file scan charge precursoradduct inchikey molecularformula moleculename hmdb cas explicitretentiontime explicitretentiontimewindow MW MolecularIon productformula fragMass productcharge QEP1_2021_0823_RJ_26_2cd55prm.raw 4622 1 [M+H] CHJJGSNFBQVOTG-UHFFFAOYSA-N C2H7N3 METHYLGUANIDINE HMDB01522 6.7 1 73.06399724 74.07182224 QEP1_2021_0823_RJ_26_2cd55prm.raw 4622 1 [M+H] CHJJGSNFBQVOTG-UHFFFAOYSA-N C2H7N3 METHYLGUANIDINE HMDB01522 6.7 1 73.06399724 74.07182224 QEP1_2021_0823_RJ_26_2cd55prm.raw 4622 1 [M+H] CHJJGSNFBQVOTG-UHFFFAOYSA-N C2H7N3 METHYLGUANIDINE HMDB01522 6.7 1 73.06399724 74.07182224 C2H5N2 57.045271 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 5909 1 [M+H] XFNJVJPLKCPIBV-UHFFFAOYSA-N C3H10N2 "1,3-DIAMINOPROPANE" HMDB00002 8.9 2 74.08439833 75.09222333 QEP1_2021_0823_RJ_31_2ef55prm.raw 5909 1 [M+H] XFNJVJPLKCPIBV-UHFFFAOYSA-N C3H10N2 "1,3-DIAMINOPROPANE" HMDB00002 8.9 2 74.08439833 75.09222333 QEP1_2021_0823_RJ_31_2ef55prm.raw 5909 1 [M+H] XFNJVJPLKCPIBV-UHFFFAOYSA-N C3H10N2 "1,3-DIAMINOPROPANE" HMDB00002 8.9 2 74.08439833 75.09222333 C3H8N 58.0656708 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3082 1 [M+H] DHMQDGOQFOQNFH-UHFFFAOYSA-N C2H5NO2 GLYCINE HMDB00123 4.5 2 75.03202841 76.03985341 QEP1_2021_0823_RJ_11_1cd55prm.raw 3082 1 [M+H] DHMQDGOQFOQNFH-UHFFFAOYSA-N C2H5NO2 GLYCINE HMDB00123 4.5 2 75.03202841 76.03985341 QEP1_2021_0823_RJ_11_1cd55prm.raw 3082 1 [M+H] DHMQDGOQFOQNFH-UHFFFAOYSA-N C2H5NO2 GLYCINE HMDB00123 4.5 2 75.03202841 76.03985341 QEP1_2021_0823_RJ_06_1ab55prm.raw 2877 1 [M+H] KFFQABQEJATQAT-UHFFFAOYSA-N CH4N2S THIOUREA HMDB34155 4.2 1 76.00951883 77.01734383 QEP1_2021_0823_RJ_06_1ab55prm.raw 2877 1 [M+H] KFFQABQEJATQAT-UHFFFAOYSA-N CH4N2S THIOUREA HMDB34155 4.2 1 76.00951883 77.01734383 QEP1_2021_0823_RJ_06_1ab55prm.raw 2877 1 [M+H] KFFQABQEJATQAT-UHFFFAOYSA-N CH4N2S THIOUREA HMDB34155 4.2 1 76.00951883 77.01734383 CNSH2 59.9907952 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6263 1 [M+H] KIDHWZJUCRJVML-UHFFFAOYSA-N C4H12N2 PUTRESCINE HMDB01414 9 1 88.10004839 89.10787339 QEP1_2021_0823_RJ_26_2cd55prm.raw 6263 1 [M+H] KIDHWZJUCRJVML-UHFFFAOYSA-N C4H12N2 PUTRESCINE HMDB01414 9 1 88.10004839 89.10787339 C4H10N 72.08132 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6263 1 [M+H] KIDHWZJUCRJVML-UHFFFAOYSA-N C4H12N2 PUTRESCINE HMDB01414 9 1 88.10004839 89.10787339 C4H7 55.0547722 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3475 1 [M+H] QNAYBMKLOCPYGJ-REOHCLBHSA-N C3H7NO2 "L-ALANINE,SARCOSINE" HMDB00161 5 2 89.04767847 90.05550347 QEP1_2021_0823_RJ_16_1ef55prm.raw 3475 1 [M+H] QNAYBMKLOCPYGJ-REOHCLBHSA-N C3H7NO2 "L-ALANINE,SARCOSINE" HMDB00161 5 2 89.04767847 90.05550347 QEP1_2021_0823_RJ_16_1ef55prm.raw 3475 1 [M+H] QNAYBMKLOCPYGJ-REOHCLBHSA-N C3H7NO2 "L-ALANINE,SARCOSINE" HMDB00161 5 2 89.04767847 90.05550347 QEP1_2021_0823_RJ_86_5cd55prm.raw 3725 1 [M+H] UCMIRNVEIXFBKS-UHFFFAOYSA-N C3H7NO2 BETA-ALANINE HMDB00056 5.6 2 89.047679 90.055504 QEP1_2021_0823_RJ_86_5cd55prm.raw 3725 1 [M+H] UCMIRNVEIXFBKS-UHFFFAOYSA-N C3H7NO2 BETA-ALANINE HMDB00056 5.6 2 89.047679 90.055504 C3H6NO 72.0449366 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 3725 1 [M+H] UCMIRNVEIXFBKS-UHFFFAOYSA-N C3H7NO2 BETA-ALANINE HMDB00056 5.6 2 89.047679 90.055504 C2H5O2 61.028953 1 QEP1_2021_0823_RJ_91_5ef55prm.raw na 1 [M+H] UBQKCCHYAOITMY-UHFFFAOYSA-N C5H5NO 2-HYDROXYPYRIDINE HMDB13751 7.35 2 95.03711379 96.04493879 QEP1_2021_0823_RJ_91_5ef55prm.raw na 1 [M+H] UBQKCCHYAOITMY-UHFFFAOYSA-N C5H5NO 2-HYDROXYPYRIDINE HMDB13751 7.35 2 95.03711379 96.04493879 QEP1_2021_0823_RJ_91_5ef55prm.raw na 1 [M+H] UBQKCCHYAOITMY-UHFFFAOYSA-N C5H5NO 2-HYDROXYPYRIDINE HMDB13751 7.35 2 95.03711379 96.04493879 C5H4N 78.0343724 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7822 1 [M+H] OZJPLYNZGCXSJM-UHFFFAOYSA-N C5H8O2 5-VALEROLACTONE 542-28-9 11.3 0.5 100.05243 101.060255 C5H7O 83.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7822 1 [M+H] OZJPLYNZGCXSJM-UHFFFAOYSA-N C5H8O2 5-VALEROLACTONE 542-28-9 11.3 0.5 100.05243 101.060255 C3H7O 59.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7822 1 [M+H] OZJPLYNZGCXSJM-UHFFFAOYSA-N C5H8O2 5-VALEROLACTONE 542-28-9 11.3 0.5 100.05243 101.060255 C4H7 55.0547722 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3837 1 [M+H] PAJPWUMXBYXFCZ-UHFFFAOYSA-N C4H7NO2 1-AMINOCYCLOPROPANECARBOXYLATE HMDB36458 5.68 0.5 101.0476785 102.0555035 QEP1_2021_0823_RJ_31_2ef55prm.raw 3837 1 [M+H] PAJPWUMXBYXFCZ-UHFFFAOYSA-N C4H7NO2 1-AMINOCYCLOPROPANECARBOXYLATE HMDB36458 5.68 0.5 101.0476785 102.0555035 C3H8NO 74.0605858 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3837 1 [M+H] PAJPWUMXBYXFCZ-UHFFFAOYSA-N C4H7NO2 1-AMINOCYCLOPROPANECARBOXYLATE HMDB36458 5.68 0.5 101.0476785 102.0555035 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 6700 1 [M+H] VHRGRCVQAFMJIZ-UHFFFAOYSA-N C5H14N2 CADAVERINE HMDB02322 10.67 0.5 102.1156985 103.1235235 QEP1_2021_0823_RJ_71_4ef55prm.raw 6700 1 [M+H] VHRGRCVQAFMJIZ-UHFFFAOYSA-N C5H14N2 CADAVERINE HMDB02322 10.67 0.5 102.1156985 103.1235235 C5H12N 86.0969692 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 6700 1 [M+H] VHRGRCVQAFMJIZ-UHFFFAOYSA-N C5H14N2 CADAVERINE HMDB02322 10.67 0.5 102.1156985 103.1235235 C5H9 69.0704214 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 3922 1 [M+H] FUOOLUPWFVMBKG-UHFFFAOYSA-N C4H9NO2 2-AMINOISOBUTYRATE HMDB01906 5.8 0.5 103.0633285 104.0711535 QEP1_2021_0823_RJ_66_4cd55prm.raw 3922 1 [M+H] FUOOLUPWFVMBKG-UHFFFAOYSA-N C4H9NO2 2-AMINOISOBUTYRATE HMDB01906 5.8 0.5 103.0633285 104.0711535 C3H7O 59.0496872 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 3922 1 [M+H] FUOOLUPWFVMBKG-UHFFFAOYSA-N C4H9NO2 2-AMINOISOBUTYRATE HMDB01906 5.8 0.5 103.0633285 104.0711535 C3H8N 58.0656708 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4558 1 [M+H] QCHPKSFMDHPSNR-UHFFFAOYSA-N C4H9NO2 AMINOISOBUTANOATE HMDB03911 6.6 1 103.0633285 104.0711535 C4H8NO 86.0605858 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4558 1 [M+H] QCHPKSFMDHPSNR-UHFFFAOYSA-N C4H9NO2 AMINOISOBUTANOATE HMDB03911 6.6 1 103.0633285 104.0711535 C3H7O2 75.0446022 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4558 1 [M+H] QCHPKSFMDHPSNR-UHFFFAOYSA-N C4H9NO2 AMINOISOBUTANOATE HMDB03911 6.6 1 103.0633285 104.0711535 C3H5O 57.034038 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4103 1 [M+H] BTCSSZJGUNDROE-UHFFFAOYSA-N C4H9NO2 GAMMA-AMINOBUTYRATE HMDB00112 6 1 103.0633285 104.0711535 C4O2H7 87.0446022 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4103 1 [M+H] BTCSSZJGUNDROE-UHFFFAOYSA-N C4H9NO2 GAMMA-AMINOBUTYRATE HMDB00112 6 1 103.0633285 104.0711535 C4H8NO 86.0605858 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4103 1 [M+H] BTCSSZJGUNDROE-UHFFFAOYSA-N C4H9NO2 GAMMA-AMINOBUTYRATE HMDB00112 6 1 103.0633285 104.0711535 C4OH5 69.034038 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 4202 1 [M+] OEYIOHPDSNJKLS-UHFFFAOYSA-N C5H14NO CHOLINE HMDB00097 6.1 1 104.1075391 104.1075391 QEP1_2021_0823_RJ_61_4ab55prm.raw 4202 1 [M+] OEYIOHPDSNJKLS-UHFFFAOYSA-N C5H14NO CHOLINE HMDB00097 6.1 1 104.1075391 104.1075391 C3H10N 60.08132 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 4202 1 [M+] OEYIOHPDSNJKLS-UHFFFAOYSA-N C5H14NO CHOLINE HMDB00097 6.1 1 104.1075391 104.1075391 C3H8N 58.0656708 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 3591 1 [M+H] PECYZEOJVXMISF-REOHCLBHSA-N C3H8N2O2 "2,3-DIAMINOPROPIONATE" HMDB02006 5.4 1.5 104.0585775 105.0664025 C2H6NO2 76.0398516 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 3591 1 [M+H] PECYZEOJVXMISF-REOHCLBHSA-N C3H8N2O2 "2,3-DIAMINOPROPIONATE" HMDB02006 5.4 1.5 104.0585775 105.0664025 C3H4NO 70.0292874 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 3591 1 [M+H] PECYZEOJVXMISF-REOHCLBHSA-N C3H8N2O2 "2,3-DIAMINOPROPIONATE" HMDB02006 5.4 1.5 104.0585775 105.0664025 C2H7N2 59.0609202 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 12002 1 [M+H-H2O] WAPNOHKVXSQRPX-UHFFFAOYSA-N C8H10O 1-PHENYLETHANOL HMDB32619 17.6 0.5 122.0731649 105.0704257 QEP1_2021_0823_RJ_106_6cd55prm.raw 12002 1 [M+H-H2O] WAPNOHKVXSQRPX-UHFFFAOYSA-N C8H10O 1-PHENYLETHANOL HMDB32619 17.6 0.5 122.0731649 105.0704257 QEP1_2021_0823_RJ_106_6cd55prm.raw 12002 1 [M+H-H2O] WAPNOHKVXSQRPX-UHFFFAOYSA-N C8H10O 1-PHENYLETHANOL HMDB32619 17.6 0.5 122.0731649 105.0704257 C6H7 79.0547722 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 2954 1 [M+H] MTCFGRXMJLQNBG-REOHCLBHSA-N C3H7NO3 SERINE HMDB00187 4.41 2 105.0425931 106.0504181 QEP1_2021_0823_RJ_06_1ab55prm.raw 2954 1 [M+H] MTCFGRXMJLQNBG-REOHCLBHSA-N C3H7NO3 SERINE HMDB00187 4.41 2 105.0425931 106.0504181 C3NOH4 70.0292874 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 2954 1 [M+H] MTCFGRXMJLQNBG-REOHCLBHSA-N C3H7NO3 SERINE HMDB00187 4.41 2 105.0425931 106.0504181 C2NOH6 60.0449366 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3821 1 [M+H] ZBCBWPMODOFKDW-UHFFFAOYSA-N C4H11NO2 DIETHANOLAMINE HMDB04437 5.7 2 105.0789786 106.0868036 QEP1_2021_0823_RJ_16_1ef55prm.raw 3821 1 [M+H] ZBCBWPMODOFKDW-UHFFFAOYSA-N C4H11NO2 DIETHANOLAMINE HMDB04437 5.7 2 105.0789786 106.0868036 QEP1_2021_0823_RJ_16_1ef55prm.raw 3821 1 [M+H] ZBCBWPMODOFKDW-UHFFFAOYSA-N C4H11NO2 DIETHANOLAMINE HMDB04437 5.7 2 105.0789786 106.0868036 C4H8N 70.0656708 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 7536 1 [M+H] WRHZVMBBRYBTKZ-UHFFFAOYSA-N C5H5NO2 PYRROLE-2-CARBOXYLATE HMDB04230 11.2 0.5 111.0320284 112.0398534 C5H4NO 94.0292874 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 7536 1 [M+H] WRHZVMBBRYBTKZ-UHFFFAOYSA-N C5H5NO2 PYRROLE-2-CARBOXYLATE HMDB04230 11.2 0.5 111.0320284 112.0398534 C4H6N 68.0500216 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 7536 1 [M+H] WRHZVMBBRYBTKZ-UHFFFAOYSA-N C5H5NO2 PYRROLE-2-CARBOXYLATE HMDB04230 11.2 0.5 111.0320284 112.0398534 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4606 1 [M+H] OPTASPLRGRRNAP-UHFFFAOYSA-N C4H5N3O CYTOSINE HMDB00630 6.7 1 111.0432618 112.0510868 C3N2H5 69.045271 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4606 1 [M+H] OPTASPLRGRRNAP-UHFFFAOYSA-N C4H5N3O CYTOSINE HMDB00630 6.7 1 111.0432618 112.0510868 C3H2NO 68.0136382 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4606 1 [M+H] OPTASPLRGRRNAP-UHFFFAOYSA-N C4H5N3O CYTOSINE HMDB00630 6.7 1 111.0432618 112.0510868 C3H3N2 67.0296218 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7082 1 [M+H] NTYJJOPFIAHURM-UHFFFAOYSA-N C5H9N3 HISTAMINE HMDB00870 10.4 0.5 111.0796473 112.0874723 C5H7N2 95.0609202 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7082 1 [M+H] NTYJJOPFIAHURM-UHFFFAOYSA-N C5H9N3 HISTAMINE HMDB00870 10.4 0.5 111.0796473 112.0874723 C4H7N2 83.0609202 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7082 1 [M+H] NTYJJOPFIAHURM-UHFFFAOYSA-N C5H9N3 HISTAMINE HMDB00870 10.4 0.5 111.0796473 112.0874723 C4H6N 68.0500216 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 6075 1 [M+H-H2O] LVHBHZANLOWSRM-UHFFFAOYSA-N C5H6O4 ITACONATE HMDB02092 9.13 1 130.0266087 113.0238695 QEP1_2021_0823_RJ_101_6ab55prm.raw 6075 1 [M+H-H2O] LVHBHZANLOWSRM-UHFFFAOYSA-N C5H6O4 ITACONATE HMDB02092 9.13 1 130.0266087 113.0238695 C4H5O2 85.028953 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 6075 1 [M+H-H2O] LVHBHZANLOWSRM-UHFFFAOYSA-N C5H6O4 ITACONATE HMDB02092 9.13 1 130.0266087 113.0238695 C3H5O 57.034038 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3339 1 [M+H] ISAKRJDGNUQOIC-UHFFFAOYSA-N C4H4N2O2 URACIL HMDB00300 4.8 2 112.0272774 113.0351024 QEP1_2021_0823_RJ_16_1ef55prm.raw 3339 1 [M+H] ISAKRJDGNUQOIC-UHFFFAOYSA-N C4H4N2O2 URACIL HMDB00300 4.8 2 112.0272774 113.0351024 C4H2NO2 96.0085532 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3339 1 [M+H] ISAKRJDGNUQOIC-UHFFFAOYSA-N C4H4N2O2 URACIL HMDB00300 4.8 2 112.0272774 113.0351024 C3NOH4 70.0292874 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 13336 1 [M+H] WSWCOQWTEOXDQX-MQQKCMAXSA-N C6H8O2 SORBATE HMDB29581 19.5 0.5 112.0524295 113.0602545 C6H7O 95.0496872 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 13336 1 [M+H] WSWCOQWTEOXDQX-MQQKCMAXSA-N C6H8O2 SORBATE HMDB29581 19.5 0.5 112.0524295 113.0602545 C5H7 67.0547722 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 13336 1 [M+H] WSWCOQWTEOXDQX-MQQKCMAXSA-N C6H8O2 SORBATE HMDB29581 19.5 0.5 112.0524295 113.0602545 C5H5 65.039123 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4493 1 [M+H] DDRJAANPRJIHGJ-UHFFFAOYSA-N C4H7N3O CREATININE HMDB00562 6.5 1 113.0589119 114.0667369 QEP1_2021_0823_RJ_11_1cd55prm.raw 4493 1 [M+H] DDRJAANPRJIHGJ-UHFFFAOYSA-N C4H7N3O CREATININE HMDB00562 6.5 1 113.0589119 114.0667369 C3H8N3 86.0718188 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4493 1 [M+H] DDRJAANPRJIHGJ-UHFFFAOYSA-N C4H7N3O CREATININE HMDB00562 6.5 1 113.0589119 114.0667369 C3H6NO 72.0449366 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 5591 1 [M+H-H2O] JFCQEDHGNNZCLN-UHFFFAOYSA-N C5H8O4 GLUTARATE HMDB00661 8.24 1.5 132.0422587 115.0395195 QEP1_2021_0823_RJ_91_5ef55prm.raw 5591 1 [M+H-H2O] JFCQEDHGNNZCLN-UHFFFAOYSA-N C5H8O4 GLUTARATE HMDB00661 8.24 1.5 132.0422587 115.0395195 QEP1_2021_0823_RJ_91_5ef55prm.raw 5591 1 [M+H-H2O] JFCQEDHGNNZCLN-UHFFFAOYSA-N C5H8O4 GLUTARATE HMDB00661 8.24 1.5 132.0422587 115.0395195 C4H7O2 87.0446022 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3271 1 [M+H] OIVLITBTBDPEFK-UHFFFAOYSA-N C4H6N2O2 DIHYDROURACIL HMDB00076 4.6 2 114.0429274 115.0507524 QEP1_2021_0823_RJ_16_1ef55prm.raw 3271 1 [M+H] OIVLITBTBDPEFK-UHFFFAOYSA-N C4H6N2O2 DIHYDROURACIL HMDB00076 4.6 2 114.0429274 115.0507524 C2N2OH5 73.040186 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3271 1 [M+H] OIVLITBTBDPEFK-UHFFFAOYSA-N C4H6N2O2 DIHYDROURACIL HMDB00076 4.6 2 114.0429274 115.0507524 C3H3O 55.0183888 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3778 1 [M+H] ONIBWKKTOPOVIA-BYPYZUCNSA-N C5H9NO2 PROLINE HMDB00162 5.72 0.5 115.0633285 116.0711535 QEP1_2021_0823_RJ_16_1ef55prm.raw 3778 1 [M+H] ONIBWKKTOPOVIA-BYPYZUCNSA-N C5H9NO2 PROLINE HMDB00162 5.72 0.5 115.0633285 116.0711535 QEP1_2021_0823_RJ_16_1ef55prm.raw 3778 1 [M+H] ONIBWKKTOPOVIA-BYPYZUCNSA-N C5H9NO2 PROLINE HMDB00162 5.72 0.5 115.0633285 116.0711535 C4NH8 70.0656708 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 5013 1 [M+H] KIWQWJKWBHZMDT-UHFFFAOYSA-N C4H7NOS HOMOCYSTEINE THIOLACTONE HMDB02287 7.3 1 117.0248345 118.0326595 C3H8NS 90.0377428 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 5013 1 [M+H] KIWQWJKWBHZMDT-UHFFFAOYSA-N C4H7NOS HOMOCYSTEINE THIOLACTONE HMDB02287 7.3 1 117.0248345 118.0326595 C3H5S 73.011195 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 5013 1 [M+H] KIWQWJKWBHZMDT-UHFFFAOYSA-N C4H7NOS HOMOCYSTEINE THIOLACTONE HMDB02287 7.3 1 117.0248345 118.0326595 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 2960 1 [M+H] OKJIRPAQVSHGFK-UHFFFAOYSA-N C4H7NO3 N-ACETYLGLYCINE HMDB00532 4.5 2 117.0425931 118.0504181 QEP1_2021_0823_RJ_36_2gh55prm.raw 2960 1 [M+H] OKJIRPAQVSHGFK-UHFFFAOYSA-N C4H7NO3 N-ACETYLGLYCINE HMDB00532 4.5 2 117.0425931 118.0504181 QEP1_2021_0823_RJ_36_2gh55prm.raw 2960 1 [M+H] OKJIRPAQVSHGFK-UHFFFAOYSA-N C4H7NO3 N-ACETYLGLYCINE HMDB00532 4.5 2 117.0425931 118.0504181 C2H6NO2 76.0398516 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3944 1 [M+H] BPMFZUMJYQTVII-UHFFFAOYSA-N C3H7N3O2 GUANIDINOACETATE HMDB00128 5.7 0.5 117.0538265 118.0616515 C2H6NO2 76.0398516 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3944 1 [M+H] BPMFZUMJYQTVII-UHFFFAOYSA-N C3H7N3O2 GUANIDINOACETATE HMDB00128 5.7 0.5 117.0538265 118.0616515 C2H5N2O 73.040186 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3944 1 [M+H] BPMFZUMJYQTVII-UHFFFAOYSA-N C3H7N3O2 GUANIDINOACETATE HMDB00128 5.7 0.5 117.0538265 118.0616515 C2H6N3 72.0561696 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 5476 1 [M+H] JJMDCOVWQOJGCB-UHFFFAOYSA-N C5H11NO2 5-AMINOPENTANOATE HMDB03355 8 0.5 117.0789786 118.0868036 C5H7O 83.0496872 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 5476 1 [M+H] JJMDCOVWQOJGCB-UHFFFAOYSA-N C5H11NO2 5-AMINOPENTANOATE HMDB03355 8 0.5 117.0789786 118.0868036 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 5476 1 [M+H] JJMDCOVWQOJGCB-UHFFFAOYSA-N C5H11NO2 5-AMINOPENTANOATE HMDB03355 8 0.5 117.0789786 118.0868036 C4H7 55.0547722 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3137 1 [M+H] KWIUHFFTVRNATP-UHFFFAOYSA-N C5H11NO2 BETAINE HMDB00043 4.6 2 117.0789786 118.0868036 QEP1_2021_0823_RJ_21_2ab55prm.raw 3137 1 [M+H] KWIUHFFTVRNATP-UHFFFAOYSA-N C5H11NO2 BETAINE HMDB00043 4.6 2 117.0789786 118.0868036 C3H9N 59.0734954 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3137 1 [M+H] KWIUHFFTVRNATP-UHFFFAOYSA-N C5H11NO2 BETAINE HMDB00043 4.6 2 117.0789786 118.0868036 C3H8N 58.0656708 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 5014 1 [M+H] SNDPXSYFESPGGJ-SCSAIBSYSA-N C5H11NO2 NORVALINE HMDB13716 7.4 1 117.0789786 118.0868036 QEP1_2021_0823_RJ_31_2ef55prm.raw 5014 1 [M+H] SNDPXSYFESPGGJ-SCSAIBSYSA-N C5H11NO2 NORVALINE HMDB13716 7.4 1 117.0789786 118.0868036 C4H10N 72.08132 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 5014 1 [M+H] SNDPXSYFESPGGJ-SCSAIBSYSA-N C5H11NO2 NORVALINE HMDB13716 7.4 1 117.0789786 118.0868036 C4H7 55.0547722 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4884 1 [M+H] KZSNJWFQEVHDMF-BYPYZUCNSA-N C5H11NO2 VALINE HMDB00883 7.05 0.5 117.0789786 118.0868036 QEP1_2021_0823_RJ_26_2cd55prm.raw 4884 1 [M+H] KZSNJWFQEVHDMF-BYPYZUCNSA-N C5H11NO2 VALINE HMDB00883 7.05 0.5 117.0789786 118.0868036 C4H10N 72.08132 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4884 1 [M+H] KZSNJWFQEVHDMF-BYPYZUCNSA-N C5H11NO2 VALINE HMDB00883 7.05 0.5 117.0789786 118.0868036 C4H7 55.0547722 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 6611 1 [M+H] BTCSSZJGUNDROE-UHFFFAOYSA-N C5H11NO2 METHYL 4-AMINOBUTYRATE HMDB00112 9.8 0.5 117.07898 118.086805 C4H8NO 86.0605858 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 6611 1 [M+H] BTCSSZJGUNDROE-UHFFFAOYSA-N C5H11NO2 METHYL 4-AMINOBUTYRATE HMDB00112 9.8 0.5 117.07898 118.086805 C4H5O 69.034038 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 6611 1 [M+H] BTCSSZJGUNDROE-UHFFFAOYSA-N C5H11NO2 METHYL 4-AMINOBUTYRATE HMDB00112 9.8 0.5 117.07898 118.086805 C3H7O 59.0496872 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3257 1 [M+H] AYFVYJQAPQTCCC-GBXIJSLDSA-N C4H9NO3 "THREONINE,HOMOSERINE,ALLOTHREONINE" HMDB00167 4.8 2 119.0582432 120.0660682 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3257 1 [M+H] AYFVYJQAPQTCCC-GBXIJSLDSA-N C4H9NO3 "THREONINE,HOMOSERINE,ALLOTHREONINE" HMDB00167 4.8 2 119.0582432 120.0660682 C3NOH8 74.0605858 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3257 1 [M+H] AYFVYJQAPQTCCC-GBXIJSLDSA-N C4H9NO3 "THREONINE,HOMOSERINE,ALLOTHREONINE" HMDB00167 4.8 2 119.0582432 120.0660682 C3NH6 56.0500216 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9914 1 [M+H-H2O] ULSIYEODSMZIPX-UHFFFAOYSA-N C8H11NO PHENYLETHANOLAMINE HMDB01065 14.4 0.5 137.084064 120.0813248 C8H7 103.0547722 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9914 1 [M+H-H2O] ULSIYEODSMZIPX-UHFFFAOYSA-N C8H11NO PHENYLETHANOLAMINE HMDB01065 14.4 0.5 137.084064 120.0813248 C7H9 93.0704214 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9914 1 [M+H-H2O] ULSIYEODSMZIPX-UHFFFAOYSA-N C8H11NO PHENYLETHANOLAMINE HMDB01065 14.4 0.5 137.084064 120.0813248 C7H7 91.0547722 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9914 1 [M+H] ULSIYEODSMZIPX-UHFFFAOYSA-N C8H11NO PHENYLETHANOLAMINE-WATER HMDB01065 18.1 0.5 119.0734998 120.0813248 C8H7 103.0547722 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9914 1 [M+H] ULSIYEODSMZIPX-UHFFFAOYSA-N C8H11NO PHENYLETHANOLAMINE-WATER HMDB01065 18.1 0.5 119.0734998 120.0813248 C7H9 93.0704214 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9914 1 [M+H] ULSIYEODSMZIPX-UHFFFAOYSA-N C8H11NO PHENYLETHANOLAMINE-WATER HMDB01065 18.1 0.5 119.0734998 120.0813248 C7H7 91.0547722 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10971 1 [M+H-H2O] IJFXRHURBJZNAO-UHFFFAOYSA-N C7H6O3 3-HYDROXYBENZOATE HMDB02466 16 1 138.0316941 121.0289549 QEP1_2021_0823_RJ_106_6cd55prm.raw 10971 1 [M+H-H2O] IJFXRHURBJZNAO-UHFFFAOYSA-N C7H6O3 3-HYDROXYBENZOATE HMDB02466 16 1 138.0316941 121.0289549 C6H5O 93.034038 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10971 1 [M+H-H2O] IJFXRHURBJZNAO-UHFFFAOYSA-N C7H6O3 3-HYDROXYBENZOATE HMDB02466 16 1 138.0316941 121.0289549 C5H5 65.039123 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 5358 1 [M+H] KDCGOANMDULRCW-UHFFFAOYSA-N C5H4N4 PURINE HMDB01366 7.8 1 120.0435961 121.0514211 QEP1_2021_0823_RJ_06_1ab55prm.raw 5358 1 [M+H] KDCGOANMDULRCW-UHFFFAOYSA-N C5H4N4 PURINE HMDB01366 7.8 1 120.0435961 121.0514211 C4N3H4 94.0405204 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 5358 1 [M+H] KDCGOANMDULRCW-UHFFFAOYSA-N C5H4N4 PURINE HMDB01366 7.8 1 120.0435961 121.0514211 C3N2H3 67.0296218 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 8777 1 [M+H-NH3] DZGWFCGJZKJUFP-UHFFFAOYSA-N C8H11NO TYRAMINE HMDB00306 12.8 0.5 137.084064 121.065339 C8H7 103.0547722 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 8777 1 [M+H-NH3] DZGWFCGJZKJUFP-UHFFFAOYSA-N C8H11NO TYRAMINE HMDB00306 12.8 0.5 137.084064 121.065339 C7H9 93.0704214 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 8777 1 [M+H-NH3] DZGWFCGJZKJUFP-UHFFFAOYSA-N C8H11NO TYRAMINE HMDB00306 12.8 0.5 137.084064 121.065339 C7H7 91.0547722 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 11950 1 [M+H] BHHGXPLMPWCGHP-UHFFFAOYSA-N C8H11N PHENETHYLAMINE HMDB12275 17.5 0.5 121.0891494 122.0969744 C8H9 105.0704214 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 11950 1 [M+H] BHHGXPLMPWCGHP-UHFFFAOYSA-N C8H11N PHENETHYLAMINE HMDB12275 17.5 0.5 121.0891494 122.0969744 C8H7 103.0547722 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 11950 1 [M+H] BHHGXPLMPWCGHP-UHFFFAOYSA-N C8H11N PHENETHYLAMINE HMDB12275 17.5 0.5 121.0891494 122.0969744 C6H7 79.0547722 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 6549 1 [M+H] RGHHSNMVTDWUBI-UHFFFAOYSA-N C7H6O2 4-HYDROXYBENZALDEHYDE HMDB11718 9.5 1 122.0367794 123.0446044 C6H7O 95.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 6549 1 [M+H] RGHHSNMVTDWUBI-UHFFFAOYSA-N C7H6O2 4-HYDROXYBENZALDEHYDE HMDB11718 9.5 1 122.0367794 123.0446044 C6H5 77.039123 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 6549 1 [M+H] RGHHSNMVTDWUBI-UHFFFAOYSA-N C7H6O2 4-HYDROXYBENZALDEHYDE HMDB11718 9.5 1 122.0367794 123.0446044 C4H3 51.0234738 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 10179 1 [M+H] WPYMKLBDIGXBTP-UHFFFAOYSA-N C7H6O2 BENZOATE HMDB01870 15 0.5 122.0367794 123.0446044 C6H7O 95.0496872 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 10179 1 [M+H] WPYMKLBDIGXBTP-UHFFFAOYSA-N C7H6O2 BENZOATE HMDB01870 15 0.5 122.0367794 123.0446044 C6H5 77.039123 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 10179 1 [M+H] WPYMKLBDIGXBTP-UHFFFAOYSA-N C7H6O2 BENZOATE HMDB01870 15 0.5 122.0367794 123.0446044 C5H7 67.0547722 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 5159 1 [M+H] DFPAKSUCGFBDDF-UHFFFAOYSA-N C6H6N2O NICOTINAMIDE HMDB01406 7.4 2 122.0480128 123.0558378 QEP1_2021_0823_RJ_16_1ef55prm.raw 5159 1 [M+H] DFPAKSUCGFBDDF-UHFFFAOYSA-N C6H6N2O NICOTINAMIDE HMDB01406 7.4 2 122.0480128 123.0558378 C5NOH6 96.0449366 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 5159 1 [M+H] DFPAKSUCGFBDDF-UHFFFAOYSA-N C6H6N2O NICOTINAMIDE HMDB01406 7.4 2 122.0480128 123.0558378 C5NH6 80.0500216 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4034 1 [M+H] PVNIIMVLHYAWGP-UHFFFAOYSA-N C6H5NO2 NICOTINATE HMDB01488 5.9 0.5 123.0320284 124.0398534 C5H6NO 96.0449366 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4034 1 [M+H] PVNIIMVLHYAWGP-UHFFFAOYSA-N C6H5NO2 NICOTINATE HMDB01488 5.9 0.5 123.0320284 124.0398534 C5NH6 80.0500216 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4034 1 [M+H] PVNIIMVLHYAWGP-UHFFFAOYSA-N C6H5NO2 NICOTINATE HMDB01488 5.9 0.5 123.0320284 124.0398534 C5NH4 78.0343724 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 2735 1 [M+H] XOAAWQZATWQOTB-UHFFFAOYSA-N C2H7NO3S TAURINE HMDB00251 3.91 1 125.0146638 126.0224888 QEP1_2021_0823_RJ_06_1ab55prm.raw 2735 1 [M+H] XOAAWQZATWQOTB-UHFFFAOYSA-N C2H7NO3S TAURINE HMDB00251 3.91 1 125.0146638 126.0224888 C2H6NO2S 108.0119236 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 2735 1 [M+H] XOAAWQZATWQOTB-UHFFFAOYSA-N C2H7NO3S TAURINE HMDB00251 3.91 1 125.0146638 126.0224888 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3423 1 [M+H] QQVDJLLNRSOCEL-UHFFFAOYSA-N C2H8NO3P (2-AMINOETHYL)PHOSPHONATE HMDB11747 5 2 125.0241796 126.0320046 C2H6O3P 109.0054556 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3423 1 [M+H] QQVDJLLNRSOCEL-UHFFFAOYSA-N C2H8NO3P (2-AMINOETHYL)PHOSPHONATE HMDB11747 5 2 125.0241796 126.0320046 H4O4P 98.9847214 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3423 1 [M+H] QQVDJLLNRSOCEL-UHFFFAOYSA-N C2H8NO3P (2-AMINOETHYL)PHOSPHONATE HMDB11747 5 2 125.0241796 126.0320046 CH6O3P 97.0054556 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 5868 1 [M+H] LRSASMSXMSNRBT-UHFFFAOYSA-N C5H7N3O 5-METHYLCYTOSINE HMDB02894 8.7 0.5 125.0589119 126.0667369 C5H5N2O 109.040186 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 5868 1 [M+H] LRSASMSXMSNRBT-UHFFFAOYSA-N C5H7N3O 5-METHYLCYTOSINE HMDB02894 8.7 0.5 125.0589119 126.0667369 C4H7N2 83.0609202 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 5868 1 [M+H] LRSASMSXMSNRBT-UHFFFAOYSA-N C5H7N3O 5-METHYLCYTOSINE HMDB02894 8.7 0.5 125.0589119 126.0667369 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 7012 1 [M+H] CPAGZVLINCPJEH-UHFFFAOYSA-N C6H11N3 3-METHYLHISTAMINE HMDB01861 10.4 0.5 125.0952974 126.1031224 C6H9N2 109.0765694 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 7012 1 [M+H] CPAGZVLINCPJEH-UHFFFAOYSA-N C6H11N3 3-METHYLHISTAMINE HMDB01861 10.4 0.5 125.0952974 126.1031224 C5H9N2 97.0765694 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 7012 1 [M+H] CPAGZVLINCPJEH-UHFFFAOYSA-N C6H11N3 3-METHYLHISTAMINE HMDB01861 10.4 0.5 125.0952974 126.1031224 C5H8N2 96.0687448 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 4453 1 [M+H] PRJKNHOMHKJCEJ-UHFFFAOYSA-N C5H6N2O2 4-IMIDAZOLEACETATE HMDB02024 6.6 0.5 126.0429274 127.0507524 C4H7N2O 99.0558352 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 4453 1 [M+H] PRJKNHOMHKJCEJ-UHFFFAOYSA-N C5H6N2O2 4-IMIDAZOLEACETATE HMDB02024 6.6 0.5 126.0429274 127.0507524 C4H5N2 81.045271 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 4453 1 [M+H] PRJKNHOMHKJCEJ-UHFFFAOYSA-N C5H6N2O2 4-IMIDAZOLEACETATE HMDB02024 6.6 0.5 126.0429274 127.0507524 C3H4N 54.0343724 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 5068 1 [M+H] RWQNBRDOKXIBIV-UHFFFAOYSA-N C5H6N2O2 THYMINE HMDB00262 7.2 2 126.0429274 127.0507524 C5H4NO2 110.0242024 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 5068 1 [M+H] RWQNBRDOKXIBIV-UHFFFAOYSA-N C5H6N2O2 THYMINE HMDB00262 7.2 2 126.0429274 127.0507524 C4NOH6 84.0449366 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 5068 1 [M+H] RWQNBRDOKXIBIV-UHFFFAOYSA-N C5H6N2O2 THYMINE HMDB00262 7.2 2 126.0429274 127.0507524 C3NH6 56.0500216 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7791 1 [M+H-H2O] AQYCMVICBNBXNA-UHFFFAOYSA-N C6H10O4 2-METHYLGLUTARATE HMDB00422 11.2 0.5 146.0579088 129.0551696 C5H9O2 101.0602514 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7791 1 [M+H-H2O] AQYCMVICBNBXNA-UHFFFAOYSA-N C6H10O4 2-METHYLGLUTARATE HMDB00422 11.2 0.5 146.0579088 129.0551696 C3H7O 59.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7791 1 [M+H-H2O] AQYCMVICBNBXNA-UHFFFAOYSA-N C6H10O4 2-METHYLGLUTARATE HMDB00422 11.2 0.5 146.0579088 129.0551696 C4H7 55.0547722 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 7530 1 [M+H-H2O] XJMMNTGIMDZPMU-UHFFFAOYSA-N C6H10O4 METHYLGLUTARATE HMDB00752 11 0.5 146.0579088 129.0551696 C4H5O 69.034038 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 7530 1 [M+H-H2O] XJMMNTGIMDZPMU-UHFFFAOYSA-N C6H10O4 METHYLGLUTARATE HMDB00752 11 0.5 146.0579088 129.0551696 C3H7O 59.0496872 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 7530 1 [M+H-H2O] XJMMNTGIMDZPMU-UHFFFAOYSA-N C6H10O4 METHYLGLUTARATE HMDB00752 11 0.5 146.0579088 129.0551696 C4H7 55.0547722 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 3591 1 [M+H] ODHCTXKNWHHXJC-VKHMYHEASA-N C5H7NO3 PYROGLUTAMATE HMDB00267 5.4 1 129.0425931 130.0504181 QEP1_2021_0823_RJ_41_3ab55prm.raw 3591 1 [M+H] ODHCTXKNWHHXJC-VKHMYHEASA-N C5H7NO3 PYROGLUTAMATE HMDB00267 5.4 1 129.0425931 130.0504181 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 3591 1 [M+H] ODHCTXKNWHHXJC-VKHMYHEASA-N C5H7NO3 PYROGLUTAMATE HMDB00267 5.4 1 129.0425931 130.0504181 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 4491 1 [M+H] HXEACLLIILLPRG-YFKPBYRVSA-N C6H11NO2 PIPECOLATE HMDB00716 6.8 0.5 129.0789786 130.0868036 QEP1_2021_0823_RJ_36_2gh55prm.raw 4491 1 [M+H] HXEACLLIILLPRG-YFKPBYRVSA-N C6H11NO2 PIPECOLATE HMDB00716 6.8 0.5 129.0789786 130.0868036 C5H10N 84.08132 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 4491 1 [M+H] HXEACLLIILLPRG-YFKPBYRVSA-N C6H11NO2 PIPECOLATE HMDB00716 6.8 0.5 129.0789786 130.0868036 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 4468 1 [M+H] BKAJNAXTPSGJCU-UHFFFAOYSA-N C6H10O3 KETOLEUCINE HMDB00695 6.9 2 130.0629942 131.0708192 C4H9O2 89.0602514 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 4468 1 [M+H] BKAJNAXTPSGJCU-UHFFFAOYSA-N C6H10O3 KETOLEUCINE HMDB00695 6.9 2 130.0629942 131.0708192 C4H7O 71.0496872 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 4468 1 [M+H] BKAJNAXTPSGJCU-UHFFFAOYSA-N C6H10O3 KETOLEUCINE HMDB00695 6.9 2 130.0629942 131.0708192 C5H9 69.0704214 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5683 1 [M+H] KLZGKIDSEJWEDW-UHFFFAOYSA-N C6H14N2O N-ACETYLPUTRESCINE HMDB02064 8.3 1 130.1106131 131.1184381 C4H10N 72.08132 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5683 1 [M+H] KLZGKIDSEJWEDW-UHFFFAOYSA-N C6H14N2O N-ACETYLPUTRESCINE HMDB02064 8.3 1 130.1106131 131.1184381 C3H6NO 72.0449366 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5683 1 [M+H] KLZGKIDSEJWEDW-UHFFFAOYSA-N C6H14N2O N-ACETYLPUTRESCINE HMDB02064 8.3 1 130.1106131 131.1184381 C2H6NO 60.0449366 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 7858 1 [M+H] QYPPJABKJHAVHS-UHFFFAOYSA-N C5H14N4 AGMATINE SULFATE HMDB0001432 11.8 0.5 130.121846 131.129671 C5H9N2 97.0765694 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 7858 1 [M+H] QYPPJABKJHAVHS-UHFFFAOYSA-N C5H14N4 AGMATINE SULFATE HMDB0001432 11.8 0.5 130.121846 131.129671 C4H10N 72.08132 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 7858 1 [M+H] QYPPJABKJHAVHS-UHFFFAOYSA-N C5H14N4 AGMATINE SULFATE HMDB0001432 11.8 0.5 130.121846 131.129671 CH6N3 60.0561696 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4118 1 [M+H] ZGXJTSGNIOSYLO-UHFFFAOYSA-N C5H9NO3 5-AMINOLEVULINATE HMDB01149 6.1 1 131.0582432 132.0660682 C4H8NO 86.0605858 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4118 1 [M+H] ZGXJTSGNIOSYLO-UHFFFAOYSA-N C5H9NO3 5-AMINOLEVULINATE HMDB01149 6.1 1 131.0582432 132.0660682 C4H6N 68.0500216 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4118 1 [M+H] ZGXJTSGNIOSYLO-UHFFFAOYSA-N C5H9NO3 5-AMINOLEVULINATE HMDB01149 6.1 1 131.0582432 132.0660682 C3H3O 55.0183888 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3891 1 [M+H] KTHDTJVBEPMMGL-VKHMYHEASA-N C5H9NO3 N-ACETYLALANINE HMDB00766 5.8 1.5 131.0582432 132.0660682 QEP1_2021_0823_RJ_56_3gh55prm.raw 3891 1 [M+H] KTHDTJVBEPMMGL-VKHMYHEASA-N C5H9NO3 N-ACETYLALANINE HMDB00766 5.8 1.5 131.0582432 132.0660682 C3H8NO2 90.0555008 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3891 1 [M+H] KTHDTJVBEPMMGL-VKHMYHEASA-N C5H9NO3 N-ACETYLALANINE HMDB00766 5.8 1.5 131.0582432 132.0660682 C4H8NO 86.0605858 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 2884 1 [M+H] PMMYEEVYMWASQN-DMTCNVIQSA-N C5H9NO3 "TRANS-4-HYDROXY-L-PROLINE,CIS-4-HYDROXY-D-PROLINE" HMDB06055 4.4 2 131.0582432 132.0660682 C4H8NO 86.0605858 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 2884 1 [M+H] PMMYEEVYMWASQN-DMTCNVIQSA-N C5H9NO3 "TRANS-4-HYDROXY-L-PROLINE,CIS-4-HYDROXY-D-PROLINE" HMDB06055 4.4 2 131.0582432 132.0660682 C4H6N 68.0500216 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 2884 1 [M+H] PMMYEEVYMWASQN-DMTCNVIQSA-N C5H9NO3 "TRANS-4-HYDROXY-L-PROLINE,CIS-4-HYDROXY-D-PROLINE" HMDB06055 4.4 2 131.0582432 132.0660682 C3H8N 58.0656708 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4103 1 [M+H] CVSVTCORWBXHQV-UHFFFAOYSA-N C4H9N3O2 CREATINE HMDB00064 5.9 0.5 131.0694765 132.0773015 QEP1_2021_0823_RJ_16_1ef55prm.raw 4103 1 [M+H] CVSVTCORWBXHQV-UHFFFAOYSA-N C4H9N3O2 CREATINE HMDB00064 5.9 0.5 131.0694765 132.0773015 C3H8NO2 90.0555008 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4103 1 [M+H] CVSVTCORWBXHQV-UHFFFAOYSA-N C4H9N3O2 CREATINE HMDB00064 5.9 0.5 131.0694765 132.0773015 C3H7N2O 87.0558352 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 7186 1 [M+H] AGPKZVBTJJNPAG-WHFBIAKZSA-N C6H13NO2 ISOLEUCINE HMDB00172 11.02 0.5 131.0946287 132.1024537 QEP1_2021_0823_RJ_06_1ab55prm.raw 7186 1 [M+H] AGPKZVBTJJNPAG-WHFBIAKZSA-N C6H13NO2 ISOLEUCINE HMDB00172 11.02 0.5 131.0946287 132.1024537 C5NH12 86.0969692 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 7186 1 [M+H] AGPKZVBTJJNPAG-WHFBIAKZSA-N C6H13NO2 ISOLEUCINE HMDB00172 11.02 0.5 131.0946287 132.1024537 C5H9 69.0704214 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 7643 1 [M+H] ROHFNLRQFUQHCH-UHFFFAOYSA-N C6H13NO2 LEUCINE HMDB00687 10.9 0.5 131.0946287 132.1024537 QEP1_2021_0823_RJ_21_2ab55prm.raw 7643 1 [M+H] ROHFNLRQFUQHCH-UHFFFAOYSA-N C6H13NO2 LEUCINE HMDB00687 10.9 0.5 131.0946287 132.1024537 C5H12N 86.0969692 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 7643 1 [M+H] ROHFNLRQFUQHCH-UHFFFAOYSA-N C6H13NO2 LEUCINE HMDB00687 10.9 0.5 131.0946287 132.1024537 C5H9 69.0704214 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7684 1 [M+H] LRQKBLKVPFOOQJ-YFKPBYRVSA-N C6H13NO2 NORLEUCINE HMDB01645 11.3 0.5 131.0946287 132.1024537 QEP1_2021_0823_RJ_61_4ab55prm.raw 7684 1 [M+H] LRQKBLKVPFOOQJ-YFKPBYRVSA-N C6H13NO2 NORLEUCINE HMDB01645 11.3 0.5 131.0946287 132.1024537 C5H12N 86.0969692 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7684 1 [M+H] LRQKBLKVPFOOQJ-YFKPBYRVSA-N C6H13NO2 NORLEUCINE HMDB01645 11.3 0.5 131.0946287 132.1024537 C5H9 69.0704214 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 11031 1 [M+H] OTBHHUPVCYLGQO-UHFFFAOYSA-N C6H17N3 NORSPERMIDINE HMDB11634 16 1 131.1422476 132.1500726 C6H12N 98.096969 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 11031 1 [M+H] OTBHHUPVCYLGQO-UHFFFAOYSA-N C6H17N3 NORSPERMIDINE HMDB11634 16 1 131.1422476 132.1500726 C4H8N 70.0656708 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 11031 1 [M+H] OTBHHUPVCYLGQO-UHFFFAOYSA-N C6H17N3 NORSPERMIDINE HMDB11634 16 1 131.1422476 132.1500726 C3H8N 58.0656708 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 2958 1 [M+H] DCXYFEDJOCDNAF-REOHCLBHSA-N C4H8N2O3 ASPARAGINE HMDB00168 4.3 2 132.0534921 133.0613171 C3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 2958 1 [M+H] DCXYFEDJOCDNAF-REOHCLBHSA-N C4H8N2O3 ASPARAGINE HMDB00168 4.3 2 132.0534921 133.0613171 C3H7N2O 87.0558352 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 2958 1 [M+H] DCXYFEDJOCDNAF-REOHCLBHSA-N C4H8N2O3 ASPARAGINE HMDB00168 4.3 2 132.0534921 133.0613171 C2H4NO2 74.0242024 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3165 1 [M+H] JSJWCHRYRHKBBW-UHFFFAOYSA-N C4H8N2O3 UREIDOPROPIONATE HMDB00026 4.7 2 132.0534921 133.0613171 C4H7N2O2 115.0507502 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3165 1 [M+H] JSJWCHRYRHKBBW-UHFFFAOYSA-N C4H8N2O3 UREIDOPROPIONATE HMDB00026 4.7 2 132.0534921 133.0613171 C3H8NO2 90.0555008 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3165 1 [M+H] JSJWCHRYRHKBBW-UHFFFAOYSA-N C4H8N2O3 UREIDOPROPIONATE HMDB00026 4.7 2 132.0534921 133.0613171 C2H5N2O 73.040186 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3909 1 [M+H] AHLPHDHHMVZTML-SCSAIBSYSA-N C5H12N2O2 "D-ORNITHINE,L-ORNITHINE" HMDB03374 5.8 0.5 132.0898776 133.0977026 QEP1_2021_0823_RJ_31_2ef55prm.raw 3909 1 [M+H] AHLPHDHHMVZTML-SCSAIBSYSA-N C5H12N2O2 "D-ORNITHINE,L-ORNITHINE" HMDB03374 5.8 0.5 132.0898776 133.0977026 C5H10NO2 116.07115 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3909 1 [M+H] AHLPHDHHMVZTML-SCSAIBSYSA-N C5H12N2O2 "D-ORNITHINE,L-ORNITHINE" HMDB03374 5.8 0.5 132.0898776 133.0977026 C4H8N 70.0656708 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3368 1 [M+H] CKLJMWTZIZZHCS-REOHCLBHSA-N C4H7NO4 ASPARTATE HMDB00191 4.8 2 133.0375077 134.0453327 QEP1_2021_0823_RJ_16_1ef55prm.raw 3368 1 [M+H] CKLJMWTZIZZHCS-REOHCLBHSA-N C4H7NO4 ASPARTATE HMDB00191 4.8 2 133.0375077 134.0453327 C3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3368 1 [M+H] CKLJMWTZIZZHCS-REOHCLBHSA-N C4H7NO4 ASPARTATE HMDB00191 4.8 2 133.0375077 134.0453327 C2H4NO2 74.0242024 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 5953 1 [M+H] FFFHZYDWPBMWHY-UHFFFAOYSA-N C4H9NO2S HOMOCYSTEINE HMDB00742 8.5 0.5 135.0353992 136.0432242 C3H8NS 90.0377428 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 5953 1 [M+H] FFFHZYDWPBMWHY-UHFFFAOYSA-N C4H9NO2S HOMOCYSTEINE HMDB00742 8.5 0.5 135.0353992 136.0432242 C3H5S 73.011195 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 5953 1 [M+H] FFFHZYDWPBMWHY-UHFFFAOYSA-N C4H9NO2S HOMOCYSTEINE HMDB00742 8.5 0.5 135.0353992 136.0432242 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 6677 1 [M+H] GFFGJBXGBJISGV-UHFFFAOYSA-N C5H5N5 ADENINE HMDB00034 9.6 0.5 135.0544952 136.0623202 QEP1_2021_0823_RJ_11_1cd55prm.raw 6677 1 [M+H] GFFGJBXGBJISGV-UHFFFAOYSA-N C5H5N5 ADENINE HMDB00034 9.6 0.5 135.0544952 136.0623202 C4H4N3 94.0405204 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 6677 1 [M+H] GFFGJBXGBJISGV-UHFFFAOYSA-N C5H5N5 ADENINE HMDB00034 9.6 0.5 135.0544952 136.0623202 C4H4N3 94.0405204 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 5799 1 [M+H-H2O] QHGUCRYDKWKLMG-QMMMGPOBSA-N C8H11NO2 P-OCTOPAMINE HMDB04825 9.05 1 153.0789786 136.0762536 C8H7O 119.0496872 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 5799 1 [M+H-H2O] QHGUCRYDKWKLMG-QMMMGPOBSA-N C8H11NO2 P-OCTOPAMINE HMDB04825 9.05 1 153.0789786 136.0762536 C7H7O 107.0496872 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 5799 1 [M+H-H2O] QHGUCRYDKWKLMG-QMMMGPOBSA-N C8H11NO2 P-OCTOPAMINE HMDB04825 9.05 1 153.0789786 136.0762536 C7H7 91.0547722 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4473 1 [M+H] FDGQSTZJBFJUBT-UHFFFAOYSA-N C5H4N4O HYPOXANTHINE HMDB00157 6.4 2 136.0385108 137.0463358 C4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4473 1 [M+H] FDGQSTZJBFJUBT-UHFFFAOYSA-N C5H4N4O HYPOXANTHINE HMDB00157 6.4 2 136.0385108 137.0463358 C4H4N3 94.0405204 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4473 1 [M+H] FDGQSTZJBFJUBT-UHFFFAOYSA-N C5H4N4O HYPOXANTHINE HMDB00157 6.4 2 136.0385108 137.0463358 C3N3H4 82.0405204 1 QEP1_2021_1216_RJ_34_mix3.raw 4990 1 [M+] LDHMAVIPBRSVRG-UHFFFAOYSA-O C7H9N2O 1-METHYLNICOTINAMIDE HMDB00699 6.7 2 137.0714879 137.0714879 C6H8NO 110.0605858 1 QEP1_2021_1216_RJ_34_mix3.raw 4990 1 [M+] LDHMAVIPBRSVRG-UHFFFAOYSA-O C7H9N2O 1-METHYLNICOTINAMIDE HMDB00699 6.7 2 137.0714879 137.0714879 C6H8N 94.0656708 1 QEP1_2021_1216_RJ_34_mix3.raw 4990 1 [M+] LDHMAVIPBRSVRG-UHFFFAOYSA-O C7H9N2O 1-METHYLNICOTINAMIDE HMDB00699 6.7 2 137.0714879 137.0714879 C6H6N 92.0500216 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7452 1 [M+H] ALYNCZNDIQEVRV-UHFFFAOYSA-N C7H7NO2 4-AMINOBENZOATE HMDB01392 10.7 1 137.0476785 138.0555035 C6H7O 95.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7452 1 [M+H] ALYNCZNDIQEVRV-UHFFFAOYSA-N C7H7NO2 4-AMINOBENZOATE HMDB01392 10.7 1 137.0476785 138.0555035 C6H8N 94.0656708 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7452 1 [M+H] ALYNCZNDIQEVRV-UHFFFAOYSA-N C7H7NO2 4-AMINOBENZOATE HMDB01392 10.7 1 137.0476785 138.0555035 C5H5 65.039123 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10985 1 [M+H] SKZKKFZAGNVIMN-UHFFFAOYSA-N C7H7NO2 "SALICYLAMIDE,ANTHRANILATE" HMDB15687 16 0.5 137.0476785 138.0555035 C7H5O2 121.028953 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10985 1 [M+H] SKZKKFZAGNVIMN-UHFFFAOYSA-N C7H7NO2 "SALICYLAMIDE,ANTHRANILATE" HMDB15687 16 0.5 137.0476785 138.0555035 C6H7O 95.0496872 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10985 1 [M+H] SKZKKFZAGNVIMN-UHFFFAOYSA-N C7H7NO2 "SALICYLAMIDE,ANTHRANILATE" HMDB15687 16 0.5 137.0476785 138.0555035 C6H5O 93.034038 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3694 1 [M+] WWNNZCOKKKDOPX-UHFFFAOYSA-N C7H7NO2 TRIGONELLINE HMDB00875 5.77 0.5 137.0476785 138.0555035 C6H8NO 110.0605858 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3694 1 [M+] WWNNZCOKKKDOPX-UHFFFAOYSA-N C7H7NO2 TRIGONELLINE HMDB00875 5.77 0.5 137.0476785 138.0555035 C6H8N 94.0656708 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3694 1 [M+] WWNNZCOKKKDOPX-UHFFFAOYSA-N C7H7NO2 TRIGONELLINE HMDB00875 5.77 0.5 137.0476785 138.0555035 C6H6N 92.0500216 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 9175 1 [M+H] FJKROLUGYXJWQN-UHFFFAOYSA-N C7H6O3 4-HYDROXYBENZOATE HMDB00500 13.75 0.5 138.0316941 139.0395191 QEP1_2021_0823_RJ_81_5ab55prm.raw 9175 1 [M+H] FJKROLUGYXJWQN-UHFFFAOYSA-N C7H6O3 4-HYDROXYBENZOATE HMDB00500 13.75 0.5 138.0316941 139.0395191 QEP1_2021_0823_RJ_81_5ab55prm.raw 9175 1 [M+H] FJKROLUGYXJWQN-UHFFFAOYSA-N C7H6O3 4-HYDROXYBENZOATE HMDB00500 13.75 0.5 138.0316941 139.0395191 C6H7O 95.0496872 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 7186 1 [M+H] LOIYMIARKYCTBW-OWOJBTEDSA-N C6H6N2O2 UROCANATE HMDB00301 10.36 0.5 138.0429274 139.0507524 C6H5N2O 121.040186 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 7186 1 [M+H] LOIYMIARKYCTBW-OWOJBTEDSA-N C6H6N2O2 UROCANATE HMDB00301 10.36 0.5 138.0429274 139.0507524 C5H7N2 95.0609202 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 7186 1 [M+H] LOIYMIARKYCTBW-OWOJBTEDSA-N C6H6N2O2 UROCANATE HMDB00301 10.36 0.5 138.0429274 139.0507524 C5H5N2 93.045271 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5546 1 [M+H] BLHCMGRVFXRYRN-UHFFFAOYSA-N C6H5NO3 6-HYDROXYNICOTINATE HMDB02658 8.2 0.5 139.026943 140.034768 C5H6NO2 112.0398516 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5546 1 [M+H] BLHCMGRVFXRYRN-UHFFFAOYSA-N C6H5NO3 6-HYDROXYNICOTINATE HMDB02658 8.2 0.5 139.026943 140.034768 C5H6NO 96.0449366 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5546 1 [M+H] BLHCMGRVFXRYRN-UHFFFAOYSA-N C6H5NO3 6-HYDROXYNICOTINATE HMDB02658 8.2 0.5 139.026943 140.034768 C5H4N 78.0343724 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7147 1 [M+H] ZQISRDCJNBUVMM-YFKPBYRVSA-N C6H11N3O HISTIDINOL HMDB03431 10.5 0.5 141.090212 142.098037 C5H7N2 95.0609202 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7147 1 [M+H] ZQISRDCJNBUVMM-YFKPBYRVSA-N C6H11N3O HISTIDINOL HMDB03431 10.5 0.5 141.090212 142.098037 C4H7N2 83.0609202 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7147 1 [M+H] ZQISRDCJNBUVMM-YFKPBYRVSA-N C6H11N3O HISTIDINOL HMDB03431 10.5 0.5 141.090212 142.098037 C4H5N2 81.045271 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 10020 1 [M+H-H2O] WLJVNTCWHIRURA-UHFFFAOYSA-N C7H12O4 6-CARBOXYHEXANOATE HMDB00857 14.5 0.5 160.07356 143.0708208 C6H9O 97.0653364 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 10020 1 [M+H-H2O] WLJVNTCWHIRURA-UHFFFAOYSA-N C7H12O4 6-CARBOXYHEXANOATE HMDB00857 14.5 0.5 160.07356 143.0708208 C4H9O 73.0653364 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 10020 1 [M+H-H2O] WLJVNTCWHIRURA-UHFFFAOYSA-N C7H12O4 6-CARBOXYHEXANOATE HMDB00857 14.5 0.5 160.07356 143.0708208 C5H9 69.0704214 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14029 1 [M+H-NH3] APJYDQYYACXCRM-UHFFFAOYSA-N C10H12N2 TRYPTAMINE HMDB00303 20.4 0.5 160.1000484 144.0813256 C9H9 117.0704214 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14029 1 [M+H-NH3] APJYDQYYACXCRM-UHFFFAOYSA-N C10H12N2 TRYPTAMINE HMDB00303 20.4 0.5 160.1000484 144.0813256 C9H7 115.0547722 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14029 1 [M+H-NH3] APJYDQYYACXCRM-UHFFFAOYSA-N C10H12N2 TRYPTAMINE HMDB00303 20.4 0.5 160.1000484 144.0813256 C7H7 91.0547722 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 5227 1 [M+H] UZTFMUBKZQVKLK-UHFFFAOYSA-N C6H11NO3 4-ACETAMIDOBUTANOATE HMDB03681 7.5 2 145.0738932 146.0817182 QEP1_2021_0823_RJ_26_2cd55prm.raw 5227 1 [M+H] UZTFMUBKZQVKLK-UHFFFAOYSA-N C6H11NO3 4-ACETAMIDOBUTANOATE HMDB03681 7.5 2 145.0738932 146.0817182 C7H6N 104.0500216 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 5227 1 [M+H] UZTFMUBKZQVKLK-UHFFFAOYSA-N C6H11NO3 4-ACETAMIDOBUTANOATE HMDB03681 7.5 2 145.0738932 146.0817182 C4H8NO 86.0605858 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 6708 1 [M+H] TUHVEAJXIMEOSA-UHFFFAOYSA-N C5H11N3O2 4-GUANIDINOBUTANOATE HMDB03464 10 0.5 145.0851266 146.0929516 C4H7O2 87.0446022 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 6708 1 [M+H] TUHVEAJXIMEOSA-UHFFFAOYSA-N C5H11N3O2 4-GUANIDINOBUTANOATE HMDB03464 10 0.5 145.0851266 146.0929516 C4H8NO 86.0605858 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 6708 1 [M+H] TUHVEAJXIMEOSA-UHFFFAOYSA-N C5H11N3O2 4-GUANIDINOBUTANOATE HMDB03464 10 0.5 145.0851266 146.0929516 C3H8O 60.0575118 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 6215 1 [M+] OIPILFWXSMYKGL-UHFFFAOYSA-N C7H16NO2 ACETYLCHOLINE HMDB00895 9.2 0.5 146.1181038 146.1181038 QEP1_2021_0823_RJ_66_4cd55prm.raw 6215 1 [M+] OIPILFWXSMYKGL-UHFFFAOYSA-N C7H16NO2 ACETYLCHOLINE HMDB00895 9.2 0.5 146.1181038 146.1181038 C4H7O2 87.0446022 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 6215 1 [M+] OIPILFWXSMYKGL-UHFFFAOYSA-N C7H16NO2 ACETYLCHOLINE HMDB00895 9.2 0.5 146.1181038 146.1181038 C3H10N 60.08132 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 5139 1 [M+H] JHPNVNIEXXLNTR-UHFFFAOYSA-N C7H15NO2 DEOXYCARNITINE HMDB01161 7.7 1 145.11028 146.118105 QEP1_2021_0823_RJ_41_3ab55prm.raw 5139 1 [M+H] JHPNVNIEXXLNTR-UHFFFAOYSA-N C7H15NO2 DEOXYCARNITINE HMDB01161 7.7 1 145.11028 146.118105 C4H7O2 87.0446022 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 5139 1 [M+H] JHPNVNIEXXLNTR-UHFFFAOYSA-N C7H15NO2 DEOXYCARNITINE HMDB01161 7.7 1 145.11028 146.118105 C3H10N 60.08132 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 11051 1 [M+H] ATHGHQPFGPMSJY-UHFFFAOYSA-N C7H19N3 SPERMIDINE HMDB01257 16.41 0.5 145.1578976 146.1657226 C7H14N 112.1126184 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 10971 1 [M+H] ATHGHQPFGPMSJY-UHFFFAOYSA-N C7H19N3 SPERMIDINE HMDB01257 16.2 0.5 145.1578976 146.1657226 C7H14N 112.1126184 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 11051 1 [M+H] ATHGHQPFGPMSJY-UHFFFAOYSA-N C7H19N3 SPERMIDINE HMDB01257 16.41 0.5 145.1578976 146.1657226 C5H10N 84.08132 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 10971 1 [M+H] ATHGHQPFGPMSJY-UHFFFAOYSA-N C7H19N3 SPERMIDINE HMDB01257 16.2 0.5 145.1578976 146.1657226 C5H10N 84.08132 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 11051 1 [M+H] ATHGHQPFGPMSJY-UHFFFAOYSA-N C7H19N3 SPERMIDINE HMDB01257 16.41 0.5 145.1578976 146.1657226 C4H10N 72.08132 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 10971 1 [M+H] ATHGHQPFGPMSJY-UHFFFAOYSA-N C7H19N3 SPERMIDINE HMDB01257 16.2 0.5 145.1578976 146.1657226 C4H10N 72.08132 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3038 1 [M+H] ZDXPYRJPNDTMRX-VKHMYHEASA-N C5H10N2O3 GLUTAMINE HMDB00641 4.5 2 146.0691422 147.0769672 C4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3038 1 [M+H] ZDXPYRJPNDTMRX-VKHMYHEASA-N C5H10N2O3 GLUTAMINE HMDB00641 4.5 2 146.0691422 147.0769672 C4NOH6 84.0449366 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3038 1 [M+H] ZDXPYRJPNDTMRX-VKHMYHEASA-N C5H10N2O3 GLUTAMINE HMDB00641 4.5 2 146.0691422 147.0769672 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 14309 1 [M+H] LJUQGASMPRMWIW-UHFFFAOYSA-N C9H10N2 "5,6 DIMETHYLBENZIMIDAZOLE" HMDB03701 21.7 0.5 146.0843983 147.0922233 C8H8N2 132.0687448 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 14309 1 [M+H] LJUQGASMPRMWIW-UHFFFAOYSA-N C9H10N2 "5,6 DIMETHYLBENZIMIDAZOLE" HMDB03701 21.7 0.5 146.0843983 147.0922233 C8H7N2 131.0609202 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 14309 1 [M+H] LJUQGASMPRMWIW-UHFFFAOYSA-N C9H10N2 "5,6 DIMETHYLBENZIMIDAZOLE" HMDB03701 21.7 0.5 146.0843983 147.0922233 C8H10N 120.08132 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4168 1 [M+H] KDXKERNSBIXSRK-YFKPBYRVSA-N C6H14N2O2 LYSINE HMDB00182 6 0.5 146.1055277 147.1133527 QEP1_2021_0823_RJ_26_2cd55prm.raw 4168 1 [M+H] KDXKERNSBIXSRK-YFKPBYRVSA-N C6H14N2O2 LYSINE HMDB00182 6 0.5 146.1055277 147.1133527 C5H10N 84.08132 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4168 1 [M+H] KDXKERNSBIXSRK-YFKPBYRVSA-N C6H14N2O2 LYSINE HMDB00182 6 0.5 146.1055277 147.1133527 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3620 1 [M+H] WHUUTDBJXJRKMK-VKHMYHEASA-N C5H9NO4 GLUTAMATE HMDB00148 5.2 2 147.0531578 148.0609828 C4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3620 1 [M+H] WHUUTDBJXJRKMK-VKHMYHEASA-N C5H9NO4 GLUTAMATE HMDB00148 5.2 2 147.0531578 148.0609828 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3620 1 [M+H] WHUUTDBJXJRKMK-VKHMYHEASA-N C5H9NO4 GLUTAMATE HMDB00148 5.2 2 147.0531578 148.0609828 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2914 1 [M+H] JJIHLJJYMXLCOY-BYPYZUCNSA-N C5H9NO4 N-ACETYLSERINE HMDB02931 4.38 2 147.0531578 148.0609828 C3H8NO3 106.0504158 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2914 1 [M+H] JJIHLJJYMXLCOY-BYPYZUCNSA-N C5H9NO4 N-ACETYLSERINE HMDB02931 4.38 2 147.0531578 148.0609828 C3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2914 1 [M+H] JJIHLJJYMXLCOY-BYPYZUCNSA-N C5H9NO4 N-ACETYLSERINE HMDB02931 4.38 2 147.0531578 148.0609828 C2H6NO 60.0449366 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3148 1 [M+H] HOKKHZGPKSLGJE-GSVOUGTGSA-N C5H9NO4 N-METHYLASPARTATE HMDB02393 4.5 2 147.0531578 148.0609828 C4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3148 1 [M+H] HOKKHZGPKSLGJE-GSVOUGTGSA-N C5H9NO4 N-METHYLASPARTATE HMDB02393 4.5 2 147.0531578 148.0609828 C3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3148 1 [M+H] HOKKHZGPKSLGJE-GSVOUGTGSA-N C5H9NO4 N-METHYLASPARTATE HMDB02393 4.5 2 147.0531578 148.0609828 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 3513 1 [M+H] VZXPDPZARILFQX-BYPYZUCNSA-N C5H9NO4 O-ACETYLSERINE HMDB03011 5.1 1 147.0531578 148.0609828 C3H8NO3 106.0504158 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 3513 1 [M+H] VZXPDPZARILFQX-BYPYZUCNSA-N C5H9NO4 O-ACETYLSERINE HMDB03011 5.1 1 147.0531578 148.0609828 C3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 3513 1 [M+H] VZXPDPZARILFQX-BYPYZUCNSA-N C5H9NO4 O-ACETYLSERINE HMDB03011 5.1 1 147.0531578 148.0609828 C2H6NO 60.0449366 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 14459 1 [M+H] BBZCPUCZKLTAJQ-UHFFFAOYSA-N C9H9NO 3-METHYL-2-OXINDOLE 1504-06-9 21.4 0.5 147.068414 148.076239 C8H10N 120.08132 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 14459 1 [M+H] BBZCPUCZKLTAJQ-UHFFFAOYSA-N C9H9NO 3-METHYL-2-OXINDOLE 1504-06-9 21.4 0.5 147.068414 148.076239 C7H5O 105.034038 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 14459 1 [M+H] BBZCPUCZKLTAJQ-UHFFFAOYSA-N C9H9NO 3-METHYL-2-OXINDOLE 1504-06-9 21.4 0.5 147.068414 148.076239 C8H7 103.0547722 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 5337 1 [M+H] FFEARJCKVFRZRR-BYPYZUCNSA-N C5H11NO2S METHIONINE HMDB00696 7.7 0.5 149.0510493 150.0588743 C4H10NS 104.053392 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 5337 1 [M+H] FFEARJCKVFRZRR-BYPYZUCNSA-N C5H11NO2S METHIONINE HMDB00696 7.7 0.5 149.0510493 150.0588743 C2H5S 61.011195 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 5337 1 [M+H] FFEARJCKVFRZRR-BYPYZUCNSA-N C5H11NO2S METHIONINE HMDB00696 7.7 0.5 149.0510493 150.0588743 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 7044 1 [M+H] FSASIHFSFGAIJM-UHFFFAOYSA-N C6H7N5 3-METHYLADENINE HMDB11600 10.5 0.5 149.0701452 150.0779702 C5H7N4 123.0670682 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 7044 1 [M+H] FSASIHFSFGAIJM-UHFFFAOYSA-N C6H7N5 3-METHYLADENINE HMDB11600 10.5 0.5 149.0701452 150.0779702 C4H5N4 109.051419 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 7044 1 [M+H] FSASIHFSFGAIJM-UHFFFAOYSA-N C6H7N5 3-METHYLADENINE HMDB11600 10.5 0.5 149.0701452 150.0779702 C4H6N3 96.0561696 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9919 1 [M+H-NH3] DIVQKHQLANKJQO-UHFFFAOYSA-N C9H13NO2 3-METHOXYTYRAMINE HMDB00022 14.3 0.5 167.0946287 151.0759037 C8H7O 119.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9919 1 [M+H-NH3] DIVQKHQLANKJQO-UHFFFAOYSA-N C9H13NO2 3-METHOXYTYRAMINE HMDB00022 14.3 0.5 167.0946287 151.0759037 C6H7O 95.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9919 1 [M+H-NH3] DIVQKHQLANKJQO-UHFFFAOYSA-N C9H13NO2 3-METHOXYTYRAMINE HMDB00022 14.3 0.5 167.0946287 151.0759037 C7H7 91.0547722 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6821 1 [M+H] UYTPUPDQBNUYGX-UHFFFAOYSA-N C5H5N5O GUANINE HMDB00132 9.8 0.5 151.0494098 152.0572348 QEP1_2021_0823_RJ_16_1ef55prm.raw 6821 1 [M+H] UYTPUPDQBNUYGX-UHFFFAOYSA-N C5H5N5O GUANINE HMDB00132 9.8 0.5 151.0494098 152.0572348 C5H3N4O 135.0306848 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6821 1 [M+H] UYTPUPDQBNUYGX-UHFFFAOYSA-N C5H5N5O GUANINE HMDB00132 9.8 0.5 151.0494098 152.0572348 C4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4832 1 [M+H] LRFVTYWOQMYALW-UHFFFAOYSA-N C5H4N4O2 XANTHINE HMDB00292 7 2 152.0334254 153.0412504 C4H6N3O2 128.0459996 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4832 1 [M+H] LRFVTYWOQMYALW-UHFFFAOYSA-N C5H4N4O2 XANTHINE HMDB00292 7 2 152.0334254 153.0412504 C4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4832 1 [M+H] LRFVTYWOQMYALW-UHFFFAOYSA-N C5H4N4O2 XANTHINE HMDB00292 7 2 152.0334254 153.0412504 C2H3N2 55.0296218 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 14215 1 [M+H] SULYEHHGGXARJS-UHFFFAOYSA-N C8H8O3 "2',4'-DIHYDROXYACETOPHENONE" HMDB29659 21.28 0.5 152.0473441 153.0551691 C8H7O2 135.0446022 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 14215 1 [M+H] SULYEHHGGXARJS-UHFFFAOYSA-N C8H8O3 "2',4'-DIHYDROXYACETOPHENONE" HMDB29659 21.28 0.5 152.0473441 153.0551691 C6H7O2 111.0446022 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 14215 1 [M+H] SULYEHHGGXARJS-UHFFFAOYSA-N C8H8O3 "2',4'-DIHYDROXYACETOPHENONE" HMDB29659 21.28 0.5 152.0473441 153.0551691 C7H7O 107.0496872 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 2682 1 [M+H] HEBKCHPVOIAQTA-IMJSIDKUSA-N C5H12O5 ARABITOL HMDB01851 4 2 152.0684735 153.0762985 C5H7O2 99.0446022 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 2682 1 [M+H] HEBKCHPVOIAQTA-IMJSIDKUSA-N C5H12O5 ARABITOL HMDB01851 4 2 152.0684735 153.0762985 C4H5O 69.034038 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 2682 1 [M+H] HEBKCHPVOIAQTA-IMJSIDKUSA-N C5H12O5 ARABITOL HMDB01851 4 2 152.0684735 153.0762985 C3H5O 57.034038 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 2814 1 [M+H] HEBKCHPVOIAQTA-SCDXWVJYSA-N C5H12O5 XYLITOL HMDB02917 4.1 2 152.0684735 153.0762985 QEP1_2021_0823_RJ_96_5gh55prm.raw 2814 1 [M+H] HEBKCHPVOIAQTA-SCDXWVJYSA-N C5H12O5 XYLITOL HMDB02917 4.1 2 152.0684735 153.0762985 C4H5O 69.034038 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 2814 1 [M+H] HEBKCHPVOIAQTA-SCDXWVJYSA-N C5H12O5 XYLITOL HMDB02917 4.1 2 152.0684735 153.0762985 C3H5O 57.034038 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 6296 1 [M+H] QPEJHSFTZVMSJH-UHFFFAOYSA-N C7H7NO3 3-AMINO-5-HYDROXYBENZOATE 76045-71-1 9.1 0.5 153.042594 154.050419 C6H8NO2 126.0555008 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 6296 1 [M+H] QPEJHSFTZVMSJH-UHFFFAOYSA-N C7H7NO3 3-AMINO-5-HYDROXYBENZOATE 76045-71-1 9.1 0.5 153.042594 154.050419 C6H8NO 110.0605858 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 6296 1 [M+H] QPEJHSFTZVMSJH-UHFFFAOYSA-N C7H7NO3 3-AMINO-5-HYDROXYBENZOATE 76045-71-1 9.1 0.5 153.042594 154.050419 C6H6N 92.0500216 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6509 1 [M+H] VYFYYTLLBUKUHU-UHFFFAOYSA-N C8H11NO2 DOPAMINE HMDB00073 9.3 0.5 153.0789786 154.0868036 C8H9O2 137.0602514 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6509 1 [M+H] VYFYYTLLBUKUHU-UHFFFAOYSA-N C8H11NO2 DOPAMINE HMDB00073 9.3 0.5 153.0789786 154.0868036 C8H7O 119.0496872 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6509 1 [M+H] VYFYYTLLBUKUHU-UHFFFAOYSA-N C8H11NO2 DOPAMINE HMDB00073 9.3 0.5 153.0789786 154.0868036 C7H7 91.0547722 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 4019 1 [M+H] HNDVDQJCIGZPNO-YFKPBYRVSA-N C6H9N3O2 HISTIDINE HMDB00177 6 0.5 155.0694765 156.0773015 C5H8N3 110.0718188 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 4019 1 [M+H] HNDVDQJCIGZPNO-YFKPBYRVSA-N C6H9N3O2 HISTIDINE HMDB00177 6 0.5 155.0694765 156.0773015 C5H7N2 95.0609202 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 4019 1 [M+H] HNDVDQJCIGZPNO-YFKPBYRVSA-N C6H9N3O2 HISTIDINE HMDB00177 6 0.5 155.0694765 156.0773015 C4H7N2 83.0609202 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 2989 1 [M+H] PXQPEWDEAKTCGB-UHFFFAOYSA-N C5H4N2O4 OROTATE HMDB00226 4.4 2 156.0171066 157.0249316 C4H3N2O2 111.0194518 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 2989 1 [M+H] PXQPEWDEAKTCGB-UHFFFAOYSA-N C5H4N2O4 OROTATE HMDB00226 4.4 2 156.0171066 157.0249316 C3H4NO2 86.0242024 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 2989 1 [M+H] PXQPEWDEAKTCGB-UHFFFAOYSA-N C5H4N2O4 OROTATE HMDB00226 4.4 2 156.0171066 157.0249316 C3H2NO 68.0136382 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 4357 1 [M+H] ZXYAAVBXHKCJJB-UHFFFAOYSA-N C5H4N2O4 URACIL 5-CARBOXYLATE 23945-44-0 6.4 2 156.017108 157.024933 C5H3N2O3 139.0143668 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 4357 1 [M+H] ZXYAAVBXHKCJJB-UHFFFAOYSA-N C5H4N2O4 URACIL 5-CARBOXYLATE 23945-44-0 6.4 2 156.017108 157.024933 C4H4NO3 114.0191174 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 4357 1 [M+H] ZXYAAVBXHKCJJB-UHFFFAOYSA-N C5H4N2O4 URACIL 5-CARBOXYLATE 23945-44-0 6.4 2 156.017108 157.024933 C3HO2 68.9976546 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 12536 1 [M+H-H2O] TYFQFVWCELRYAO-UHFFFAOYSA-N C8H14O4 SUBERATE HMDB00893 18.4 0.5 174.0892089 157.0864697 C6H11 83.0860706 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 12536 1 [M+H-H2O] TYFQFVWCELRYAO-UHFFFAOYSA-N C8H14O4 SUBERATE HMDB00893 18.4 0.5 174.0892089 157.0864697 C5H9 69.0704214 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 12536 1 [M+H-H2O] TYFQFVWCELRYAO-UHFFFAOYSA-N C8H14O4 SUBERATE HMDB00893 18.4 0.5 174.0892089 157.0864697 C4H7 55.0547722 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 6705 1 [M+H] GNMSLDIYJOSUSW-LURJTMIESA-N C7H11NO3 N-ACETYLPROLINE 68-95-1 9.8 0.5 157.073894 158.081719 C5H10NO2 116.07115 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 6705 1 [M+H] GNMSLDIYJOSUSW-LURJTMIESA-N C7H11NO3 N-ACETYLPROLINE 68-95-1 9.8 0.5 157.073894 158.081719 C6H10NO 112.076235 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 6705 1 [M+H] GNMSLDIYJOSUSW-LURJTMIESA-N C7H11NO3 N-ACETYLPROLINE 68-95-1 9.8 0.5 157.073894 158.081719 C4H8N 70.0656708 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3140 1 [M+H] UFIVEPVSAGBUSI-REOHCLBHSA-N C5H6N2O4 DIHYDROOROTATE HMDB03349 4.4 2 158.0327567 159.0405817 C4H5N2O2 113.035101 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3140 1 [M+H] UFIVEPVSAGBUSI-REOHCLBHSA-N C5H6N2O4 DIHYDROOROTATE HMDB03349 4.4 2 158.0327567 159.0405817 C3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3140 1 [M+H] UFIVEPVSAGBUSI-REOHCLBHSA-N C5H6N2O4 DIHYDROOROTATE HMDB03349 4.4 2 158.0327567 159.0405817 C2H4NO2 74.0242024 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 2877 1 [M+H] POJWUDADGALRAB-UHFFFAOYSA-N C4H6N4O3 ALLANTOIN HMDB00462 4.1 2 158.0439901 159.0518151 C3O2N2H3 99.0194518 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 2877 1 [M+H] POJWUDADGALRAB-UHFFFAOYSA-N C4H6N4O3 ALLANTOIN HMDB00462 4.1 2 158.0439901 159.0518151 C2H3N3O 85.0276108 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 2877 1 [M+H] POJWUDADGALRAB-UHFFFAOYSA-N C4H6N4O3 ALLANTOIN HMDB00462 4.1 2 158.0439901 159.0518151 CN2OH5 61.040186 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 4094 1 [M+H] OYIFNHCXNCRBQI-BYPYZUCNSA-N C6H11NO4 AMINOADIPATE HMDB00510 5.9 0.5 161.0688078 162.0766328 C5H10NO2 116.07115 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 4094 1 [M+H] OYIFNHCXNCRBQI-BYPYZUCNSA-N C6H11NO4 AMINOADIPATE HMDB00510 5.9 0.5 161.0688078 162.0766328 C5H8NO 98.0605858 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 4094 1 [M+H] OYIFNHCXNCRBQI-BYPYZUCNSA-N C6H11NO4 AMINOADIPATE HMDB00510 5.9 0.5 161.0688078 162.0766328 C4H8N 70.0656708 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3374 1 [M+H] XLBVNMSMFQMKEY-BYPYZUCNSA-N C6H11NO4 N-METHYLGLUTAMATE HMDB0062660 5 2 161.068809 162.076634 C5H10NO2 116.07115 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3374 1 [M+H] XLBVNMSMFQMKEY-BYPYZUCNSA-N C6H11NO4 N-METHYLGLUTAMATE HMDB0062660 5 2 161.068809 162.076634 C5H8NO 98.0605858 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3374 1 [M+H] XLBVNMSMFQMKEY-BYPYZUCNSA-N C6H11NO4 N-METHYLGLUTAMATE HMDB0062660 5 2 161.068809 162.076634 C4H8N 70.0656708 1 QEP1_2021_0823_RJ_86_5cd55prm.raw na 1 [M+H] MBBOMCVGYCRMEA-UHFFFAOYSA-N C10H11NO INDOLE-3-ETHANOL HMDB03447 21 0.5 161.084064 162.091889 QEP1_2021_0823_RJ_86_5cd55prm.raw na 1 [M+H] MBBOMCVGYCRMEA-UHFFFAOYSA-N C10H11NO INDOLE-3-ETHANOL HMDB03447 21 0.5 161.084064 162.091889 C9H9 117.0704214 1 QEP1_2021_0823_RJ_86_5cd55prm.raw na 1 [M+H] MBBOMCVGYCRMEA-UHFFFAOYSA-N C10H11NO INDOLE-3-ETHANOL HMDB03447 21 0.5 161.084064 162.091889 C9H7 115.0547722 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4208 1 [M+H] PHIQHXFUZVPYII-ZCFIWIBFSA-O C7H15NO3 L-CARNITINE HMDB00062 6.25 1 161.1051934 162.1130184 C4H7O3 103.0395172 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4208 1 [M+H] PHIQHXFUZVPYII-ZCFIWIBFSA-O C7H15NO3 L-CARNITINE HMDB00062 6.25 1 161.1051934 162.1130184 C4H5O2 85.028953 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4208 1 [M+H] PHIQHXFUZVPYII-ZCFIWIBFSA-O C7H15NO3 L-CARNITINE HMDB00062 6.25 1 161.1051934 162.1130184 C3H10N 60.08132 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3935 1 [M+H] YSMODUONRAFBET-UHNVWZDZSA-N C6H14N2O3 5-HYDROXYLYSINE HMDB00450 5.8 0.5 162.1004423 163.1082673 C6H10NO2 128.07115 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3935 1 [M+H] YSMODUONRAFBET-UHNVWZDZSA-N C6H14N2O3 5-HYDROXYLYSINE HMDB00450 5.8 0.5 162.1004423 163.1082673 C5H10NO 100.076235 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3935 1 [M+H] YSMODUONRAFBET-UHNVWZDZSA-N C6H14N2O3 5-HYDROXYLYSINE HMDB00450 5.8 0.5 162.1004423 163.1082673 C5H8N 82.0656708 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 6029 1 [M+H] HNXQXTQTPAJEJL-UHFFFAOYSA-N C6H5N5O PTERIN HMDB00802 8.7 1 163.0494098 164.0572348 C5H5N4O 137.046334 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 6029 1 [M+H] HNXQXTQTPAJEJL-UHFFFAOYSA-N C6H5N5O PTERIN HMDB00802 8.7 1 163.0494098 164.0572348 C5H5N4 121.051419 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 6029 1 [M+H] HNXQXTQTPAJEJL-UHFFFAOYSA-N C6H5N5O PTERIN HMDB00802 8.7 1 163.0494098 164.0572348 C5H3N4 119.0357698 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5248 1 [M+H] UYEUUXMDVNYCAM-UHFFFAOYSA-N C6H4N4O2 "2,4-DIHYDROXYPTERIDINE" 487-21-8 7.7 0.5 164.033426 165.041251 C5H4N3O2 138.0303504 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5248 1 [M+H] UYEUUXMDVNYCAM-UHFFFAOYSA-N C6H4N4O2 "2,4-DIHYDROXYPTERIDINE" 487-21-8 7.7 0.5 164.033426 165.041251 C4H6N3O 112.0510846 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5248 1 [M+H] UYEUUXMDVNYCAM-UHFFFAOYSA-N C6H4N4O2 "2,4-DIHYDROXYPTERIDINE" 487-21-8 7.7 0.5 164.033426 165.041251 C4H4N3 94.0405204 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 9099 1 [M+H] COLNVLDHVKWLRT-QMMMGPOBSA-N C9H11NO2 PHENYLALANINE HMDB00159 13.1 0.5 165.0789786 166.0868036 QEP1_2021_0823_RJ_16_1ef55prm.raw 9099 1 [M+H] COLNVLDHVKWLRT-QMMMGPOBSA-N C9H11NO2 PHENYLALANINE HMDB00159 13.1 0.5 165.0789786 166.0868036 C8H10N 120.08132 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 9099 1 [M+H] COLNVLDHVKWLRT-QMMMGPOBSA-N C9H11NO2 PHENYLALANINE HMDB00159 13.1 0.5 165.0789786 166.0868036 C8H7 103.0547722 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7027 1 [M+H-H2O] YNYAYWLBAHXHLL-UHFFFAOYSA-N C9H13NO3 NORMETANEPHRINE HMDB00819 10.2 0.5 183.0895433 166.0868183 C8H8NO 134.0605858 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7027 1 [M+H-H2O] YNYAYWLBAHXHLL-UHFFFAOYSA-N C9H13NO3 NORMETANEPHRINE HMDB00819 10.2 0.5 183.0895433 166.0868183 C8H9O 121.0653364 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7027 1 [M+H-H2O] YNYAYWLBAHXHLL-UHFFFAOYSA-N C9H13NO3 NORMETANEPHRINE HMDB00819 10.2 0.5 183.0895433 166.0868183 C7H8N 106.0656708 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9970 1 [M+H] UIJIQXGRFSPYQW-UHFFFAOYSA-N C6H6N4S THIOPURINE S-METHYLETHER HMDB60412 14.5 0.5 166.031318 167.039143 C6H6N4 134.0592436 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9970 1 [M+H] UIJIQXGRFSPYQW-UHFFFAOYSA-N C6H6N4S THIOPURINE S-METHYLETHER HMDB60412 14.5 0.5 166.031318 167.039143 C4H4N3S 126.0125924 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9970 1 [M+H] UIJIQXGRFSPYQW-UHFFFAOYSA-N C6H6N4S THIOPURINE S-METHYLETHER HMDB60412 14.5 0.5 166.031318 167.039143 C5H3N4 119.0357698 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 3721 1 [M+H] LJCWONGJFPCTTL-ZETCQYMHSA-N C8H9NO3 4-HYDROXY-L-PHENYLGLYCINE 32462-30-9 5.6 0.5 167.05824 168.066065 C8H7O3 151.0395172 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 3721 1 [M+H] LJCWONGJFPCTTL-ZETCQYMHSA-N C8H9NO3 4-HYDROXY-L-PHENYLGLYCINE 32462-30-9 5.6 0.5 167.05824 168.066065 C7H7O2 123.0446022 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 3721 1 [M+H] LJCWONGJFPCTTL-ZETCQYMHSA-N C8H9NO3 4-HYDROXY-L-PHENYLGLYCINE 32462-30-9 5.6 0.5 167.05824 168.066065 C6H7O 95.0496872 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 6957 1 [M+H] RADKZDMFGJYCBB-UHFFFAOYSA-N C8H9NO3 PYRIDOXAL HMDB01545 10.2 0.5 167.0582432 168.0660682 C7H8NO 122.0605858 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 6957 1 [M+H] RADKZDMFGJYCBB-UHFFFAOYSA-N C8H9NO3 PYRIDOXAL HMDB01545 10.2 0.5 167.0582432 168.0660682 C7H8N 106.0656708 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 6957 1 [M+H] RADKZDMFGJYCBB-UHFFFAOYSA-N C8H9NO3 PYRIDOXAL HMDB01545 10.2 0.5 167.0582432 168.0660682 C6H8N 94.0656708 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 7401 1 [M+H] NHZMQXZHNVQTQA-UHFFFAOYSA-N C8H12N2O2 PYRIDOXAMINE HMDB01431 11 0.5 168.0898776 169.0977026 C8H8NO 134.0605858 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 7401 1 [M+H] NHZMQXZHNVQTQA-UHFFFAOYSA-N C8H12N2O2 PYRIDOXAMINE HMDB01431 11 0.5 168.0898776 169.0977026 C7H10NO 124.076235 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 7401 1 [M+H] NHZMQXZHNVQTQA-UHFFFAOYSA-N C8H12N2O2 PYRIDOXAMINE HMDB01431 11 0.5 168.0898776 169.0977026 C7H8N 106.0656708 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 2640 1 [M+H] XVOYSCVBGLVSOL-UHFFFAOYSA-N C3H7NO5S CYSTEATE HMDB02757 4 2 169.004493 170.012318 QEP1_2021_0823_RJ_36_2gh55prm.raw 2640 1 [M+H] XVOYSCVBGLVSOL-UHFFFAOYSA-N C3H7NO5S CYSTEATE HMDB02757 4 2 169.004493 170.012318 C2H6NO3S 124.0068386 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 2640 1 [M+H] XVOYSCVBGLVSOL-UHFFFAOYSA-N C3H7NO5S CYSTEATE HMDB02757 4 2 169.004493 170.012318 C2H4NO2S 105.9962744 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 7881 1 [M+H] LXNHXLLTXMVWPM-UHFFFAOYSA-N C8H11NO3 PYRIDOXINE HMDB00239 11.32 0.5 169.0738932 170.0817182 C8H10NO2 152.07115 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 7881 1 [M+H] LXNHXLLTXMVWPM-UHFFFAOYSA-N C8H11NO3 PYRIDOXINE HMDB00239 11.32 0.5 169.0738932 170.0817182 C8H8NO 134.0605858 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 7881 1 [M+H] LXNHXLLTXMVWPM-UHFFFAOYSA-N C8H11NO3 PYRIDOXINE HMDB00239 11.32 0.5 169.0738932 170.0817182 C7H10NO 124.076235 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4331 1 [M+H] BRMWTNUJHUMWMS-LURJTMIESA-N C7H11N3O2 1-METHYL-L-HISTIDINE HMDB00001 6.3 0.5 169.0851266 170.0929516 C6H10N3 124.087468 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4331 1 [M+H] BRMWTNUJHUMWMS-LURJTMIESA-N C7H11N3O2 1-METHYL-L-HISTIDINE HMDB00001 6.3 0.5 169.0851266 170.0929516 C6H9N2 109.0765694 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4331 1 [M+H] BRMWTNUJHUMWMS-LURJTMIESA-N C7H11N3O2 1-METHYL-L-HISTIDINE HMDB00001 6.3 0.5 169.0851266 170.0929516 C4H7N2 83.0609202 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 15342 1 [M+H-H2O] BDJRBEYXGGNYIS-UHFFFAOYSA-N C9H16O4 AZELATE HMDB00784 22.5 0.5 188.104859 171.1021198 C7H13 97.1017198 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 15342 1 [M+H-H2O] BDJRBEYXGGNYIS-UHFFFAOYSA-N C9H16O4 AZELATE HMDB00784 22.5 0.5 188.104859 171.1021198 C6H11 83.0860706 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 15342 1 [M+H-H2O] BDJRBEYXGGNYIS-UHFFFAOYSA-N C9H16O4 AZELATE HMDB00784 22.5 0.5 188.104859 171.1021198 C4H7 55.0547722 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 17935 1 [M+H-H2O] YJCJVMMDTBEITC-UHFFFAOYSA-N C10H20O3 10-HYDROXYDECANOATE 1679-53-4 26.4 0.5 188.141245 171.1385058 C10H15 135.117369 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 17935 1 [M+H-H2O] YJCJVMMDTBEITC-UHFFFAOYSA-N C10H20O3 10-HYDROXYDECANOATE 1679-53-4 26.4 0.5 188.141245 171.1385058 C7H9 93.0704214 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 17935 1 [M+H-H2O] YJCJVMMDTBEITC-UHFFFAOYSA-N C10H20O3 10-HYDROXYDECANOATE 1679-53-4 26.4 0.5 188.141245 171.1385058 C5H9 69.0704214 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9736 1 [M+H] LOAUVZALPPNFOQ-UHFFFAOYSA-N C10H7NO2 2-QUINOLINECARBOXYLATE HMDB00842 14.1 1 173.0476785 174.0555035 QEP1_2021_0823_RJ_96_5gh55prm.raw 9736 1 [M+H] LOAUVZALPPNFOQ-UHFFFAOYSA-N C10H7NO2 2-QUINOLINECARBOXYLATE HMDB00842 14.1 1 173.0476785 174.0555035 C9H8NO 146.0605858 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9736 1 [M+H] LOAUVZALPPNFOQ-UHFFFAOYSA-N C10H7NO2 2-QUINOLINECARBOXYLATE HMDB00842 14.1 1 173.0476785 174.0555035 C9H6N 128.0500216 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 5608 1 [M+H] VQMSRUREDGBWKT-UHFFFAOYSA-N C10H7NO2 4-QUINOLINECARBOXYLATE 486-74-8 8.3 0.5 173.047679 174.055504 C9H8NO 146.0605858 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 5608 1 [M+H] VQMSRUREDGBWKT-UHFFFAOYSA-N C10H7NO2 4-QUINOLINECARBOXYLATE 486-74-8 8.3 0.5 173.047679 174.055504 C9H8N 130.0656708 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 5608 1 [M+H] VQMSRUREDGBWKT-UHFFFAOYSA-N C10H7NO2 4-QUINOLINECARBOXYLATE 486-74-8 8.3 0.5 173.047679 174.055504 C9H6N 128.0500216 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10882 1 [M+H] WXNXCEHXYPACJF-ZETCQYMHSA-N C8H15NO3 N-ACETYLLEUCINE HMDB11756 15.9 0.5 173.1051934 174.1130184 C6H14NO2 132.1024484 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10882 1 [M+H] WXNXCEHXYPACJF-ZETCQYMHSA-N C8H15NO3 N-ACETYLLEUCINE HMDB11756 15.9 0.5 173.1051934 174.1130184 C7H14NO 128.1075334 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10882 1 [M+H] WXNXCEHXYPACJF-ZETCQYMHSA-N C8H15NO3 N-ACETYLLEUCINE HMDB11756 15.9 0.5 173.1051934 174.1130184 C5H12N 86.0969692 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 2811 1 [M+H] HXFOXFJUNFFYMO-BYPYZUCNSA-N C6H10N2O4 N-ACETYLASPARAGINE HMDB06028 4.33 1 174.0640568 175.0718818 C4H9N2O3 133.0613144 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 2811 1 [M+H] HXFOXFJUNFFYMO-BYPYZUCNSA-N C6H10N2O4 N-ACETYLASPARAGINE HMDB06028 4.33 1 174.0640568 175.0718818 C3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 2811 1 [M+H] HXFOXFJUNFFYMO-BYPYZUCNSA-N C6H10N2O4 N-ACETYLASPARAGINE HMDB06028 4.33 1 174.0640568 175.0718818 C3H7N2O 87.0558352 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 11468 1 [M+H] ZOAMBXDOGPRZLP-UHFFFAOYSA-N C10H10N2O INDOLE-3-ACETAMIDE HMDB29739 16.9 0.5 174.079313 175.087138 QEP1_2021_0823_RJ_91_5ef55prm.raw 11468 1 [M+H] ZOAMBXDOGPRZLP-UHFFFAOYSA-N C10H10N2O INDOLE-3-ACETAMIDE HMDB29739 16.9 0.5 174.079313 175.087138 C10H8NO 158.0605858 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 11468 1 [M+H] ZOAMBXDOGPRZLP-UHFFFAOYSA-N C10H10N2O INDOLE-3-ACETAMIDE HMDB29739 16.9 0.5 174.079313 175.087138 C9H8N 130.0656708 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 4627 1 [M+H] ODKSFYDXXFIFQN-BYPYZUCNSA-N C6H14N4O2 ARGININE HMDB00517 6.9 0.5 174.1116757 175.1195007 C5H10NO2 116.07115 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 4627 1 [M+H] ODKSFYDXXFIFQN-BYPYZUCNSA-N C6H14N4O2 ARGININE HMDB00517 6.9 0.5 174.1116757 175.1195007 C4H8N 70.0656708 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 4627 1 [M+H] ODKSFYDXXFIFQN-BYPYZUCNSA-N C6H14N4O2 ARGININE HMDB00517 6.9 0.5 174.1116757 175.1195007 CH6N3 60.0561696 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14629 1 [M+H] NCIKQJBVUNUXLW-UHFFFAOYSA-N C11H14N2 N-METHYLTRYPTAMINE HMDB04370 21.25 0.5 174.1156985 175.1235235 C10H10N 144.08132 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14629 1 [M+H] NCIKQJBVUNUXLW-UHFFFAOYSA-N C11H14N2 N-METHYLTRYPTAMINE HMDB04370 21.25 0.5 174.1156985 175.1235235 C9H10N 132.08132 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14629 1 [M+H] NCIKQJBVUNUXLW-UHFFFAOYSA-N C11H14N2 N-METHYLTRYPTAMINE HMDB04370 21.25 0.5 174.1156985 175.1235235 C9H9 117.0704214 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 3611 1 [M+H] OTCCIMWXFLJLIA-BYPYZUCNSA-N C6H9NO5 N-ACETYLASPARTATE HMDB00812 5.6 2 175.0480724 176.0558974 C4H8NO4 134.0453308 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 3611 1 [M+H] OTCCIMWXFLJLIA-BYPYZUCNSA-N C6H9NO5 N-ACETYLASPARTATE HMDB00812 5.6 2 175.0480724 176.0558974 C3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 3611 1 [M+H] OTCCIMWXFLJLIA-BYPYZUCNSA-N C6H9NO5 N-ACETYLASPARTATE HMDB00812 5.6 2 175.0480724 176.0558974 C2H4NO2 74.0242024 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3868 1 [M+H] VVHOUVWJCQOYGG-REOHCLBHSA-N C5H9N3O4 GUANIDINOSUCCINATE HMDB03157 5.7 0.5 175.0593058 176.0671308 C4H8NO4 134.0453308 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3868 1 [M+H] VVHOUVWJCQOYGG-REOHCLBHSA-N C5H9N3O4 GUANIDINOSUCCINATE HMDB03157 5.7 0.5 175.0593058 176.0671308 C3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3868 1 [M+H] VVHOUVWJCQOYGG-REOHCLBHSA-N C5H9N3O4 GUANIDINOSUCCINATE HMDB03157 5.7 0.5 175.0593058 176.0671308 C2H4NO2 74.0242024 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3640 1 [M+H] RHGKLRLOHDJJDR-BYPYZUCNSA-N C6H13N3O3 CITRULLINE HMDB00904 5.62 0.5 175.0956913 176.1035163 QEP1_2021_0823_RJ_06_1ab55prm.raw 3640 1 [M+H] RHGKLRLOHDJJDR-BYPYZUCNSA-N C6H13N3O3 CITRULLINE HMDB00904 5.62 0.5 175.0956913 176.1035163 C5N2OH9 113.0714844 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3640 1 [M+H] RHGKLRLOHDJJDR-BYPYZUCNSA-N C6H13N3O3 CITRULLINE HMDB00904 5.62 0.5 175.0956913 176.1035163 C4NH8 70.0656708 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 7128 1 [M+H] PYUSHNKNPOHWEZ-YFKPBYRVSA-N C6H11NO3S N-FORMYL-L-METHIONINE HMDB01015 10.5 0.5 177.0459639 178.0537889 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 7128 1 [M+H] PYUSHNKNPOHWEZ-YFKPBYRVSA-N C6H11NO3S N-FORMYL-L-METHIONINE HMDB01015 10.5 0.5 177.0459639 178.0537889 C2H5S 61.011195 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 7128 1 [M+H] PYUSHNKNPOHWEZ-YFKPBYRVSA-N C6H11NO3S N-FORMYL-L-METHIONINE HMDB01015 10.5 0.5 177.0459639 178.0537889 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3750 1 [M+H] GBFLZEXEOZUWRN-UHFFFAOYSA-N C5H9NO4S S-CARBOXYMETHYLCYSTEINE HMDB29415 5.5 0.5 179.0252285 180.0330535 C4H8NO2S 134.0275728 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3750 1 [M+H] GBFLZEXEOZUWRN-UHFFFAOYSA-N C5H9NO4S S-CARBOXYMETHYLCYSTEINE HMDB29415 5.5 0.5 179.0252285 180.0330535 C3H5OS 89.00611 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3750 1 [M+H] GBFLZEXEOZUWRN-UHFFFAOYSA-N C5H9NO4S S-CARBOXYMETHYLCYSTEINE HMDB29415 5.5 0.5 179.0252285 180.0330535 C2H5S 61.011195 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9331 1 [M+H] QIAFMBKCNZACKA-UHFFFAOYSA-N C9H9NO3 HIPPURATE HMDB00714 13.5 0.5 179.0582432 180.0660682 C7H5O 105.034038 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9331 1 [M+H] QIAFMBKCNZACKA-UHFFFAOYSA-N C9H9NO3 HIPPURATE HMDB00714 13.5 0.5 179.0582432 180.0660682 C6H7O 95.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9331 1 [M+H] QIAFMBKCNZACKA-UHFFFAOYSA-N C9H9NO3 HIPPURATE HMDB00714 13.5 0.5 179.0582432 180.0660682 C6H5 77.039123 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3602 1 [M+H] MSWZFWKMSRAUBD-IVMDWMLBSA-N C6H13NO5 GLUCOSAMINE HMDB01514 5.2 2 179.0793725 180.0871975 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3602 1 [M+H] MSWZFWKMSRAUBD-IVMDWMLBSA-N C6H13NO5 GLUCOSAMINE HMDB01514 5.2 2 179.0793725 180.0871975 C3H6NO 72.0449366 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3602 1 [M+H] MSWZFWKMSRAUBD-IVMDWMLBSA-N C6H13NO5 GLUCOSAMINE HMDB01514 5.2 2 179.0793725 180.0871975 C2H6NO 60.0449366 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3510 1 [M+H] CBOJBBMQJBVCMW-DEZHIRTDSA-N C6H13NO5 D-MANNOSAMINE 5505-63-5 5.3 2 179.079374 180.087199 C6H10NO3 144.066065 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3510 1 [M+H] CBOJBBMQJBVCMW-DEZHIRTDSA-N C6H13NO5 D-MANNOSAMINE 5505-63-5 5.3 2 179.079374 180.087199 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3510 1 [M+H] CBOJBBMQJBVCMW-DEZHIRTDSA-N C6H13NO5 D-MANNOSAMINE 5505-63-5 5.3 2 179.079374 180.087199 C3H6NO 72.0449366 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 3384 1 [M+H] CBOJBBMQJBVCMW-NQZVPSPJSA-N C6H13NO5 GALACTOSAMINE 1772-03-8 5.25 2 179.079374 180.087199 C6H8NO2 126.0555008 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 3384 1 [M+H] CBOJBBMQJBVCMW-NQZVPSPJSA-N C6H13NO5 GALACTOSAMINE 1772-03-8 5.25 2 179.079374 180.087199 C5H6NO 96.0449366 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 3384 1 [M+H] CBOJBBMQJBVCMW-NQZVPSPJSA-N C6H13NO5 GALACTOSAMINE 1772-03-8 5.25 2 179.079374 180.087199 C3H6NO 72.0449366 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 7487 1 [M+H] IBRKLUSXDYATLG-LURJTMIESA-N C10H13NO2 SALSOLINOL HMDB42012 10.9 2 179.094629 180.102454 C10H11O2 163.0759006 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 7487 1 [M+H] IBRKLUSXDYATLG-LURJTMIESA-N C10H13NO2 SALSOLINOL HMDB42012 10.9 2 179.094629 180.102454 C10H9O 145.0653364 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 7487 1 [M+H] IBRKLUSXDYATLG-LURJTMIESA-N C10H13NO2 SALSOLINOL HMDB42012 10.9 2 179.094629 180.102454 C9H9 117.0704214 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 3577 1 [M+H] SXTAYKAGBXMACB-UHFFFAOYSA-N C5H12N2O3S METHIONINE SULFOXIMINE HMDB29430 5.56 0.5 180.056863 181.064688 C4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 3577 1 [M+H] SXTAYKAGBXMACB-UHFFFAOYSA-N C5H12N2O3S METHIONINE SULFOXIMINE HMDB29430 5.56 0.5 180.056863 181.064688 C3H6S 74.0190196 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 3577 1 [M+H] SXTAYKAGBXMACB-UHFFFAOYSA-N C5H12N2O3S METHIONINE SULFOXIMINE HMDB29430 5.56 0.5 180.056863 181.064688 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 2671 1 [M+H] CDAISMWEOUEBRE-GPIVLXJGSA-N C6H12O6 MYOINOSITOL HMDB00211 4 2 180.0633881 181.0712131 C6H5O2 109.028953 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 2671 1 [M+H] CDAISMWEOUEBRE-GPIVLXJGSA-N C6H12O6 MYOINOSITOL HMDB00211 4 2 180.0633881 181.0712131 C5H5O 81.034038 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 2671 1 [M+H] CDAISMWEOUEBRE-GPIVLXJGSA-N C6H12O6 MYOINOSITOL HMDB00211 4 2 180.0633881 181.0712131 C4H5O 69.034038 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 8752 1 [M+H] QUNWUDVFRNGTCO-UHFFFAOYSA-N C7H8N4O2 PARAXANTHINE HMDB01860 12.6 0.5 180.0647255 181.0725505 C5H8N3O2 142.0616488 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 8752 1 [M+H] QUNWUDVFRNGTCO-UHFFFAOYSA-N C7H8N4O2 PARAXANTHINE HMDB01860 12.6 0.5 180.0647255 181.0725505 C5H6N3O 124.0510846 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 8752 1 [M+H] QUNWUDVFRNGTCO-UHFFFAOYSA-N C7H8N4O2 PARAXANTHINE HMDB01860 12.6 0.5 180.0647255 181.0725505 C4H6N3 96.0561696 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 7467 1 [M+H] YAPQBXQYLJRXSA-UHFFFAOYSA-N C7H8N4O2 THEOBROMINE HMDB02825 11.3 0.5 180.0647255 181.0725505 C6H8N3O 138.0667338 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 7467 1 [M+H] YAPQBXQYLJRXSA-UHFFFAOYSA-N C7H8N4O2 THEOBROMINE HMDB02825 11.3 0.5 180.0647255 181.0725505 C5H6N3 108.0561696 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 7467 1 [M+H] YAPQBXQYLJRXSA-UHFFFAOYSA-N C7H8N4O2 THEOBROMINE HMDB02825 11.3 0.5 180.0647255 181.0725505 C3H3N2 67.0296218 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 8885 1 [M+H] ZFXYFBGIUFBOJW-UHFFFAOYSA-N C7H8N4O2 THEOPHYLLINE HMDB01889 12.76 0.5 180.0647255 181.0725505 C5H8N3O2 142.0616488 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 8885 1 [M+H] ZFXYFBGIUFBOJW-UHFFFAOYSA-N C7H8N4O2 THEOPHYLLINE HMDB01889 12.76 0.5 180.0647255 181.0725505 C5H6N3O 124.0510846 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 8885 1 [M+H] ZFXYFBGIUFBOJW-UHFFFAOYSA-N C7H8N4O2 THEOPHYLLINE HMDB01889 12.76 0.5 180.0647255 181.0725505 C4H6N3 96.0561696 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 7445 1 [M+H] OUYCCCASQSFEME-QMMMGPOBSA-N C9H11NO3 TYROSINE HMDB00158 10.7 0.5 181.0738932 182.0817182 C8H10NO 136.076235 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 7445 1 [M+H] OUYCCCASQSFEME-QMMMGPOBSA-N C9H11NO3 TYROSINE HMDB00158 10.7 0.5 181.0738932 182.0817182 C7H7O2 123.0446022 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 7445 1 [M+H] OUYCCCASQSFEME-QMMMGPOBSA-N C9H11NO3 TYROSINE HMDB00158 10.7 0.5 181.0738932 182.0817182 C8H7O 119.0496872 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 2773 1 [M+H] FBPFZTCFMRRESA-GUCUJZIJSA-N C6H14O6 GALACTITOL HMDB00107 4 2 182.0790382 183.0868632 C5H7O2 99.0446022 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 2773 1 [M+H] FBPFZTCFMRRESA-GUCUJZIJSA-N C6H14O6 GALACTITOL HMDB00107 4 2 182.0790382 183.0868632 C5H7O 83.0496872 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 2773 1 [M+H] FBPFZTCFMRRESA-GUCUJZIJSA-N C6H14O6 GALACTITOL HMDB00107 4 2 182.0790382 183.0868632 C4H5O 69.034038 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 2647 1 [M+H] FBPFZTCFMRRESA-KVTDHHQDSA-N C6H14O6 MANNITOL HMDB00765 4 2 182.0790382 183.0868632 C5H7O 83.0496872 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 2647 1 [M+H] FBPFZTCFMRRESA-KVTDHHQDSA-N C6H14O6 MANNITOL HMDB00765 4 2 182.0790382 183.0868632 C4H5O 69.034038 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 2647 1 [M+H] FBPFZTCFMRRESA-KVTDHHQDSA-N C6H14O6 MANNITOL HMDB00765 4 2 182.0790382 183.0868632 C3H5O 57.034038 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2684 1 [M+H] FBPFZTCFMRRESA-JGWLITMVSA-N C6H14O6 SORBITOL HMDB00247 4 2 182.0790382 183.0868632 C4H5O2 85.028953 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2684 1 [M+H] FBPFZTCFMRRESA-JGWLITMVSA-N C6H14O6 SORBITOL HMDB00247 4 2 182.0790382 183.0868632 C5H7O 83.0496872 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2684 1 [M+H] FBPFZTCFMRRESA-JGWLITMVSA-N C6H14O6 SORBITOL HMDB00247 4 2 182.0790382 183.0868632 C4H5O 69.034038 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6954 1 [M+H] HXACOUQIXZGNBF-UHFFFAOYSA-N C8H9NO4 4-PYRIDOXATE HMDB00017 9.6 1 183.0531578 184.0609828 C8H8NO3 166.0504158 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6954 1 [M+H] HXACOUQIXZGNBF-UHFFFAOYSA-N C8H9NO4 4-PYRIDOXATE HMDB00017 9.6 1 183.0531578 184.0609828 C8H6NO2 148.0398516 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6954 1 [M+H] HXACOUQIXZGNBF-UHFFFAOYSA-N C8H9NO4 4-PYRIDOXATE HMDB00017 9.6 1 183.0531578 184.0609828 C7H8NO2 138.0555008 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 2863 1 [M+H] GNGACRATGGDKBX-UHFFFAOYSA-N C5H14NO4P PHOSPHORYLCHOLINE HMDB01565 4.3 2 183.06604 184.073865 C2H6O4P 125.0003706 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 2863 1 [M+H] GNGACRATGGDKBX-UHFFFAOYSA-N C5H14NO4P PHOSPHORYLCHOLINE HMDB01565 4.3 2 183.06604 184.073865 H4O4P 98.9847214 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 2863 1 [M+H] GNGACRATGGDKBX-UHFFFAOYSA-N C5H14NO4P PHOSPHORYLCHOLINE HMDB01565 4.3 2 183.06604 184.073865 C5H12N 86.0969692 1 QEP1_2021_1216_RJ_34_mix3.raw 6114 1 [M+H] UCTWMZQNUQWSLP-VIFPVBQESA-N C9H13NO3 EPINEPHRINE HMDB00068 9.2 0.5 183.0895433 184.0973683 C8H9NO2 151.0633254 1 QEP1_2021_1216_RJ_34_mix3.raw 6114 1 [M+H] UCTWMZQNUQWSLP-VIFPVBQESA-N C9H13NO3 EPINEPHRINE HMDB00068 9.2 0.5 183.0895433 184.0973683 C8H7O2 135.0446022 1 QEP1_2021_1216_RJ_34_mix3.raw 6114 1 [M+H] UCTWMZQNUQWSLP-VIFPVBQESA-N C9H13NO3 EPINEPHRINE HMDB00068 9.2 0.5 183.0895433 184.0973683 C7H7O 107.0496872 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4987 1 [M+H] VEYYWZRYIYDQJM-ZETCQYMHSA-N C8H16N2O3 N-ALPHA-ACETYLLYSINE HMDB00446 7.4 1 188.1160924 189.1239174 C6H12NO2 130.0867992 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4987 1 [M+H] VEYYWZRYIYDQJM-ZETCQYMHSA-N C8H16N2O3 N-ALPHA-ACETYLLYSINE HMDB00446 7.4 1 188.1160924 189.1239174 C6H13N2O 129.1027828 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4987 1 [M+H] VEYYWZRYIYDQJM-ZETCQYMHSA-N C8H16N2O3 N-ALPHA-ACETYLLYSINE HMDB00446 7.4 1 188.1160924 189.1239174 C5H10N 84.08132 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 4547 1 [M+H] MXNRLFUSFKVQSK-QMMMGPOBSA-N C9H20N2O2 "N,N,N-TRIMETHYLLYSINE" HMDB01325 6.8 0.5 188.1524779 189.1603029 C6H12NO2 130.0867992 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 4547 1 [M+H] MXNRLFUSFKVQSK-QMMMGPOBSA-N C9H20N2O2 "N,N,N-TRIMETHYLLYSINE" HMDB01325 6.8 0.5 188.1524779 189.1603029 C5H10N 84.08132 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 4547 1 [M+H] MXNRLFUSFKVQSK-QMMMGPOBSA-N C9H20N2O2 "N,N,N-TRIMETHYLLYSINE" HMDB01325 6.8 0.5 188.1524779 189.1603029 C3H10N 60.08132 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 9308 1 [M+H] HCZHHEIFKROPDY-UHFFFAOYSA-N C10H7NO3 KYNURENATE HMDB00715 13.6 1.5 189.0425931 190.0504181 QEP1_2021_0823_RJ_81_5ab55prm.raw 9308 1 [M+H] HCZHHEIFKROPDY-UHFFFAOYSA-N C10H7NO3 KYNURENATE HMDB00715 13.6 1.5 189.0425931 190.0504181 C9H8NO2 162.0555008 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 9308 1 [M+H] HCZHHEIFKROPDY-UHFFFAOYSA-N C10H7NO3 KYNURENATE HMDB00715 13.6 1.5 189.0425931 190.0504181 C9H6NO 144.0449366 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3972 1 [M+H] RFMMMVDNIPUKGG-YFKPBYRVSA-N C7H11NO5 N-ACETYLGLUTAMATE HMDB01138 5.9 2 189.0637225 190.0715475 C5H8NO3 130.0504158 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3972 1 [M+H] RFMMMVDNIPUKGG-YFKPBYRVSA-N C7H11NO5 N-ACETYLGLUTAMATE HMDB01138 5.9 2 189.0637225 190.0715475 C4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3972 1 [M+H] RFMMMVDNIPUKGG-YFKPBYRVSA-N C7H11NO5 N-ACETYLGLUTAMATE HMDB01138 5.9 2 189.0637225 190.0715475 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 18708 1 [M+H] KTHADMDGDNYQRX-UHFFFAOYSA-N C11H11NO2 INDOLE-3-METHYL ACETATE HMDB29738 27.3 0.5 189.0789786 190.0868036 QEP1_2021_0823_RJ_106_6cd55prm.raw 18708 1 [M+H] KTHADMDGDNYQRX-UHFFFAOYSA-N C11H11NO2 INDOLE-3-METHYL ACETATE HMDB29738 27.3 0.5 189.0789786 190.0868036 QEP1_2021_0823_RJ_106_6cd55prm.raw 18708 1 [M+H] KTHADMDGDNYQRX-UHFFFAOYSA-N C11H11NO2 INDOLE-3-METHYL ACETATE HMDB29738 27.3 0.5 189.0789786 190.0868036 C9H8N 130.0656708 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3813 1 [M+H] GMKMEZVLHJARHF-WHFBIAKZSA-N C7H14N2O4 DIAMINOPIMELATE HMDB01370 5.5 1 190.0953569 191.1031819 C6H10NO2 128.07115 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3813 1 [M+H] GMKMEZVLHJARHF-WHFBIAKZSA-N C7H14N2O4 DIAMINOPIMELATE HMDB01370 5.5 1 190.0953569 191.1031819 C5H10N 84.08132 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3813 1 [M+H] GMKMEZVLHJARHF-WHFBIAKZSA-N C7H14N2O4 DIAMINOPIMELATE HMDB01370 5.5 1 190.0953569 191.1031819 C5H8N 82.0656708 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7943 1 [M+H] XUYPXLNMDZIRQH-LURJTMIESA-N C7H13NO3S N-ACETYLMETHIONINE HMDB11745 11.6 0.5 191.061614 192.069439 C5H9O2S 133.0323234 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7943 1 [M+H] XUYPXLNMDZIRQH-LURJTMIESA-N C7H13NO3S N-ACETYLMETHIONINE HMDB11745 11.6 0.5 191.061614 192.069439 C4H10NS 104.053392 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7943 1 [M+H] XUYPXLNMDZIRQH-LURJTMIESA-N C7H13NO3S N-ACETYLMETHIONINE HMDB11745 11.6 0.5 191.061614 192.069439 C5H8NO 98.0605858 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 10295 1 [M+H] RYYVLZVUVIJVGH-UHFFFAOYSA-N C8H10N4O2 CAFFEINE HMDB01847 14.85 0.5 194.0803756 195.0882006 C6H8N3O 138.0667338 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 10295 1 [M+H] RYYVLZVUVIJVGH-UHFFFAOYSA-N C8H10N4O2 CAFFEINE HMDB01847 14.85 0.5 194.0803756 195.0882006 C5H8N3 110.0718188 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 10295 1 [M+H] RYYVLZVUVIJVGH-UHFFFAOYSA-N C8H10N4O2 CAFFEINE HMDB01847 14.85 0.5 194.0803756 195.0882006 C3H5N2 69.045271 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 2871 1 [M+H] UFYKDFXCZBTLOO-TXICZTDVSA-N C6H13NO6 GLUCOSAMINATE 3646-68-2 4.2 1.5 195.074289 196.082114 C5H10NO3 132.066065 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 2871 1 [M+H] UFYKDFXCZBTLOO-TXICZTDVSA-N C6H13NO6 GLUCOSAMINATE 3646-68-2 4.2 1.5 195.074289 196.082114 C5H8NO2 114.0555008 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 2871 1 [M+H] UFYKDFXCZBTLOO-TXICZTDVSA-N C6H13NO6 GLUCOSAMINATE 3646-68-2 4.2 1.5 195.074289 196.082114 C3H6NO 72.0449366 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 6379 1 [M+H] RJFAYQIBOAGBLC-BYPYZUCNSA-N C5H11NO2Se SELENOMETHIONINE HMDB03966 9.15 0.5 196.9955004 198.0033254 C4H7Se 134.9712932 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 6379 1 [M+H] RJFAYQIBOAGBLC-BYPYZUCNSA-N C5H11NO2Se SELENOMETHIONINE HMDB03966 9.15 0.5 196.9955004 198.0033254 C2H5Se 108.955644 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 6379 1 [M+H] RJFAYQIBOAGBLC-BYPYZUCNSA-N C5H11NO2Se SELENOMETHIONINE HMDB03966 9.15 0.5 196.9955004 198.0033254 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 17312 1 [M+H] CXMXRPHRNRROMY-UHFFFAOYSA-N C10H18O4 SEBACATE HMDB00792 26.25 0.5 202.12051 203.128335 C9H15O 139.112284 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 17312 1 [M+H] CXMXRPHRNRROMY-UHFFFAOYSA-N C10H18O4 SEBACATE HMDB00792 26.25 0.5 202.12051 203.128335 C9H13 121.1017198 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 17312 1 [M+H] CXMXRPHRNRROMY-UHFFFAOYSA-N C10H18O4 SEBACATE HMDB00792 26.25 0.5 202.12051 203.128335 C5H9 69.0704214 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 6654 1 [M+H] YDGMGEXADBMOMJ-LURJTMIESA-N C8H18N4O2 "N,N-DIMETHYLARGININE" HMDB01539 9.7 0.5 202.142976 203.150801 C5H10NO2 116.07115 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 6654 1 [M+H] YDGMGEXADBMOMJ-LURJTMIESA-N C8H18N4O2 "N,N-DIMETHYLARGININE" HMDB01539 9.7 0.5 202.142976 203.150801 C3H10N3 88.087468 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 6654 1 [M+H] YDGMGEXADBMOMJ-LURJTMIESA-N C8H18N4O2 "N,N-DIMETHYLARGININE" HMDB01539 9.7 0.5 202.142976 203.150801 C4H8N 70.0656708 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 13915 1 [M+H] PFNFFQXMRSDOHW-UHFFFAOYSA-N C10H26N4 SPERMINE HMDB01256 20.7 0.5 202.2157469 203.2235719 C7H17N2 129.1391662 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 13915 1 [M+H] PFNFFQXMRSDOHW-UHFFFAOYSA-N C10H26N4 SPERMINE HMDB01256 20.7 0.5 202.2157469 203.2235719 C7H14N 112.1126184 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 13915 1 [M+H] PFNFFQXMRSDOHW-UHFFFAOYSA-N C10H26N4 SPERMINE HMDB01256 20.7 0.5 202.2157469 203.2235719 C5H10N 84.08132 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 18863 1 [M+H] HUDBDWIQSIGUDI-UHFFFAOYSA-N C12H13NO2 ETHYL 3-INDOLEACETATE 778-82-5 27.9 0.5 203.094629 204.102454 QEP1_2021_0823_RJ_111_6ef55prm.raw 18863 1 [M+H] HUDBDWIQSIGUDI-UHFFFAOYSA-N C12H13NO2 ETHYL 3-INDOLEACETATE 778-82-5 27.9 0.5 203.094629 204.102454 QEP1_2021_0823_RJ_111_6ef55prm.raw 18863 1 [M+H] HUDBDWIQSIGUDI-UHFFFAOYSA-N C12H13NO2 ETHYL 3-INDOLEACETATE 778-82-5 27.9 0.5 203.094629 204.102454 C9H8N 130.0656708 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 12236 1 [M+H] JLSKPBDKNIXMBS-UHFFFAOYSA-N C11H13N3O L-TRYPTOPHANAMIDE HMDB13318 17.8 0.5 203.1058621 204.1136871 C10H11N2 159.0922186 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 12236 1 [M+H] JLSKPBDKNIXMBS-UHFFFAOYSA-N C11H13N3O L-TRYPTOPHANAMIDE HMDB13318 17.8 0.5 203.1058621 204.1136871 C10H10N 144.08132 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 12236 1 [M+H] JLSKPBDKNIXMBS-UHFFFAOYSA-N C11H13N3O L-TRYPTOPHANAMIDE HMDB13318 17.8 0.5 203.1058621 204.1136871 C9H10N 132.08132 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 6760 1 [M+H] RDHQFKQIGNGIED-MRVPVSSYSA-O C9H17NO4 O-ACETYLCARNITINE HMDB00201 10.1 0.5 203.115758 204.123583 C7H14NO2 144.1024484 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 6760 1 [M+H] RDHQFKQIGNGIED-MRVPVSSYSA-O C9H17NO4 O-ACETYLCARNITINE HMDB00201 10.1 0.5 203.115758 204.123583 C4H5O2 85.028953 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 6760 1 [M+H] RDHQFKQIGNGIED-MRVPVSSYSA-O C9H17NO4 O-ACETYLCARNITINE HMDB00201 10.1 0.5 203.115758 204.123583 C3H10N 60.08132 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 12176 1 [M+H] QIVBCDIJIAJPQS-SECBINFHSA-N C11H12N2O2 TRYPTOPHAN HMDB13609 17.4 0.5 204.0898776 205.0977026 C9H8NO 146.0605858 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 12176 1 [M+H] QIVBCDIJIAJPQS-SECBINFHSA-N C11H12N2O2 TRYPTOPHAN HMDB13609 17.4 0.5 204.0898776 205.0977026 C10H10N 144.08132 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 12176 1 [M+H] QIVBCDIJIAJPQS-SECBINFHSA-N C11H12N2O2 TRYPTOPHAN HMDB13609 17.4 0.5 204.0898776 205.0977026 C8H8N 118.0656708 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 16289 1 [M+H] FCCDDURTIIUXBY-UHFFFAOYSA-N C8H15NOS2 LIPOAMIDE HMDB00962 24 0.5 205.0595055 206.0673305 C7H13S2 161.0458638 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 16289 1 [M+H] FCCDDURTIIUXBY-UHFFFAOYSA-N C8H15NOS2 LIPOAMIDE HMDB00962 24 0.5 205.0595055 206.0673305 C7H11S 127.0581426 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 16289 1 [M+H] FCCDDURTIIUXBY-UHFFFAOYSA-N C8H15NOS2 LIPOAMIDE HMDB00962 24 0.5 205.0595055 206.0673305 C5H9S 101.0424934 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 12441 1 [M+H] CBQJSKKFNMDLON-JTQLQIEISA-N C11H13NO3 N-ACETYLPHENYLALANINE HMDB00512 18.1 0.5 207.0895433 208.0973683 QEP1_2021_0823_RJ_86_5cd55prm.raw 12441 1 [M+H] CBQJSKKFNMDLON-JTQLQIEISA-N C11H13NO3 N-ACETYLPHENYLALANINE HMDB00512 18.1 0.5 207.0895433 208.0973683 C8H10N 120.08132 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 12441 1 [M+H] CBQJSKKFNMDLON-JTQLQIEISA-N C11H13NO3 N-ACETYLPHENYLALANINE HMDB00512 18.1 0.5 207.0895433 208.0973683 C8H7 103.0547722 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 9316 1 [M+H] YGPSJZOEDVAXAB-UHFFFAOYSA-N C10H12N2O3 KYNURENINE HMDB00684 13.57 0.5 208.0847923 209.0926173 C9NOH8 146.0605858 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 9316 1 [M+H] YGPSJZOEDVAXAB-UHFFFAOYSA-N C10H12N2O3 KYNURENINE HMDB00684 13.57 0.5 208.0847923 209.0926173 C8H8N 118.0656708 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 9316 1 [M+H] YGPSJZOEDVAXAB-UHFFFAOYSA-N C10H12N2O3 KYNURENINE HMDB00684 13.57 0.5 208.0847923 209.0926173 C6NH8 94.0656708 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 8282 1 [M+H] PFDUUKDQEHURQC-UHFFFAOYSA-N C10H13NO4 3-METHOXYTYROSINE HMDB01434 12.2 0.5 211.0844579 212.0922829 C9H12NO2 166.0867992 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 8282 1 [M+H] PFDUUKDQEHURQC-UHFFFAOYSA-N C10H13NO4 3-METHOXYTYROSINE HMDB01434 12.2 0.5 211.0844579 212.0922829 C8H9O3 153.0551664 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 8282 1 [M+H] PFDUUKDQEHURQC-UHFFFAOYSA-N C10H13NO4 3-METHOXYTYROSINE HMDB01434 12.2 0.5 211.0844579 212.0922829 C9H9O2 149.0602514 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 12682 1 [M+H] AUTOLBMXDDTRRT-JGVFFNPUSA-N C10H18N2O3 DETHIOBIOTIN HMDB03581 18.6 0.5 214.1317425 215.1395675 C10H15N2O 179.118432 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 12682 1 [M+H] AUTOLBMXDDTRRT-JGVFFNPUSA-N C10H18N2O3 DETHIOBIOTIN HMDB03581 18.6 0.5 214.1317425 215.1395675 C9H14N 136.1126184 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 12682 1 [M+H] AUTOLBMXDDTRRT-JGVFFNPUSA-N C10H18N2O3 DETHIOBIOTIN HMDB03581 18.6 0.5 214.1317425 215.1395675 C8H13 109.1017198 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 5717 1 [M+H] GNISQJGXJIDKDJ-YFKPBYRVSA-N C8H13NO6 O-SUCCINYL-HOMOSERINE 8.2 1 219.0742872 220.0821122 C4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 5717 1 [M+H] GNISQJGXJIDKDJ-YFKPBYRVSA-N C8H13NO6 O-SUCCINYL-HOMOSERINE 8.2 1 219.0742872 220.0821122 C3H8NO 74.0605858 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 5717 1 [M+H] GNISQJGXJIDKDJ-YFKPBYRVSA-N C8H13NO6 O-SUCCINYL-HOMOSERINE 8.2 1 219.0742872 220.0821122 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 6853 1 [M+H] GHOKWGTUZJEAQD-ZETCQYMHSA-N C9H17NO5 PANTOTHENATE HMDB00210 10 0.5 219.1106727 220.1184977 C7H10NO 124.076235 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 6853 1 [M+H] GHOKWGTUZJEAQD-ZETCQYMHSA-N C9H17NO5 PANTOTHENATE HMDB00210 10 0.5 219.1106727 220.1184977 C4H4NO2 98.0242024 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 6853 1 [M+H] GHOKWGTUZJEAQD-ZETCQYMHSA-N C9H17NO5 PANTOTHENATE HMDB00210 10 0.5 219.1106727 220.1184977 C3H8NO2 90.0555008 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 2811 1 [M+H] OVRNDRQMDRJTHS-RTRLPJTCSA-N C8H15NO6 "N-ACETYLGLUCOSAMINE,N-ACETYLMANNOSAMINE,N-ACETYLGALACTOSAMINE" HMDB00215 4.1 2 221.0899372 222.0977622 C6H10NO3 144.066065 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 2811 1 [M+H] OVRNDRQMDRJTHS-RTRLPJTCSA-N C8H15NO6 "N-ACETYLGLUCOSAMINE,N-ACETYLMANNOSAMINE,N-ACETYLGALACTOSAMINE" HMDB00215 4.1 2 221.0899372 222.0977622 C7O2NH8 138.0555008 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 2811 1 [M+H] OVRNDRQMDRJTHS-RTRLPJTCSA-N C8H15NO6 "N-ACETYLGLUCOSAMINE,N-ACETYLMANNOSAMINE,N-ACETYLGALACTOSAMINE" HMDB00215 4.1 2 221.0899372 222.0977622 C6NO2H8 126.0555008 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3638 1 [M+H] ILRYLPWNYFXEMH-WHFBIAKZSA-N C7H14N2O4S CYSTATHIONINE HMDB00099 5.4 0.5 222.0674276 223.0752526 C4H8NO2S 134.0275728 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3638 1 [M+H] ILRYLPWNYFXEMH-WHFBIAKZSA-N C7H14N2O4S CYSTATHIONINE HMDB00099 5.4 0.5 222.0674276 223.0752526 C3H6NS 88.0220936 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3638 1 [M+H] ILRYLPWNYFXEMH-WHFBIAKZSA-N C7H14N2O4S CYSTATHIONINE HMDB00099 5.4 0.5 222.0674276 223.0752526 C3H6N 56.0500216 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 9503 1 [M+H] FBTSQILOGYXGMD-LURJTMIESA-N C9H10N2O5 3-NITRO-L-TYROSINE HMDB0001904 14.1 0.5 226.058972 227.066797 C8H9N2O3 181.0613144 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 9503 1 [M+H] FBTSQILOGYXGMD-LURJTMIESA-N C9H10N2O5 3-NITRO-L-TYROSINE HMDB0001904 14.1 0.5 226.058972 227.066797 C7H6NO4 168.0296816 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 9503 1 [M+H] FBTSQILOGYXGMD-LURJTMIESA-N C9H10N2O5 3-NITRO-L-TYROSINE HMDB0001904 14.1 0.5 226.058972 227.066797 C7H5N2 117.045271 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6298 1 [M+H] CQOVPNPJLQNMDC-ZETCQYMHSA-N C9H14N4O3 CARNOSINE HMDB00033 9.02 0.5 226.1065903 227.1144153 C6H10N3O2 156.077298 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6298 1 [M+H] CQOVPNPJLQNMDC-ZETCQYMHSA-N C9H14N4O3 CARNOSINE HMDB00033 9.02 0.5 226.1065903 227.1144153 C6H8N3 122.0718188 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6298 1 [M+H] CQOVPNPJLQNMDC-ZETCQYMHSA-N C9H14N4O3 CARNOSINE HMDB00033 9.02 0.5 226.1065903 227.1144153 C5H8N3 110.0718188 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 7238 1 [M+H] CKTSBUTUHBMZGZ-SHYZEUOFSA-N C9H13N3O4 DEOXYCYTIDINE HMDB00014 10.3 0.5 227.0906059 228.0984309 QEP1_2021_0823_RJ_21_2ab55prm.raw 7238 1 [M+H] CKTSBUTUHBMZGZ-SHYZEUOFSA-N C9H13N3O4 DEOXYCYTIDINE HMDB00014 10.3 0.5 227.0906059 228.0984309 C4H6N3O 112.0510846 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 7238 1 [M+H] CKTSBUTUHBMZGZ-SHYZEUOFSA-N C9H13N3O4 DEOXYCYTIDINE HMDB00014 10.3 0.5 227.0906059 228.0984309 C4H3N2O 95.0245368 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 5677 1 [M+H] MXHRCPNRJAMMIM-SHYZEUOFSA-N C9H12N2O5 DEOXYURIDINE HMDB00012 8.14 1 228.0746215 229.0824465 QEP1_2021_0823_RJ_26_2cd55prm.raw 5677 1 [M+H] MXHRCPNRJAMMIM-SHYZEUOFSA-N C9H12N2O5 DEOXYURIDINE HMDB00012 8.14 1 228.0746215 229.0824465 C4H5N2O2 113.035101 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 5677 1 [M+H] MXHRCPNRJAMMIM-SHYZEUOFSA-N C9H12N2O5 DEOXYURIDINE HMDB00012 8.14 1 228.0746215 229.0824465 C5H7O2 99.0446022 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 15215 1 [M+H] DRLFMBDRBRZALE-UHFFFAOYSA-N C13H16N2O2 MELATONIN HMDB01389 22.25 0.5 232.1211778 233.1290028 C11H12NO 174.0918842 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 15215 1 [M+H] DRLFMBDRBRZALE-UHFFFAOYSA-N C13H16N2O2 MELATONIN HMDB01389 22.25 0.5 232.1211778 233.1290028 C10H9NO 159.0684104 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 15215 1 [M+H] DRLFMBDRBRZALE-UHFFFAOYSA-N C13H16N2O2 MELATONIN HMDB01389 22.25 0.5 232.1211778 233.1290028 C10H9N 143.0734954 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3230 1 [M+H] LEVWYRKDKASIDU-IMJSIDKUSA-N C6H12N2O4S2 CYSTINE HMDB00192 4.7 2 240.0238483 241.0316733 C3H6NO2S2 151.9839956 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3230 1 [M+H] LEVWYRKDKASIDU-IMJSIDKUSA-N C6H12N2O4S2 CYSTINE HMDB00192 4.7 2 240.0238483 241.0316733 C3H6NO2S 120.0119236 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3230 1 [M+H] LEVWYRKDKASIDU-IMJSIDKUSA-N C6H12N2O4S2 CYSTINE HMDB00192 4.7 2 240.0238483 241.0316733 C2H4NO2 74.0242024 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 6081 1 [M+H] MYYIAHXIVFADCU-QMMMGPOBSA-N C10H16N4O3 ANSERINE HMDB00194 9 0.5 240.1222404 241.1300654 C7H12N3O2 170.0929472 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 6081 1 [M+H] MYYIAHXIVFADCU-QMMMGPOBSA-N C10H16N4O3 ANSERINE HMDB00194 9 0.5 240.1222404 241.1300654 C6H12N3 126.1031172 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 6081 1 [M+H] MYYIAHXIVFADCU-QMMMGPOBSA-N C10H16N4O3 ANSERINE HMDB00194 9 0.5 240.1222404 241.1300654 C6H9N2 109.0765694 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 15655 1 [M+H] ZJTJUVIJVLLGSP-UHFFFAOYSA-N C12H10N4O2 LUMICHROME 1086-80-2 22.8 1 242.080376 243.088201 C11H10N3O2 216.077298 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 15655 1 [M+H] ZJTJUVIJVLLGSP-UHFFFAOYSA-N C12H10N4O2 LUMICHROME 1086-80-2 22.8 1 242.080376 243.088201 C11H8N3O 198.0667338 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 15655 1 [M+H] ZJTJUVIJVLLGSP-UHFFFAOYSA-N C12H10N4O2 LUMICHROME 1086-80-2 22.8 1 242.080376 243.088201 C10H10N3 172.087468 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 6949 1 [M+H] IQFYYKKMVGJFEH-XLPZGREQSA-N C10H14N2O5 THYMIDINE HMDB00273 10 0.5 242.0902716 243.0980966 C5N2O2H7 127.0507502 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 6949 1 [M+H] IQFYYKKMVGJFEH-XLPZGREQSA-N C10H14N2O5 THYMIDINE HMDB00273 10 0.5 242.0902716 243.0980966 C5NO2H4 110.0242024 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 6949 1 [M+H] IQFYYKKMVGJFEH-XLPZGREQSA-N C10H14N2O5 THYMIDINE HMDB00273 10 0.5 242.0902716 243.0980966 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 6493 1 [M+H] UHDGCWIWMRVCDJ-XVFCMESISA-N C9H13N3O5 CYTIDINE HMDB00089 9.46 0.5 243.0855205 244.0933455 C4N3OH6 112.0510846 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 6493 1 [M+H] UHDGCWIWMRVCDJ-XVFCMESISA-N C9H13N3O5 CYTIDINE HMDB00089 9.46 0.5 243.0855205 244.0933455 C4N2OH3 95.0245368 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 6493 1 [M+H] UHDGCWIWMRVCDJ-XVFCMESISA-N C9H13N3O5 CYTIDINE HMDB00089 9.46 0.5 243.0855205 244.0933455 C3H5N2 69.045271 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4551 1 [M+H] DRTQHJPVMGBUCF-XVFCMESISA-N C9H12N2O6 URIDINE HMDB00296 6.5 2 244.0695361 245.0773611 C4H5N2O2 113.035101 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4551 1 [M+H] DRTQHJPVMGBUCF-XVFCMESISA-N C9H12N2O6 URIDINE HMDB00296 6.5 2 244.0695361 245.0773611 C4H2NO2 96.0085532 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4551 1 [M+H] DRTQHJPVMGBUCF-XVFCMESISA-N C9H12N2O6 URIDINE HMDB00296 6.5 2 244.0695361 245.0773611 C3H4NO 70.0292874 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 11124 1 [M+H] YBJHBAHKTGYVGT-ZKWXMUAHSA-N C10H16N2O3S BIOTIN HMDB00030 16.5 0.5 244.0881631 245.0959881 C10H13N2OS 209.0748548 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 11124 1 [M+H] YBJHBAHKTGYVGT-ZKWXMUAHSA-N C10H16N2O3S BIOTIN HMDB00030 16.5 0.5 244.0881631 245.0959881 C9H12NS 166.0690412 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 11124 1 [M+H] YBJHBAHKTGYVGT-ZKWXMUAHSA-N C10H16N2O3S BIOTIN HMDB00030 16.5 0.5 244.0881631 245.0959881 C4H5N2O 97.040186 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 12060 1 [M+H] GUNURVWAJRRUAV-UHFFFAOYSA-N C12H28N4O N1-ACETYLSPERMINE HMDB01186 17.8 0.5 244.2263115 245.2341365 C7H14N 112.1126184 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 12060 1 [M+H] GUNURVWAJRRUAV-UHFFFAOYSA-N C12H28N4O N1-ACETYLSPERMINE HMDB01186 17.8 0.5 244.2263115 245.2341365 C5H10NO 100.076235 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 12060 1 [M+H] GUNURVWAJRRUAV-UHFFFAOYSA-N C12H28N4O N1-ACETYLSPERMINE HMDB01186 17.8 0.5 244.2263115 245.2341365 C5H10N 84.08132 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 14244 1 [M+H] DZTHIGRZJZPRDV-UHFFFAOYSA-N C13H14N2O3 N-ACETYLTRYPTOPHAN 87-32-1 10.72 0.5 246.1004423 247.1082673 C11H10NO2 188.07115 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 14244 1 [M+H] DZTHIGRZJZPRDV-UHFFFAOYSA-N C13H14N2O3 N-ACETYLTRYPTOPHAN 87-32-1 10.72 0.5 246.1004423 247.1082673 C10H11N2 159.0922186 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 14244 1 [M+H] DZTHIGRZJZPRDV-UHFFFAOYSA-N C13H14N2O3 N-ACETYLTRYPTOPHAN 87-32-1 10.72 0.5 246.1004423 247.1082673 C9H8NO 146.0605858 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 8861 1 [M+H] QNGIKJLVQNCRRC-UHFFFAOYSA-N C4H12N2Se2 SELENOCYSTAMINE 3542-13-0 12.9 0.5 247.93309 248.940915 C2H6NSe2 203.8830636 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 8861 1 [M+H] QNGIKJLVQNCRRC-UHFFFAOYSA-N C4H12N2Se2 SELENOCYSTAMINE 3542-13-0 12.9 0.5 247.93309 248.940915 C2H3Se2 186.8565158 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 8861 1 [M+H] QNGIKJLVQNCRRC-UHFFFAOYSA-N C4H12N2Se2 SELENOCYSTAMINE 3542-13-0 12.9 0.5 247.93309 248.940915 C2H4NSe 121.9508934 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 8969 1 [M+H] XGYIMTFOTBMPFP-KQYNXXCUSA-N C10H13N5O3 5'-DEOXYADENOSINE HMDB01983 13.3 0.5 251.1018393 252.1096643 C5H6N5 136.0623176 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 8969 1 [M+H] XGYIMTFOTBMPFP-KQYNXXCUSA-N C10H13N5O3 5'-DEOXYADENOSINE HMDB01983 13.3 0.5 251.1018393 252.1096643 C5H3N4 119.0357698 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 8969 1 [M+H] XGYIMTFOTBMPFP-KQYNXXCUSA-N C10H13N5O3 5'-DEOXYADENOSINE HMDB01983 13.3 0.5 251.1018393 252.1096643 C3H5O2 73.028953 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7955 1 [M+H] OLXZPDWKRNYJJZ-RRKCRQDMSA-N C10H13N5O3 DEOXYADENOSINE HMDB00101 11.7 0.5 251.1018393 252.1096643 QEP1_2021_0823_RJ_61_4ab55prm.raw 7955 1 [M+H] OLXZPDWKRNYJJZ-RRKCRQDMSA-N C10H13N5O3 DEOXYADENOSINE HMDB00101 11.7 0.5 251.1018393 252.1096643 C5H6N5 136.0623176 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7955 1 [M+H] OLXZPDWKRNYJJZ-RRKCRQDMSA-N C10H13N5O3 DEOXYADENOSINE HMDB00101 11.7 0.5 251.1018393 252.1096643 C5H7O2 99.0446022 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2647 1 [M+H] MTDHILKWIRSIHB-QZABAPFNSA-N C6H13NO8S GLUCOSAMINE 6-SULFATE HMDB00592 3.9 2 259.0361871 260.0440121 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2647 1 [M+H] MTDHILKWIRSIHB-QZABAPFNSA-N C6H13NO8S GLUCOSAMINE 6-SULFATE HMDB00592 3.9 2 259.0361871 260.0440121 C3H6NO 72.0449366 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2647 1 [M+H] MTDHILKWIRSIHB-QZABAPFNSA-N C6H13NO8S GLUCOSAMINE 6-SULFATE HMDB00592 3.9 2 259.0361871 260.0440121 C2H6NO 60.0449366 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3211 1 [M+H] XHMJOUIAFHJHBW-UKFBFLRUSA-N C6H14NO8P GLUCOSAMINE 6-PHOSPHATE HMDB01254 4.3 2 259.0457029 260.0535279 C6H8NO2 126.0555008 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3211 1 [M+H] XHMJOUIAFHJHBW-UKFBFLRUSA-N C6H14NO8P GLUCOSAMINE 6-PHOSPHATE HMDB01254 4.3 2 259.0457029 260.0535279 C5H8NO 98.0605858 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3211 1 [M+H] XHMJOUIAFHJHBW-UKFBFLRUSA-N C6H14NO8P GLUCOSAMINE 6-PHOSPHATE HMDB01254 4.3 2 259.0457029 260.0535279 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 9360 1 [M+] JZRWCGZRTZMZEH-UHFFFAOYSA-N C12H17N4OS THIAMINE HMDB00235 14 0.5 265.1123069 265.1123069 C6H10NOS 144.048307 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 9360 1 [M+] JZRWCGZRTZMZEH-UHFFFAOYSA-N C12H17N4OS THIAMINE HMDB00235 14 0.5 265.1123069 265.1123069 C6H8N3 122.0718188 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 9360 1 [M+] JZRWCGZRTZMZEH-UHFFFAOYSA-N C12H17N4OS THIAMINE HMDB00235 14 0.5 265.1123069 265.1123069 C4H5N2 81.045271 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7556 1 [M+H] OIRDTQYFTABQOQ-KQYNXXCUSA-N C10H13N5O4 ADENOSINE HMDB00050 11.1 0.5 267.0967539 268.1045789 QEP1_2021_0823_RJ_61_4ab55prm.raw 7556 1 [M+H] OIRDTQYFTABQOQ-KQYNXXCUSA-N C10H13N5O4 ADENOSINE HMDB00050 11.1 0.5 267.0967539 268.1045789 C5H6N5 136.0623176 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7556 1 [M+H] OIRDTQYFTABQOQ-KQYNXXCUSA-N C10H13N5O4 ADENOSINE HMDB00050 11.1 0.5 267.0967539 268.1045789 C5H3N4 119.0357698 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 7047 1 [M+H] YKBGVTZYEHREMT-KVQBGUIXSA-N C10H13N5O4 DEOXYGUANOSINE HMDB00124 10.4 0.5 267.0967539 268.1045789 C5H6N5O 152.0572326 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 7047 1 [M+H] YKBGVTZYEHREMT-KVQBGUIXSA-N C10H13N5O4 DEOXYGUANOSINE HMDB00124 10.4 0.5 267.0967539 268.1045789 C5H3N4O 135.0306848 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 7047 1 [M+H] YKBGVTZYEHREMT-KVQBGUIXSA-N C10H13N5O4 DEOXYGUANOSINE HMDB00124 10.4 0.5 267.0967539 268.1045789 C4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 5746 1 [M+H] ZTVZLYBCZNMWCF-UHFFFAOYSA-N C8H16N2O4S2 HOMOCYSTINE HMDB00575 8.5 0.5 268.0551484 269.0629734 C4H8NO2S 134.0275728 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 5746 1 [M+H] ZTVZLYBCZNMWCF-UHFFFAOYSA-N C8H16N2O4S2 HOMOCYSTINE HMDB00575 8.5 0.5 268.0551484 269.0629734 C3H8NS 90.0377428 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 5746 1 [M+H] ZTVZLYBCZNMWCF-UHFFFAOYSA-N C8H16N2O4S2 HOMOCYSTINE HMDB00575 8.5 0.5 268.0551484 269.0629734 C3H6NS 88.0220936 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 6170 1 [M+H] UGQMRVRMYYASKQ-KQYNXXCUSA-N C10H12N4O5 INOSINE HMDB00195 9 0.5 268.0807695 269.0885945 QEP1_2021_0823_RJ_06_1ab55prm.raw 6170 1 [M+H] UGQMRVRMYYASKQ-KQYNXXCUSA-N C10H12N4O5 INOSINE HMDB00195 9 0.5 268.0807695 269.0885945 C5N4OH5 137.046334 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 6170 1 [M+H] UGQMRVRMYYASKQ-KQYNXXCUSA-N C10H12N4O5 INOSINE HMDB00195 9 0.5 268.0807695 269.0885945 C4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 8842 1 [M+H] NXJAXUYOQLTISD-SECBINFHSA-O C12H21NO6 GLUTARYLCARNITINE HMDB13130 13 0.5 275.136889 276.144714 C5H7O3 115.0395172 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 8842 1 [M+H] NXJAXUYOQLTISD-SECBINFHSA-O C12H21NO6 GLUTARYLCARNITINE HMDB13130 13 0.5 275.136889 276.144714 C4H7O2 87.0446022 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 8842 1 [M+H] NXJAXUYOQLTISD-SECBINFHSA-O C12H21NO6 GLUTARYLCARNITINE HMDB13130 13 0.5 275.136889 276.144714 C4H5O2 85.028953 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 8658 1 [M+H] GFYLSDSUCHVORB-IOSLPCCCSA-N C11H15N5O4 1-METHYLADENOSINE HMDB03331 12.5 0.5 281.112404 282.120229 C6H8N5 150.0779668 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 8658 1 [M+H] GFYLSDSUCHVORB-IOSLPCCCSA-N C11H15N5O4 1-METHYLADENOSINE HMDB03331 12.5 0.5 281.112404 282.120229 C6H5N4 133.051419 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 8658 1 [M+H] GFYLSDSUCHVORB-IOSLPCCCSA-N C11H15N5O4 1-METHYLADENOSINE HMDB03331 12.5 0.5 281.112404 282.120229 C4H4N3 94.0405204 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6829 1 [M+H] NYHBQMYGNKIUIF-UUOKFMHZSA-N C10H13N5O5 GUANOSINE HMDB00133 9.81 0.5 283.0916686 284.0994936 C5H6N5O 152.0572326 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6829 1 [M+H] NYHBQMYGNKIUIF-UUOKFMHZSA-N C10H13N5O5 GUANOSINE HMDB00133 9.81 0.5 283.0916686 284.0994936 C5H3N4O 135.0306848 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6829 1 [M+H] NYHBQMYGNKIUIF-UUOKFMHZSA-N C10H13N5O5 GUANOSINE HMDB00133 9.81 0.5 283.0916686 284.0994936 C4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 6694 1 [M+H] UBORTCNDUKBEOP-UUOKFMHZSA-N C10H12N4O6 XANTHOSINE HMDB00299 9.9 0.5 284.0756841 285.0835091 C5H5N4O2 153.041249 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 6694 1 [M+H] UBORTCNDUKBEOP-UUOKFMHZSA-N C10H12N4O6 XANTHOSINE HMDB00299 9.9 0.5 284.0756841 285.0835091 C5H2N3O2 136.0147012 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 6694 1 [M+H] UBORTCNDUKBEOP-UUOKFMHZSA-N C10H12N4O6 XANTHOSINE HMDB00299 9.9 0.5 284.0756841 285.0835091 C4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 5198 1 [M+H] JCMUOFQHZLPHQP-BQBZGAKWSA-N C11H19N3O6 OPHTHALMATE HMDB05765 7.8 0.5 289.1273854 290.1352104 C7H10NO 124.076235 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 5198 1 [M+H] JCMUOFQHZLPHQP-BQBZGAKWSA-N C11H19N3O6 OPHTHALMATE HMDB05765 7.8 0.5 289.1273854 290.1352104 C4H6NO 84.0965 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 5198 1 [M+H] JCMUOFQHZLPHQP-BQBZGAKWSA-N C11H19N3O6 OPHTHALMATE HMDB05765 7.8 0.5 289.1273854 290.1352104 C3H8NO 74.1 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 11482 1 [M+H] WUUGFSXJNOTRMR-IOSLPCCCSA-N C11H15N5O3S METHYLTHIOADENOSINE HMDB01173 16.5 0.5 297.0895601 298.0973851 C5H6N5 136.0623176 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 11482 1 [M+H] WUUGFSXJNOTRMR-IOSLPCCCSA-N C11H15N5O3S METHYLTHIOADENOSINE HMDB01173 16.5 0.5 297.0895601 298.0973851 C3H7S 75.0268442 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 11482 1 [M+H] WUUGFSXJNOTRMR-IOSLPCCCSA-N C11H15N5O3S METHYLTHIOADENOSINE HMDB01173 16.5 0.5 297.0895601 298.0973851 C2H5S 61.011195 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 2935 1 [M+H] NMPZCCZXCOMSDQ-ZRTZXPPTSA-N C9H12N3O7P "CYTIDINE 2',3'-CYCLIC PHOSPHATE" HMDB11691 4.5 2 305.0412863 306.0491113 C8H8N3O2 178.0616488 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 2935 1 [M+H] NMPZCCZXCOMSDQ-ZRTZXPPTSA-N C9H12N3O7P "CYTIDINE 2',3'-CYCLIC PHOSPHATE" HMDB11691 4.5 2 305.0412863 306.0491113 C4H6N3O 112.0510846 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 2935 1 [M+H] NMPZCCZXCOMSDQ-ZRTZXPPTSA-N C9H12N3O7P "CYTIDINE 2',3'-CYCLIC PHOSPHATE" HMDB11691 4.5 2 305.0412863 306.0491113 C4H3N2O 95.0245368 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4346 1 [M+H] NCMVOABPESMRCP-SHYZEUOFSA-N C9H14N3O7P DEOXYCYTIDINE MONOPHOSPHATE HMDB01202 6 2 307.0569363 308.0647613 C4H6N3O 112.0510846 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4346 1 [M+H] NCMVOABPESMRCP-SHYZEUOFSA-N C9H14N3O7P DEOXYCYTIDINE MONOPHOSPHATE HMDB01202 6 2 307.0569363 308.0647613 C4H3N2O 95.0245368 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4346 1 [M+H] NCMVOABPESMRCP-SHYZEUOFSA-N C9H14N3O7P DEOXYCYTIDINE MONOPHOSPHATE HMDB01202 6 2 307.0569363 308.0647613 C5H5O 81.034038 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 4957 1 [M+H] GYOZYWVXFNDGLU-XLPZGREQSA-N C10H15N2O8P THYMIDINE-MONOPHOSPHATE HMDB01227 7.5 2 322.056602 323.064427 QEP1_2021_0823_RJ_61_4ab55prm.raw 4957 1 [M+H] GYOZYWVXFNDGLU-XLPZGREQSA-N C10H15N2O8P THYMIDINE-MONOPHOSPHATE HMDB01227 7.5 2 322.056602 323.064427 C5H7N2O2 127.0507502 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 4957 1 [M+H] GYOZYWVXFNDGLU-XLPZGREQSA-N C10H15N2O8P THYMIDINE-MONOPHOSPHATE HMDB01227 7.5 2 322.056602 323.064427 C5H5O 81.034038 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3674 1 [M+H] IERHLVCPSMICTF-XVFCMESISA-N C9H14N3O8P CYTIDINE MONOPHOSPHATE HMDB00095 5.4 2 323.051851 324.059676 C4H6N3O 112.0510846 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3674 1 [M+H] IERHLVCPSMICTF-XVFCMESISA-N C9H14N3O8P CYTIDINE MONOPHOSPHATE HMDB00095 5.4 2 323.051851 324.059676 C5H5O2 97.028953 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3674 1 [M+H] IERHLVCPSMICTF-XVFCMESISA-N C9H14N3O8P CYTIDINE MONOPHOSPHATE HMDB00095 5.4 2 323.051851 324.059676 C4H3N2O 95.0245368 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 4296 1 [M+H] KMYWVDDIPVNLME-UHFFFAOYSA-N C10H12N5O6P "ADENOSINE 2',3'-CYCLIC PHOSPHATE" HMDB11616 6.4 2 329.0525197 330.0603447 C5H6N5 136.0623176 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 4296 1 [M+H] KMYWVDDIPVNLME-UHFFFAOYSA-N C10H12N5O6P "ADENOSINE 2',3'-CYCLIC PHOSPHATE" HMDB11616 6.4 2 329.0525197 330.0603447 H4O4P 98.9847214 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 4296 1 [M+H] KMYWVDDIPVNLME-UHFFFAOYSA-N C10H12N5O6P "ADENOSINE 2',3'-CYCLIC PHOSPHATE" HMDB11616 6.4 2 329.0525197 330.0603447 C4H5O 69.034038 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 6021 1 [M+H] IVOMOUWHDPKRLL-KQYNXXCUSA-N C10H12N5O6P CYCLIC AMP HMDB00058 8.9 0.5 329.0525197 330.0603447 C5H6N5 136.0623176 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 6021 1 [M+H] IVOMOUWHDPKRLL-KQYNXXCUSA-N C10H12N5O6P CYCLIC AMP HMDB00058 8.9 0.5 329.0525197 330.0603447 C5H5O2 97.028953 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 6021 1 [M+H] IVOMOUWHDPKRLL-KQYNXXCUSA-N C10H12N5O6P CYCLIC AMP HMDB00058 8.9 0.5 329.0525197 330.0603447 C4H5O 69.034038 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3697 1 [M+H] DAYLJWODMCOQEW-TURQNECASA-O C11H15N2O8P NICOTINAMIDE MONONUCLEOTIDE HMDB00229 5.5 2 334.056602 335.064427 C6N2OH7 123.0558352 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3697 1 [M+H] DAYLJWODMCOQEW-TURQNECASA-O C11H15N2O8P NICOTINAMIDE MONONUCLEOTIDE HMDB00229 5.5 2 334.056602 335.064427 C5H5O2 97.028953 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3697 1 [M+H] DAYLJWODMCOQEW-TURQNECASA-O C11H15N2O8P NICOTINAMIDE MONONUCLEOTIDE HMDB00229 5.5 2 334.056602 335.064427 C5H6N 80.0500216 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 19210 1 [M+H] FUJLYHJROOYKRA-QGZVFWFLSA-O C19H37NO4 LAUROYLCARNITINE HMDB02250 28.55 0.5 343.2722587 344.2800837 C7H14NO2 144.1024484 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 19210 1 [M+H] FUJLYHJROOYKRA-QGZVFWFLSA-O C19H37NO4 LAUROYLCARNITINE HMDB02250 28.55 0.5 343.2722587 344.2800837 C4H5O2 85.028953 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 19210 1 [M+H] FUJLYHJROOYKRA-QGZVFWFLSA-O C19H37NO4 LAUROYLCARNITINE HMDB02250 28.55 0.5 343.2722587 344.2800837 C3H10N 60.08132 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 5211 1 [M+H] HZSAJDVWZRBGIF-UHFFFAOYSA-O C12H17N4O4PS THIAMINE MONOPHOSPHATE HMDB02666 7.8 1 344.0708123 345.0786373 C6H8NS 126.0377428 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 5211 1 [M+H] HZSAJDVWZRBGIF-UHFFFAOYSA-O C12H17N4O4PS THIAMINE MONOPHOSPHATE HMDB02666 7.8 1 344.0708123 345.0786373 C6H8N3 122.0718188 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 5211 1 [M+H] HZSAJDVWZRBGIF-UHFFFAOYSA-O C12H17N4O4PS THIAMINE MONOPHOSPHATE HMDB02666 7.8 1 344.0708123 345.0786373 C4H5N2 81.045271 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 5203 1 [M+H] ZOOGRGPOEVQQDX-UUOKFMHZSA-N C10H12N5O7P CYCLIC GMP HMDB01314 7.4 1 345.0474343 346.0552593 C5H6N5O 152.0572326 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 5203 1 [M+H] ZOOGRGPOEVQQDX-UUOKFMHZSA-N C10H12N5O7P CYCLIC GMP HMDB01314 7.4 1 345.0474343 346.0552593 C5H3N4O 135.0306848 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 5203 1 [M+H] ZOOGRGPOEVQQDX-UUOKFMHZSA-N C10H12N5O7P CYCLIC GMP HMDB01314 7.4 1 345.0474343 346.0552593 C4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 5440 1 [M+H] UDMBCSSLTHHNCD-KQYNXXCUSA-N C10H14N5O7P ADENOSINE-MONOPHOSPHATE HMDB00045 8.3 2 347.0630843 348.0709093 QEP1_2021_0823_RJ_26_2cd55prm.raw 5440 1 [M+H] UDMBCSSLTHHNCD-KQYNXXCUSA-N C10H14N5O7P ADENOSINE-MONOPHOSPHATE HMDB00045 8.3 2 347.0630843 348.0709093 C5H6N5 136.0623176 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 5440 1 [M+H] UDMBCSSLTHHNCD-KQYNXXCUSA-N C10H14N5O7P ADENOSINE-MONOPHOSPHATE HMDB00045 8.3 2 347.0630843 348.0709093 C5H5O2 97.028953 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 8079 1 [M+H] XNSAINXGIQZQOO-SRVKXCTJSA-N C16H22N6O4 THYROTROPIN RELEASING HORMONE HMDB60080 11.9 0.5 362.170254 363.178079 C10H13N4O2 221.1038458 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 8079 1 [M+H] XNSAINXGIQZQOO-SRVKXCTJSA-N C16H22N6O4 THYROTROPIN RELEASING HORMONE HMDB60080 11.9 0.5 362.170254 363.178079 C9H10N3O 176.082383 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 8079 1 [M+H] XNSAINXGIQZQOO-SRVKXCTJSA-N C16H22N6O4 THYROTROPIN RELEASING HORMONE HMDB60080 11.9 0.5 362.170254 363.178079 C5H8N3 110.0718188 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 18144 1 [M+H] JYGXADMDTFJGBT-VWUMJDOOSA-N C21H30O5 CORTISOL HMDB00063 26.54 0.5 362.2093241 363.2171491 C8H9O 121.0653364 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 18144 1 [M+H] JYGXADMDTFJGBT-VWUMJDOOSA-N C21H30O5 CORTISOL HMDB00063 26.54 0.5 362.2093241 363.2171491 C8H9 105.0704214 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 18144 1 [M+H] JYGXADMDTFJGBT-VWUMJDOOSA-N C21H30O5 CORTISOL HMDB00063 26.54 0.5 362.2093241 363.2171491 C6H9O 97.0653364 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 11645 1 [M+H] AUNGANRZJHBGPY-SCRDCRAPSA-N C17H20N4O6 RIBOFLAVIN HMDB00244 17.3 1 376.1382844 377.1461094 C12H11N4O2 243.0881966 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 11645 1 [M+H] AUNGANRZJHBGPY-SCRDCRAPSA-N C17H20N4O6 RIBOFLAVIN HMDB00244 17.3 1 376.1382844 377.1461094 C11H10N3O2 216.077298 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 11645 1 [M+H] AUNGANRZJHBGPY-SCRDCRAPSA-N C17H20N4O6 RIBOFLAVIN HMDB00244 17.3 1 376.1382844 377.1461094 C10H10N3 172.087468 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 8669 1 [M+H] ZJUKTBDSGOFHSH-WFMPWKQPSA-N C14H20N6O5S S-ADENOSYLHOMOCYSTEINE HMDB00939 12.7 0.5 384.1215885 385.1294135 C5H6N5 136.0623176 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 8669 1 [M+H] ZJUKTBDSGOFHSH-WFMPWKQPSA-N C14H20N6O5S S-ADENOSYLHOMOCYSTEINE HMDB00939 12.7 0.5 384.1215885 385.1294135 C4H8NO2S 134.0275728 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 8669 1 [M+H] ZJUKTBDSGOFHSH-WFMPWKQPSA-N C14H20N6O5S S-ADENOSYLHOMOCYSTEINE HMDB00939 12.7 0.5 384.1215885 385.1294135 C3H6NS 88.0220936 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 17662 1 [M+H] HXJDWCWJDCOHDG-RYUDHWBXSA-N C16H29N3O6S S-HEXYL-GLUTATHIONE 24425-56-7 26.2 0.5 391.177709 392.185534 C8H18NS 160.1159888 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 17662 1 [M+H] HXJDWCWJDCOHDG-RYUDHWBXSA-N C16H29N3O6S S-HEXYL-GLUTATHIONE 24425-56-7 26.2 0.5 391.177709 392.185534 C4H6NOS 116.0170086 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 17662 1 [M+H] HXJDWCWJDCOHDG-RYUDHWBXSA-N C16H29N3O6S S-HEXYL-GLUTATHIONE 24425-56-7 26.2 0.5 391.177709 392.185534 C4H6NO 84.0449366 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 7744 1 [M+H] MEFKEPWMEQBLKI-AIRLBKTGSA-O C15H22N6O5S S-ADENOSYLMETHIONINE HMDB01185 11.7 0.5 398.13724 399.145065 C5H6N5 136.0623176 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 7744 1 [M+H] MEFKEPWMEQBLKI-AIRLBKTGSA-O C15H22N6O5S S-ADENOSYLMETHIONINE HMDB01185 11.7 0.5 398.13724 399.145065 C4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 7744 1 [M+H] MEFKEPWMEQBLKI-AIRLBKTGSA-O C15H22N6O5S S-ADENOSYLMETHIONINE HMDB01185 11.7 0.5 398.13724 399.145065 C5H5O2 97.028953 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 18809 1 [M+H] ALEXXDVDDISNDU-JZYPGELDSA-N C23H32O6 CORTISOL 21-ACETATE 50-03-3 27.73 0.5 404.21989 405.227715 C11H13 145.1017198 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 18809 1 [M+H] ALEXXDVDDISNDU-JZYPGELDSA-N C23H32O6 CORTISOL 21-ACETATE 50-03-3 27.73 0.5 404.21989 405.227715 C8H9O 121.0653364 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 18809 1 [M+H] ALEXXDVDDISNDU-JZYPGELDSA-N C23H32O6 CORTISOL 21-ACETATE 50-03-3 27.73 0.5 404.21989 405.227715 C6H9O 97.0653364 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14228 1 [M+H] NYPYHUZRZVSYKL-ZETCQYMHSA-N C9H9I2NO3 "3,5-DIIODO-L-TYROSINE" HMDB03474 20.7 0.5 432.86718 433.875005 C8H8I2NO 387.8695398 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14228 1 [M+H] NYPYHUZRZVSYKL-ZETCQYMHSA-N C9H9I2NO3 "3,5-DIIODO-L-TYROSINE" HMDB03474 20.7 0.5 432.86718 433.875005 C8H8INO 260.9650628 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14228 1 [M+H] NYPYHUZRZVSYKL-ZETCQYMHSA-N C9H9I2NO3 "3,5-DIIODO-L-TYROSINE" HMDB03474 20.7 0.5 432.86718 433.875005 C6H5IO 219.938515 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3261 1 [M+H] WVIMUEUQJFPNDK-PEBGCTIMSA-N C11H20N4O11P2 CDP-ETHANOLAMINE HMDB01564 4.87 2 446.0603805 447.0682055 C2H7NO3P 124.0163542 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3261 1 [M+H] WVIMUEUQJFPNDK-PEBGCTIMSA-N C11H20N4O11P2 CDP-ETHANOLAMINE HMDB01564 4.87 2 446.0603805 447.0682055 C4H6N3O 112.0510846 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3261 1 [M+H] WVIMUEUQJFPNDK-PEBGCTIMSA-N C11H20N4O11P2 CDP-ETHANOLAMINE HMDB01564 4.87 2 446.0603805 447.0682055 C5H5O2 97.028953 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 19019 1 [M+H] GHCZAUBVMUEKKP-GYPHWSFCSA-N C26H43NO5 GLYCOCHENODEOXYCHOLATE HMDB00637 28.02 0.5 449.314124 450.321949 C10H13 133.1017198 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 19019 1 [M+H] GHCZAUBVMUEKKP-GYPHWSFCSA-N C26H43NO5 GLYCOCHENODEOXYCHOLATE HMDB00637 28.02 0.5 449.314124 450.321949 C8H11 107.0860706 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 19019 1 [M+H] GHCZAUBVMUEKKP-GYPHWSFCSA-N C26H43NO5 GLYCOCHENODEOXYCHOLATE HMDB00637 28.02 0.5 449.314124 450.321949 C2H6NO2 76.0398516 1 QEP1_2021_1216_RJ_35_mix4.raw 18666 1 [M+H] RFDAIACWWDREDC-FRVQLJSFSA-N C26H43NO6 GLYCOCHOLATE HMDB00138 27.4 0.5 465.3090381 466.3168631 C16H17 209.1330182 1 QEP1_2021_1216_RJ_35_mix4.raw 18666 1 [M+H] RFDAIACWWDREDC-FRVQLJSFSA-N C26H43NO6 GLYCOCHOLATE HMDB00138 27.4 0.5 465.3090381 466.3168631 C12H13 157.1017198 1 QEP1_2021_1216_RJ_35_mix4.raw 18666 1 [M+H] RFDAIACWWDREDC-FRVQLJSFSA-N C26H43NO6 GLYCOCHOLATE HMDB00138 27.4 0.5 465.3090381 466.3168631 C9H11 119.0860706 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3822 1 [M+H] RZZPDXZPRHQOCG-OJAKKHQRSA-O C14H26N4O11P2 CITICOLINE HMDB01413 5.7 2 488.1073307 489.1151557 C5H15NO4P 184.073866 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3822 1 [M+H] RZZPDXZPRHQOCG-OJAKKHQRSA-O C14H26N4O11P2 CITICOLINE HMDB01413 5.7 2 488.1073307 489.1151557 C2H6O4P 125.0003706 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3822 1 [M+H] RZZPDXZPRHQOCG-OJAKKHQRSA-O C14H26N4O11P2 CITICOLINE HMDB01413 5.7 2 488.1073307 489.1151557 C5H12N 86.0969692 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 17796 1 [M+H] ZHSOTLOTTDYIIK-UHFFFAOYSA-N C15H13I2NO4 "3,5-DIIODO-L-THYRONINE" HMDB00582 26.82 0.5 524.8933947 525.9012197 C14H12INO2 352.9912762 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 17796 1 [M+H] ZHSOTLOTTDYIIK-UHFFFAOYSA-N C15H13I2NO4 "3,5-DIIODO-L-THYRONINE" HMDB00582 26.82 0.5 524.8933947 525.9012197 C13H10IO2 324.972553 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 17796 1 [M+H] ZHSOTLOTTDYIIK-UHFFFAOYSA-N C15H13I2NO4 "3,5-DIIODO-L-THYRONINE" HMDB00582 26.82 0.5 524.8933947 525.9012197 C8H7INO 259.9572382 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4622 1 [M+H] CHJJGSNFBQVOTG-UHFFFAOYSA-N C'2H7N3 METHYLGUANIDINE HMDB01522 6.7 1 73.06399724 74.07182224 QEP1_2021_0823_RJ_26_2cd55prm.raw 4622 1 [M+H] CHJJGSNFBQVOTG-UHFFFAOYSA-N C'2H7N3 METHYLGUANIDINE HMDB01522 6.7 1 73.06399724 74.07182224 QEP1_2021_0823_RJ_26_2cd55prm.raw 4622 1 [M+H] CHJJGSNFBQVOTG-UHFFFAOYSA-N C'2H7N3 METHYLGUANIDINE HMDB01522 6.7 1 73.06399724 74.07182224 C'2H5N2 57.045271 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 5909 1 [M+H] XFNJVJPLKCPIBV-UHFFFAOYSA-N C'3H10N2 "1,3-DIAMINOPROPANE" HMDB00002 8.9 2 74.08439833 75.09222333 QEP1_2021_0823_RJ_31_2ef55prm.raw 5909 1 [M+H] XFNJVJPLKCPIBV-UHFFFAOYSA-N C'3H10N2 "1,3-DIAMINOPROPANE" HMDB00002 8.9 2 74.08439833 75.09222333 QEP1_2021_0823_RJ_31_2ef55prm.raw 5909 1 [M+H] XFNJVJPLKCPIBV-UHFFFAOYSA-N C'3H10N2 "1,3-DIAMINOPROPANE" HMDB00002 8.9 2 74.08439833 75.09222333 C'3H8N 58.0656708 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3082 1 [M+H] DHMQDGOQFOQNFH-UHFFFAOYSA-N C'2H5NO2 GLYCINE HMDB00123 4.5 2 75.03202841 76.03985341 QEP1_2021_0823_RJ_11_1cd55prm.raw 3082 1 [M+H] DHMQDGOQFOQNFH-UHFFFAOYSA-N C'2H5NO2 GLYCINE HMDB00123 4.5 2 75.03202841 76.03985341 QEP1_2021_0823_RJ_11_1cd55prm.raw 3082 1 [M+H] DHMQDGOQFOQNFH-UHFFFAOYSA-N C'2H5NO2 GLYCINE HMDB00123 4.5 2 75.03202841 76.03985341 QEP1_2021_0823_RJ_06_1ab55prm.raw 2877 1 [M+H] KFFQABQEJATQAT-UHFFFAOYSA-N C'H4N2S THIOUREA HMDB34155 4.2 1 76.00951883 77.01734383 QEP1_2021_0823_RJ_06_1ab55prm.raw 2877 1 [M+H] KFFQABQEJATQAT-UHFFFAOYSA-N C'H4N2S THIOUREA HMDB34155 4.2 1 76.00951883 77.01734383 QEP1_2021_0823_RJ_06_1ab55prm.raw 2877 1 [M+H] KFFQABQEJATQAT-UHFFFAOYSA-N C'H4N2S THIOUREA HMDB34155 4.2 1 76.00951883 77.01734383 C'NSH2 59.9907952 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6263 1 [M+H] KIDHWZJUCRJVML-UHFFFAOYSA-N C'4H12N2 PUTRESCINE HMDB01414 9 1 88.10004839 89.10787339 QEP1_2021_0823_RJ_26_2cd55prm.raw 6263 1 [M+H] KIDHWZJUCRJVML-UHFFFAOYSA-N C'4H12N2 PUTRESCINE HMDB01414 9 1 88.10004839 89.10787339 C'4H10N 72.08132 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6263 1 [M+H] KIDHWZJUCRJVML-UHFFFAOYSA-N C'4H12N2 PUTRESCINE HMDB01414 9 1 88.10004839 89.10787339 C'4H7 55.0547722 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3475 1 [M+H] QNAYBMKLOCPYGJ-REOHCLBHSA-N C'3H7NO2 "L-ALANINE,SARCOSINE" HMDB00161 5 2 89.04767847 90.05550347 QEP1_2021_0823_RJ_16_1ef55prm.raw 3475 1 [M+H] QNAYBMKLOCPYGJ-REOHCLBHSA-N C'3H7NO2 "L-ALANINE,SARCOSINE" HMDB00161 5 2 89.04767847 90.05550347 QEP1_2021_0823_RJ_16_1ef55prm.raw 3475 1 [M+H] QNAYBMKLOCPYGJ-REOHCLBHSA-N C'3H7NO2 "L-ALANINE,SARCOSINE" HMDB00161 5 2 89.04767847 90.05550347 QEP1_2021_0823_RJ_86_5cd55prm.raw 3725 1 [M+H] UCMIRNVEIXFBKS-UHFFFAOYSA-N C'3H7NO2 BETA-ALANINE HMDB00056 5.6 2 89.047679 90.055504 QEP1_2021_0823_RJ_86_5cd55prm.raw 3725 1 [M+H] UCMIRNVEIXFBKS-UHFFFAOYSA-N C'3H7NO2 BETA-ALANINE HMDB00056 5.6 2 89.047679 90.055504 C'3H6NO 72.0449366 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 3725 1 [M+H] UCMIRNVEIXFBKS-UHFFFAOYSA-N C'3H7NO2 BETA-ALANINE HMDB00056 5.6 2 89.047679 90.055504 C'2H5O2 61.028953 1 QEP1_2021_0823_RJ_91_5ef55prm.raw na 1 [M+H] UBQKCCHYAOITMY-UHFFFAOYSA-N C'5H5NO 2-HYDROXYPYRIDINE HMDB13751 7.35 2 95.03711379 96.04493879 QEP1_2021_0823_RJ_91_5ef55prm.raw na 1 [M+H] UBQKCCHYAOITMY-UHFFFAOYSA-N C'5H5NO 2-HYDROXYPYRIDINE HMDB13751 7.35 2 95.03711379 96.04493879 QEP1_2021_0823_RJ_91_5ef55prm.raw na 1 [M+H] UBQKCCHYAOITMY-UHFFFAOYSA-N C'5H5NO 2-HYDROXYPYRIDINE HMDB13751 7.35 2 95.03711379 96.04493879 C'5H4N 78.0343724 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7822 1 [M+H] OZJPLYNZGCXSJM-UHFFFAOYSA-N C'5H8O2 5-VALEROLACTONE 542-28-9 11.3 0.5 100.05243 101.060255 C'5H7O 83.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7822 1 [M+H] OZJPLYNZGCXSJM-UHFFFAOYSA-N C'5H8O2 5-VALEROLACTONE 542-28-9 11.3 0.5 100.05243 101.060255 C'3H7O 59.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7822 1 [M+H] OZJPLYNZGCXSJM-UHFFFAOYSA-N C'5H8O2 5-VALEROLACTONE 542-28-9 11.3 0.5 100.05243 101.060255 C'4H7 55.0547722 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3837 1 [M+H] PAJPWUMXBYXFCZ-UHFFFAOYSA-N C'4H7NO2 1-AMINOCYCLOPROPANECARBOXYLATE HMDB36458 5.68 0.5 101.0476785 102.0555035 QEP1_2021_0823_RJ_31_2ef55prm.raw 3837 1 [M+H] PAJPWUMXBYXFCZ-UHFFFAOYSA-N C'4H7NO2 1-AMINOCYCLOPROPANECARBOXYLATE HMDB36458 5.68 0.5 101.0476785 102.0555035 C'3H8NO 74.0605858 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3837 1 [M+H] PAJPWUMXBYXFCZ-UHFFFAOYSA-N C'4H7NO2 1-AMINOCYCLOPROPANECARBOXYLATE HMDB36458 5.68 0.5 101.0476785 102.0555035 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 6700 1 [M+H] VHRGRCVQAFMJIZ-UHFFFAOYSA-N C'5H14N2 CADAVERINE HMDB02322 10.67 0.5 102.1156985 103.1235235 QEP1_2021_0823_RJ_71_4ef55prm.raw 6700 1 [M+H] VHRGRCVQAFMJIZ-UHFFFAOYSA-N C'5H14N2 CADAVERINE HMDB02322 10.67 0.5 102.1156985 103.1235235 C'5H12N 86.0969692 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 6700 1 [M+H] VHRGRCVQAFMJIZ-UHFFFAOYSA-N C'5H14N2 CADAVERINE HMDB02322 10.67 0.5 102.1156985 103.1235235 C'5H9 69.0704214 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 3922 1 [M+H] FUOOLUPWFVMBKG-UHFFFAOYSA-N C'4H9NO2 2-AMINOISOBUTYRATE HMDB01906 5.8 0.5 103.0633285 104.0711535 QEP1_2021_0823_RJ_66_4cd55prm.raw 3922 1 [M+H] FUOOLUPWFVMBKG-UHFFFAOYSA-N C'4H9NO2 2-AMINOISOBUTYRATE HMDB01906 5.8 0.5 103.0633285 104.0711535 C'3H7O 59.0496872 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 3922 1 [M+H] FUOOLUPWFVMBKG-UHFFFAOYSA-N C'4H9NO2 2-AMINOISOBUTYRATE HMDB01906 5.8 0.5 103.0633285 104.0711535 C'3H8N 58.0656708 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4558 1 [M+H] QCHPKSFMDHPSNR-UHFFFAOYSA-N C'4H9NO2 AMINOISOBUTANOATE HMDB03911 6.6 1 103.0633285 104.0711535 C'4H8NO 86.0605858 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4558 1 [M+H] QCHPKSFMDHPSNR-UHFFFAOYSA-N C'4H9NO2 AMINOISOBUTANOATE HMDB03911 6.6 1 103.0633285 104.0711535 C'3H7O2 75.0446022 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4558 1 [M+H] QCHPKSFMDHPSNR-UHFFFAOYSA-N C'4H9NO2 AMINOISOBUTANOATE HMDB03911 6.6 1 103.0633285 104.0711535 C'3H5O 57.034038 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4103 1 [M+H] BTCSSZJGUNDROE-UHFFFAOYSA-N C'4H9NO2 GAMMA-AMINOBUTYRATE HMDB00112 6 1 103.0633285 104.0711535 C'4O2H7 87.0446022 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4103 1 [M+H] BTCSSZJGUNDROE-UHFFFAOYSA-N C'4H9NO2 GAMMA-AMINOBUTYRATE HMDB00112 6 1 103.0633285 104.0711535 C'4H8NO 86.0605858 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4103 1 [M+H] BTCSSZJGUNDROE-UHFFFAOYSA-N C'4H9NO2 GAMMA-AMINOBUTYRATE HMDB00112 6 1 103.0633285 104.0711535 C'4OH5 69.034038 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 4202 1 [M+] OEYIOHPDSNJKLS-UHFFFAOYSA-N C'5H14NO CHOLINE HMDB00097 6.1 1 104.1075391 104.1075391 QEP1_2021_0823_RJ_61_4ab55prm.raw 4202 1 [M+] OEYIOHPDSNJKLS-UHFFFAOYSA-N C'5H14NO CHOLINE HMDB00097 6.1 1 104.1075391 104.1075391 C'3H10N 60.08132 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 4202 1 [M+] OEYIOHPDSNJKLS-UHFFFAOYSA-N C'5H14NO CHOLINE HMDB00097 6.1 1 104.1075391 104.1075391 C'3H8N 58.0656708 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 3591 1 [M+H] PECYZEOJVXMISF-REOHCLBHSA-N C'3H8N2O2 "2,3-DIAMINOPROPIONATE" HMDB02006 5.4 1.5 104.0585775 105.0664025 C'2H6NO2 76.0398516 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 3591 1 [M+H] PECYZEOJVXMISF-REOHCLBHSA-N C'3H8N2O2 "2,3-DIAMINOPROPIONATE" HMDB02006 5.4 1.5 104.0585775 105.0664025 C'3H4NO 70.0292874 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 3591 1 [M+H] PECYZEOJVXMISF-REOHCLBHSA-N C'3H8N2O2 "2,3-DIAMINOPROPIONATE" HMDB02006 5.4 1.5 104.0585775 105.0664025 C'2H7N2 59.0609202 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 12002 1 [M+H-H2O] WAPNOHKVXSQRPX-UHFFFAOYSA-N C'8H10O 1-PHENYLETHANOL HMDB32619 17.6 0.5 122.0731649 105.0704257 QEP1_2021_0823_RJ_106_6cd55prm.raw 12002 1 [M+H-H2O] WAPNOHKVXSQRPX-UHFFFAOYSA-N C'8H10O 1-PHENYLETHANOL HMDB32619 17.6 0.5 122.0731649 105.0704257 QEP1_2021_0823_RJ_106_6cd55prm.raw 12002 1 [M+H-H2O] WAPNOHKVXSQRPX-UHFFFAOYSA-N C'8H10O 1-PHENYLETHANOL HMDB32619 17.6 0.5 122.0731649 105.0704257 C'6H7 79.0547722 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 2954 1 [M+H] MTCFGRXMJLQNBG-REOHCLBHSA-N C'3H7NO3 SERINE HMDB00187 4.41 2 105.0425931 106.0504181 QEP1_2021_0823_RJ_06_1ab55prm.raw 2954 1 [M+H] MTCFGRXMJLQNBG-REOHCLBHSA-N C'3H7NO3 SERINE HMDB00187 4.41 2 105.0425931 106.0504181 C'3NOH4 70.0292874 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 2954 1 [M+H] MTCFGRXMJLQNBG-REOHCLBHSA-N C'3H7NO3 SERINE HMDB00187 4.41 2 105.0425931 106.0504181 C'2NOH6 60.0449366 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3821 1 [M+H] ZBCBWPMODOFKDW-UHFFFAOYSA-N C'4H11NO2 DIETHANOLAMINE HMDB04437 5.7 2 105.0789786 106.0868036 QEP1_2021_0823_RJ_16_1ef55prm.raw 3821 1 [M+H] ZBCBWPMODOFKDW-UHFFFAOYSA-N C'4H11NO2 DIETHANOLAMINE HMDB04437 5.7 2 105.0789786 106.0868036 QEP1_2021_0823_RJ_16_1ef55prm.raw 3821 1 [M+H] ZBCBWPMODOFKDW-UHFFFAOYSA-N C'4H11NO2 DIETHANOLAMINE HMDB04437 5.7 2 105.0789786 106.0868036 C'4H8N 70.0656708 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 7536 1 [M+H] WRHZVMBBRYBTKZ-UHFFFAOYSA-N C'5H5NO2 PYRROLE-2-CARBOXYLATE HMDB04230 11.2 0.5 111.0320284 112.0398534 C'5H4NO 94.0292874 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 7536 1 [M+H] WRHZVMBBRYBTKZ-UHFFFAOYSA-N C'5H5NO2 PYRROLE-2-CARBOXYLATE HMDB04230 11.2 0.5 111.0320284 112.0398534 C'4H6N 68.0500216 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 7536 1 [M+H] WRHZVMBBRYBTKZ-UHFFFAOYSA-N C'5H5NO2 PYRROLE-2-CARBOXYLATE HMDB04230 11.2 0.5 111.0320284 112.0398534 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4606 1 [M+H] OPTASPLRGRRNAP-UHFFFAOYSA-N C'4H5N3O CYTOSINE HMDB00630 6.7 1 111.0432618 112.0510868 C'3N2H5 69.045271 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4606 1 [M+H] OPTASPLRGRRNAP-UHFFFAOYSA-N C'4H5N3O CYTOSINE HMDB00630 6.7 1 111.0432618 112.0510868 C'3H2NO 68.0136382 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4606 1 [M+H] OPTASPLRGRRNAP-UHFFFAOYSA-N C'4H5N3O CYTOSINE HMDB00630 6.7 1 111.0432618 112.0510868 C'3H3N2 67.0296218 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7082 1 [M+H] NTYJJOPFIAHURM-UHFFFAOYSA-N C'5H9N3 HISTAMINE HMDB00870 10.4 0.5 111.0796473 112.0874723 C'5H7N2 95.0609202 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7082 1 [M+H] NTYJJOPFIAHURM-UHFFFAOYSA-N C'5H9N3 HISTAMINE HMDB00870 10.4 0.5 111.0796473 112.0874723 C'4H7N2 83.0609202 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7082 1 [M+H] NTYJJOPFIAHURM-UHFFFAOYSA-N C'5H9N3 HISTAMINE HMDB00870 10.4 0.5 111.0796473 112.0874723 C'4H6N 68.0500216 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 6075 1 [M+H-H2O] LVHBHZANLOWSRM-UHFFFAOYSA-N C'5H6O4 ITACONATE HMDB02092 9.13 1 130.0266087 113.0238695 QEP1_2021_0823_RJ_101_6ab55prm.raw 6075 1 [M+H-H2O] LVHBHZANLOWSRM-UHFFFAOYSA-N C'5H6O4 ITACONATE HMDB02092 9.13 1 130.0266087 113.0238695 C'4H5O2 85.028953 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 6075 1 [M+H-H2O] LVHBHZANLOWSRM-UHFFFAOYSA-N C'5H6O4 ITACONATE HMDB02092 9.13 1 130.0266087 113.0238695 C'3H5O 57.034038 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3339 1 [M+H] ISAKRJDGNUQOIC-UHFFFAOYSA-N C'4H4N2O2 URACIL HMDB00300 4.8 2 112.0272774 113.0351024 QEP1_2021_0823_RJ_16_1ef55prm.raw 3339 1 [M+H] ISAKRJDGNUQOIC-UHFFFAOYSA-N C'4H4N2O2 URACIL HMDB00300 4.8 2 112.0272774 113.0351024 C'4H2NO2 96.0085532 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3339 1 [M+H] ISAKRJDGNUQOIC-UHFFFAOYSA-N C'4H4N2O2 URACIL HMDB00300 4.8 2 112.0272774 113.0351024 C'3NOH4 70.0292874 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 13336 1 [M+H] WSWCOQWTEOXDQX-MQQKCMAXSA-N C'6H8O2 SORBATE HMDB29581 19.5 0.5 112.0524295 113.0602545 C'6H7O 95.0496872 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 13336 1 [M+H] WSWCOQWTEOXDQX-MQQKCMAXSA-N C'6H8O2 SORBATE HMDB29581 19.5 0.5 112.0524295 113.0602545 C'5H7 67.0547722 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 13336 1 [M+H] WSWCOQWTEOXDQX-MQQKCMAXSA-N C'6H8O2 SORBATE HMDB29581 19.5 0.5 112.0524295 113.0602545 C'5H5 65.039123 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4493 1 [M+H] DDRJAANPRJIHGJ-UHFFFAOYSA-N C'4H7N3O CREATININE HMDB00562 6.5 1 113.0589119 114.0667369 QEP1_2021_0823_RJ_11_1cd55prm.raw 4493 1 [M+H] DDRJAANPRJIHGJ-UHFFFAOYSA-N C'4H7N3O CREATININE HMDB00562 6.5 1 113.0589119 114.0667369 C'3H8N3 86.0718188 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4493 1 [M+H] DDRJAANPRJIHGJ-UHFFFAOYSA-N C'4H7N3O CREATININE HMDB00562 6.5 1 113.0589119 114.0667369 C'3H6NO 72.0449366 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 5591 1 [M+H-H2O] JFCQEDHGNNZCLN-UHFFFAOYSA-N C'5H8O4 GLUTARATE HMDB00661 8.24 1.5 132.0422587 115.0395195 QEP1_2021_0823_RJ_91_5ef55prm.raw 5591 1 [M+H-H2O] JFCQEDHGNNZCLN-UHFFFAOYSA-N C'5H8O4 GLUTARATE HMDB00661 8.24 1.5 132.0422587 115.0395195 QEP1_2021_0823_RJ_91_5ef55prm.raw 5591 1 [M+H-H2O] JFCQEDHGNNZCLN-UHFFFAOYSA-N C'5H8O4 GLUTARATE HMDB00661 8.24 1.5 132.0422587 115.0395195 C'4H7O2 87.0446022 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3271 1 [M+H] OIVLITBTBDPEFK-UHFFFAOYSA-N C'4H6N2O2 DIHYDROURACIL HMDB00076 4.6 2 114.0429274 115.0507524 QEP1_2021_0823_RJ_16_1ef55prm.raw 3271 1 [M+H] OIVLITBTBDPEFK-UHFFFAOYSA-N C'4H6N2O2 DIHYDROURACIL HMDB00076 4.6 2 114.0429274 115.0507524 C'2N2OH5 73.040186 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3271 1 [M+H] OIVLITBTBDPEFK-UHFFFAOYSA-N C'4H6N2O2 DIHYDROURACIL HMDB00076 4.6 2 114.0429274 115.0507524 C'3H3O 55.0183888 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3778 1 [M+H] ONIBWKKTOPOVIA-BYPYZUCNSA-N C'5H9NO2 PROLINE HMDB00162 5.72 0.5 115.0633285 116.0711535 QEP1_2021_0823_RJ_16_1ef55prm.raw 3778 1 [M+H] ONIBWKKTOPOVIA-BYPYZUCNSA-N C'5H9NO2 PROLINE HMDB00162 5.72 0.5 115.0633285 116.0711535 QEP1_2021_0823_RJ_16_1ef55prm.raw 3778 1 [M+H] ONIBWKKTOPOVIA-BYPYZUCNSA-N C'5H9NO2 PROLINE HMDB00162 5.72 0.5 115.0633285 116.0711535 C'4NH8 70.0656708 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 5013 1 [M+H] KIWQWJKWBHZMDT-UHFFFAOYSA-N C'4H7NOS HOMOCYSTEINE THIOLACTONE HMDB02287 7.3 1 117.0248345 118.0326595 C'3H8NS 90.0377428 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 5013 1 [M+H] KIWQWJKWBHZMDT-UHFFFAOYSA-N C'4H7NOS HOMOCYSTEINE THIOLACTONE HMDB02287 7.3 1 117.0248345 118.0326595 C'3H5S 73.011195 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 5013 1 [M+H] KIWQWJKWBHZMDT-UHFFFAOYSA-N C'4H7NOS HOMOCYSTEINE THIOLACTONE HMDB02287 7.3 1 117.0248345 118.0326595 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 2960 1 [M+H] OKJIRPAQVSHGFK-UHFFFAOYSA-N C'4H7NO3 N-ACETYLGLYCINE HMDB00532 4.5 2 117.0425931 118.0504181 QEP1_2021_0823_RJ_36_2gh55prm.raw 2960 1 [M+H] OKJIRPAQVSHGFK-UHFFFAOYSA-N C'4H7NO3 N-ACETYLGLYCINE HMDB00532 4.5 2 117.0425931 118.0504181 QEP1_2021_0823_RJ_36_2gh55prm.raw 2960 1 [M+H] OKJIRPAQVSHGFK-UHFFFAOYSA-N C'4H7NO3 N-ACETYLGLYCINE HMDB00532 4.5 2 117.0425931 118.0504181 C'2H6NO2 76.0398516 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3944 1 [M+H] BPMFZUMJYQTVII-UHFFFAOYSA-N C'3H7N3O2 GUANIDINOACETATE HMDB00128 5.7 0.5 117.0538265 118.0616515 C'2H6NO2 76.0398516 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3944 1 [M+H] BPMFZUMJYQTVII-UHFFFAOYSA-N C'3H7N3O2 GUANIDINOACETATE HMDB00128 5.7 0.5 117.0538265 118.0616515 C'2H5N2O 73.040186 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3944 1 [M+H] BPMFZUMJYQTVII-UHFFFAOYSA-N C'3H7N3O2 GUANIDINOACETATE HMDB00128 5.7 0.5 117.0538265 118.0616515 C'2H6N3 72.0561696 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 5476 1 [M+H] JJMDCOVWQOJGCB-UHFFFAOYSA-N C'5H11NO2 5-AMINOPENTANOATE HMDB03355 8 0.5 117.0789786 118.0868036 C'5H7O 83.0496872 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 5476 1 [M+H] JJMDCOVWQOJGCB-UHFFFAOYSA-N C'5H11NO2 5-AMINOPENTANOATE HMDB03355 8 0.5 117.0789786 118.0868036 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 5476 1 [M+H] JJMDCOVWQOJGCB-UHFFFAOYSA-N C'5H11NO2 5-AMINOPENTANOATE HMDB03355 8 0.5 117.0789786 118.0868036 C'4H7 55.0547722 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3137 1 [M+H] KWIUHFFTVRNATP-UHFFFAOYSA-N C'5H11NO2 BETAINE HMDB00043 4.6 2 117.0789786 118.0868036 QEP1_2021_0823_RJ_21_2ab55prm.raw 3137 1 [M+H] KWIUHFFTVRNATP-UHFFFAOYSA-N C'5H11NO2 BETAINE HMDB00043 4.6 2 117.0789786 118.0868036 C'3H9N 59.0734954 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3137 1 [M+H] KWIUHFFTVRNATP-UHFFFAOYSA-N C'5H11NO2 BETAINE HMDB00043 4.6 2 117.0789786 118.0868036 C'3H8N 58.0656708 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 5014 1 [M+H] SNDPXSYFESPGGJ-SCSAIBSYSA-N C'5H11NO2 NORVALINE HMDB13716 7.4 1 117.0789786 118.0868036 QEP1_2021_0823_RJ_31_2ef55prm.raw 5014 1 [M+H] SNDPXSYFESPGGJ-SCSAIBSYSA-N C'5H11NO2 NORVALINE HMDB13716 7.4 1 117.0789786 118.0868036 C'4H10N 72.08132 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 5014 1 [M+H] SNDPXSYFESPGGJ-SCSAIBSYSA-N C'5H11NO2 NORVALINE HMDB13716 7.4 1 117.0789786 118.0868036 C'4H7 55.0547722 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4884 1 [M+H] KZSNJWFQEVHDMF-BYPYZUCNSA-N C'5H11NO2 VALINE HMDB00883 7.05 0.5 117.0789786 118.0868036 QEP1_2021_0823_RJ_26_2cd55prm.raw 4884 1 [M+H] KZSNJWFQEVHDMF-BYPYZUCNSA-N C'5H11NO2 VALINE HMDB00883 7.05 0.5 117.0789786 118.0868036 C'4H10N 72.08132 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4884 1 [M+H] KZSNJWFQEVHDMF-BYPYZUCNSA-N C'5H11NO2 VALINE HMDB00883 7.05 0.5 117.0789786 118.0868036 C'4H7 55.0547722 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 6611 1 [M+H] BTCSSZJGUNDROE-UHFFFAOYSA-N C'5H11NO2 METHYL 4-AMINOBUTYRATE HMDB00112 9.8 0.5 117.07898 118.086805 C'4H8NO 86.0605858 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 6611 1 [M+H] BTCSSZJGUNDROE-UHFFFAOYSA-N C'5H11NO2 METHYL 4-AMINOBUTYRATE HMDB00112 9.8 0.5 117.07898 118.086805 C'4H5O 69.034038 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 6611 1 [M+H] BTCSSZJGUNDROE-UHFFFAOYSA-N C'5H11NO2 METHYL 4-AMINOBUTYRATE HMDB00112 9.8 0.5 117.07898 118.086805 C'3H7O 59.0496872 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3257 1 [M+H] AYFVYJQAPQTCCC-GBXIJSLDSA-N C'4H9NO3 "THREONINE,HOMOSERINE,ALLOTHREONINE" HMDB00167 4.8 2 119.0582432 120.0660682 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3257 1 [M+H] AYFVYJQAPQTCCC-GBXIJSLDSA-N C'4H9NO3 "THREONINE,HOMOSERINE,ALLOTHREONINE" HMDB00167 4.8 2 119.0582432 120.0660682 C'3NOH8 74.0605858 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3257 1 [M+H] AYFVYJQAPQTCCC-GBXIJSLDSA-N C'4H9NO3 "THREONINE,HOMOSERINE,ALLOTHREONINE" HMDB00167 4.8 2 119.0582432 120.0660682 C'3NH6 56.0500216 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9914 1 [M+H-H2O] ULSIYEODSMZIPX-UHFFFAOYSA-N C'8H11NO PHENYLETHANOLAMINE HMDB01065 14.4 0.5 137.084064 120.0813248 C'8H7 103.0547722 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9914 1 [M+H-H2O] ULSIYEODSMZIPX-UHFFFAOYSA-N C'8H11NO PHENYLETHANOLAMINE HMDB01065 14.4 0.5 137.084064 120.0813248 C'7H9 93.0704214 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9914 1 [M+H-H2O] ULSIYEODSMZIPX-UHFFFAOYSA-N C'8H11NO PHENYLETHANOLAMINE HMDB01065 14.4 0.5 137.084064 120.0813248 C'7H7 91.0547722 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9914 1 [M+H] ULSIYEODSMZIPX-UHFFFAOYSA-N C'8H11NO PHENYLETHANOLAMINE-WATER HMDB01065 18.1 0.5 119.0734998 120.0813248 C'8H7 103.0547722 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9914 1 [M+H] ULSIYEODSMZIPX-UHFFFAOYSA-N C'8H11NO PHENYLETHANOLAMINE-WATER HMDB01065 18.1 0.5 119.0734998 120.0813248 C'7H9 93.0704214 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9914 1 [M+H] ULSIYEODSMZIPX-UHFFFAOYSA-N C'8H11NO PHENYLETHANOLAMINE-WATER HMDB01065 18.1 0.5 119.0734998 120.0813248 C'7H7 91.0547722 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10971 1 [M+H-H2O] IJFXRHURBJZNAO-UHFFFAOYSA-N C'7H6O3 3-HYDROXYBENZOATE HMDB02466 16 1 138.0316941 121.0289549 QEP1_2021_0823_RJ_106_6cd55prm.raw 10971 1 [M+H-H2O] IJFXRHURBJZNAO-UHFFFAOYSA-N C'7H6O3 3-HYDROXYBENZOATE HMDB02466 16 1 138.0316941 121.0289549 C'6H5O 93.034038 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10971 1 [M+H-H2O] IJFXRHURBJZNAO-UHFFFAOYSA-N C'7H6O3 3-HYDROXYBENZOATE HMDB02466 16 1 138.0316941 121.0289549 C'5H5 65.039123 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 5358 1 [M+H] KDCGOANMDULRCW-UHFFFAOYSA-N C'5H4N4 PURINE HMDB01366 7.8 1 120.0435961 121.0514211 QEP1_2021_0823_RJ_06_1ab55prm.raw 5358 1 [M+H] KDCGOANMDULRCW-UHFFFAOYSA-N C'5H4N4 PURINE HMDB01366 7.8 1 120.0435961 121.0514211 C'4N3H4 94.0405204 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 5358 1 [M+H] KDCGOANMDULRCW-UHFFFAOYSA-N C'5H4N4 PURINE HMDB01366 7.8 1 120.0435961 121.0514211 C'3N2H3 67.0296218 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 8777 1 [M+H-NH3] DZGWFCGJZKJUFP-UHFFFAOYSA-N C'8H11NO TYRAMINE HMDB00306 12.8 0.5 137.084064 121.065339 C'8H7 103.0547722 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 8777 1 [M+H-NH3] DZGWFCGJZKJUFP-UHFFFAOYSA-N C'8H11NO TYRAMINE HMDB00306 12.8 0.5 137.084064 121.065339 C'7H9 93.0704214 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 8777 1 [M+H-NH3] DZGWFCGJZKJUFP-UHFFFAOYSA-N C'8H11NO TYRAMINE HMDB00306 12.8 0.5 137.084064 121.065339 C'7H7 91.0547722 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 11950 1 [M+H] BHHGXPLMPWCGHP-UHFFFAOYSA-N C'8H11N PHENETHYLAMINE HMDB12275 17.5 0.5 121.0891494 122.0969744 C'8H9 105.0704214 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 11950 1 [M+H] BHHGXPLMPWCGHP-UHFFFAOYSA-N C'8H11N PHENETHYLAMINE HMDB12275 17.5 0.5 121.0891494 122.0969744 C'8H7 103.0547722 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 11950 1 [M+H] BHHGXPLMPWCGHP-UHFFFAOYSA-N C'8H11N PHENETHYLAMINE HMDB12275 17.5 0.5 121.0891494 122.0969744 C'6H7 79.0547722 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 6549 1 [M+H] RGHHSNMVTDWUBI-UHFFFAOYSA-N C'7H6O2 4-HYDROXYBENZALDEHYDE HMDB11718 9.5 1 122.0367794 123.0446044 C'6H7O 95.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 6549 1 [M+H] RGHHSNMVTDWUBI-UHFFFAOYSA-N C'7H6O2 4-HYDROXYBENZALDEHYDE HMDB11718 9.5 1 122.0367794 123.0446044 C'6H5 77.039123 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 6549 1 [M+H] RGHHSNMVTDWUBI-UHFFFAOYSA-N C'7H6O2 4-HYDROXYBENZALDEHYDE HMDB11718 9.5 1 122.0367794 123.0446044 C'4H3 51.0234738 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 10179 1 [M+H] WPYMKLBDIGXBTP-UHFFFAOYSA-N C'7H6O2 BENZOATE HMDB01870 15 0.5 122.0367794 123.0446044 C'6H7O 95.0496872 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 10179 1 [M+H] WPYMKLBDIGXBTP-UHFFFAOYSA-N C'7H6O2 BENZOATE HMDB01870 15 0.5 122.0367794 123.0446044 C'6H5 77.039123 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 10179 1 [M+H] WPYMKLBDIGXBTP-UHFFFAOYSA-N C'7H6O2 BENZOATE HMDB01870 15 0.5 122.0367794 123.0446044 C'5H7 67.0547722 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 5159 1 [M+H] DFPAKSUCGFBDDF-UHFFFAOYSA-N C'6H6N2O NICOTINAMIDE HMDB01406 7.4 2 122.0480128 123.0558378 QEP1_2021_0823_RJ_16_1ef55prm.raw 5159 1 [M+H] DFPAKSUCGFBDDF-UHFFFAOYSA-N C'6H6N2O NICOTINAMIDE HMDB01406 7.4 2 122.0480128 123.0558378 C'5NOH6 96.0449366 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 5159 1 [M+H] DFPAKSUCGFBDDF-UHFFFAOYSA-N C'6H6N2O NICOTINAMIDE HMDB01406 7.4 2 122.0480128 123.0558378 C'5NH6 80.0500216 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4034 1 [M+H] PVNIIMVLHYAWGP-UHFFFAOYSA-N C'6H5NO2 NICOTINATE HMDB01488 5.9 0.5 123.0320284 124.0398534 C'5H6NO 96.0449366 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4034 1 [M+H] PVNIIMVLHYAWGP-UHFFFAOYSA-N C'6H5NO2 NICOTINATE HMDB01488 5.9 0.5 123.0320284 124.0398534 C'5NH6 80.0500216 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 4034 1 [M+H] PVNIIMVLHYAWGP-UHFFFAOYSA-N C'6H5NO2 NICOTINATE HMDB01488 5.9 0.5 123.0320284 124.0398534 C'5NH4 78.0343724 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 2735 1 [M+H] XOAAWQZATWQOTB-UHFFFAOYSA-N C'2H7NO3S TAURINE HMDB00251 3.91 1 125.0146638 126.0224888 QEP1_2021_0823_RJ_06_1ab55prm.raw 2735 1 [M+H] XOAAWQZATWQOTB-UHFFFAOYSA-N C'2H7NO3S TAURINE HMDB00251 3.91 1 125.0146638 126.0224888 C'2H6NO2S 108.0119236 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 2735 1 [M+H] XOAAWQZATWQOTB-UHFFFAOYSA-N C'2H7NO3S TAURINE HMDB00251 3.91 1 125.0146638 126.0224888 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3423 1 [M+H] QQVDJLLNRSOCEL-UHFFFAOYSA-N C'2H8NO3P (2-AMINOETHYL)PHOSPHONATE HMDB11747 5 2 125.0241796 126.0320046 C'2H6O3P 109.0054556 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3423 1 [M+H] QQVDJLLNRSOCEL-UHFFFAOYSA-N C'2H8NO3P (2-AMINOETHYL)PHOSPHONATE HMDB11747 5 2 125.0241796 126.0320046 H4O4P 98.9847214 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3423 1 [M+H] QQVDJLLNRSOCEL-UHFFFAOYSA-N C'2H8NO3P (2-AMINOETHYL)PHOSPHONATE HMDB11747 5 2 125.0241796 126.0320046 C'H6O3P 97.0054556 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 5868 1 [M+H] LRSASMSXMSNRBT-UHFFFAOYSA-N C'5H7N3O 5-METHYLCYTOSINE HMDB02894 8.7 0.5 125.0589119 126.0667369 C'5H5N2O 109.040186 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 5868 1 [M+H] LRSASMSXMSNRBT-UHFFFAOYSA-N C'5H7N3O 5-METHYLCYTOSINE HMDB02894 8.7 0.5 125.0589119 126.0667369 C'4H7N2 83.0609202 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 5868 1 [M+H] LRSASMSXMSNRBT-UHFFFAOYSA-N C'5H7N3O 5-METHYLCYTOSINE HMDB02894 8.7 0.5 125.0589119 126.0667369 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 7012 1 [M+H] CPAGZVLINCPJEH-UHFFFAOYSA-N C'6H11N3 3-METHYLHISTAMINE HMDB01861 10.4 0.5 125.0952974 126.1031224 C'6H9N2 109.0765694 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 7012 1 [M+H] CPAGZVLINCPJEH-UHFFFAOYSA-N C'6H11N3 3-METHYLHISTAMINE HMDB01861 10.4 0.5 125.0952974 126.1031224 C'5H9N2 97.0765694 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 7012 1 [M+H] CPAGZVLINCPJEH-UHFFFAOYSA-N C'6H11N3 3-METHYLHISTAMINE HMDB01861 10.4 0.5 125.0952974 126.1031224 C'5H8N2 96.0687448 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 4453 1 [M+H] PRJKNHOMHKJCEJ-UHFFFAOYSA-N C'5H6N2O2 4-IMIDAZOLEACETATE HMDB02024 6.6 0.5 126.0429274 127.0507524 C'4H7N2O 99.0558352 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 4453 1 [M+H] PRJKNHOMHKJCEJ-UHFFFAOYSA-N C'5H6N2O2 4-IMIDAZOLEACETATE HMDB02024 6.6 0.5 126.0429274 127.0507524 C'4H5N2 81.045271 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 4453 1 [M+H] PRJKNHOMHKJCEJ-UHFFFAOYSA-N C'5H6N2O2 4-IMIDAZOLEACETATE HMDB02024 6.6 0.5 126.0429274 127.0507524 C'3H4N 54.0343724 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 5068 1 [M+H] RWQNBRDOKXIBIV-UHFFFAOYSA-N C'5H6N2O2 THYMINE HMDB00262 7.2 2 126.0429274 127.0507524 C'5H4NO2 110.0242024 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 5068 1 [M+H] RWQNBRDOKXIBIV-UHFFFAOYSA-N C'5H6N2O2 THYMINE HMDB00262 7.2 2 126.0429274 127.0507524 C'4NOH6 84.0449366 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 5068 1 [M+H] RWQNBRDOKXIBIV-UHFFFAOYSA-N C'5H6N2O2 THYMINE HMDB00262 7.2 2 126.0429274 127.0507524 C'3NH6 56.0500216 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7791 1 [M+H-H2O] AQYCMVICBNBXNA-UHFFFAOYSA-N C'6H10O4 2-METHYLGLUTARATE HMDB00422 11.2 0.5 146.0579088 129.0551696 C'5H9O2 101.0602514 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7791 1 [M+H-H2O] AQYCMVICBNBXNA-UHFFFAOYSA-N C'6H10O4 2-METHYLGLUTARATE HMDB00422 11.2 0.5 146.0579088 129.0551696 C'3H7O 59.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7791 1 [M+H-H2O] AQYCMVICBNBXNA-UHFFFAOYSA-N C'6H10O4 2-METHYLGLUTARATE HMDB00422 11.2 0.5 146.0579088 129.0551696 C'4H7 55.0547722 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 7530 1 [M+H-H2O] XJMMNTGIMDZPMU-UHFFFAOYSA-N C'6H10O4 METHYLGLUTARATE HMDB00752 11 0.5 146.0579088 129.0551696 C'4H5O 69.034038 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 7530 1 [M+H-H2O] XJMMNTGIMDZPMU-UHFFFAOYSA-N C'6H10O4 METHYLGLUTARATE HMDB00752 11 0.5 146.0579088 129.0551696 C'3H7O 59.0496872 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 7530 1 [M+H-H2O] XJMMNTGIMDZPMU-UHFFFAOYSA-N C'6H10O4 METHYLGLUTARATE HMDB00752 11 0.5 146.0579088 129.0551696 C'4H7 55.0547722 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 3591 1 [M+H] ODHCTXKNWHHXJC-VKHMYHEASA-N C'5H7NO3 PYROGLUTAMATE HMDB00267 5.4 1 129.0425931 130.0504181 QEP1_2021_0823_RJ_41_3ab55prm.raw 3591 1 [M+H] ODHCTXKNWHHXJC-VKHMYHEASA-N C'5H7NO3 PYROGLUTAMATE HMDB00267 5.4 1 129.0425931 130.0504181 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 3591 1 [M+H] ODHCTXKNWHHXJC-VKHMYHEASA-N C'5H7NO3 PYROGLUTAMATE HMDB00267 5.4 1 129.0425931 130.0504181 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 4491 1 [M+H] HXEACLLIILLPRG-YFKPBYRVSA-N C'6H11NO2 PIPECOLATE HMDB00716 6.8 0.5 129.0789786 130.0868036 QEP1_2021_0823_RJ_36_2gh55prm.raw 4491 1 [M+H] HXEACLLIILLPRG-YFKPBYRVSA-N C'6H11NO2 PIPECOLATE HMDB00716 6.8 0.5 129.0789786 130.0868036 C'5H10N 84.08132 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 4491 1 [M+H] HXEACLLIILLPRG-YFKPBYRVSA-N C'6H11NO2 PIPECOLATE HMDB00716 6.8 0.5 129.0789786 130.0868036 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 4468 1 [M+H] BKAJNAXTPSGJCU-UHFFFAOYSA-N C'6H10O3 KETOLEUCINE HMDB00695 6.9 2 130.0629942 131.0708192 C'4H9O2 89.0602514 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 4468 1 [M+H] BKAJNAXTPSGJCU-UHFFFAOYSA-N C'6H10O3 KETOLEUCINE HMDB00695 6.9 2 130.0629942 131.0708192 C'4H7O 71.0496872 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 4468 1 [M+H] BKAJNAXTPSGJCU-UHFFFAOYSA-N C'6H10O3 KETOLEUCINE HMDB00695 6.9 2 130.0629942 131.0708192 C'5H9 69.0704214 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5683 1 [M+H] KLZGKIDSEJWEDW-UHFFFAOYSA-N C'6H14N2O N-ACETYLPUTRESCINE HMDB02064 8.3 1 130.1106131 131.1184381 C'4H10N 72.08132 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5683 1 [M+H] KLZGKIDSEJWEDW-UHFFFAOYSA-N C'6H14N2O N-ACETYLPUTRESCINE HMDB02064 8.3 1 130.1106131 131.1184381 C'3H6NO 72.0449366 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5683 1 [M+H] KLZGKIDSEJWEDW-UHFFFAOYSA-N C'6H14N2O N-ACETYLPUTRESCINE HMDB02064 8.3 1 130.1106131 131.1184381 C'2H6NO 60.0449366 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 7858 1 [M+H] QYPPJABKJHAVHS-UHFFFAOYSA-N C'5H14N4 AGMATINE SULFATE HMDB0001432 11.8 0.5 130.121846 131.129671 C'5H9N2 97.0765694 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 7858 1 [M+H] QYPPJABKJHAVHS-UHFFFAOYSA-N C'5H14N4 AGMATINE SULFATE HMDB0001432 11.8 0.5 130.121846 131.129671 C'4H10N 72.08132 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 7858 1 [M+H] QYPPJABKJHAVHS-UHFFFAOYSA-N C'5H14N4 AGMATINE SULFATE HMDB0001432 11.8 0.5 130.121846 131.129671 C'H6N3 60.0561696 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4118 1 [M+H] ZGXJTSGNIOSYLO-UHFFFAOYSA-N C'5H9NO3 5-AMINOLEVULINATE HMDB01149 6.1 1 131.0582432 132.0660682 C'4H8NO 86.0605858 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4118 1 [M+H] ZGXJTSGNIOSYLO-UHFFFAOYSA-N C'5H9NO3 5-AMINOLEVULINATE HMDB01149 6.1 1 131.0582432 132.0660682 C'4H6N 68.0500216 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4118 1 [M+H] ZGXJTSGNIOSYLO-UHFFFAOYSA-N C'5H9NO3 5-AMINOLEVULINATE HMDB01149 6.1 1 131.0582432 132.0660682 C'3H3O 55.0183888 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3891 1 [M+H] KTHDTJVBEPMMGL-VKHMYHEASA-N C'5H9NO3 N-ACETYLALANINE HMDB00766 5.8 1.5 131.0582432 132.0660682 QEP1_2021_0823_RJ_56_3gh55prm.raw 3891 1 [M+H] KTHDTJVBEPMMGL-VKHMYHEASA-N C'5H9NO3 N-ACETYLALANINE HMDB00766 5.8 1.5 131.0582432 132.0660682 C'3H8NO2 90.0555008 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3891 1 [M+H] KTHDTJVBEPMMGL-VKHMYHEASA-N C'5H9NO3 N-ACETYLALANINE HMDB00766 5.8 1.5 131.0582432 132.0660682 C'4H8NO 86.0605858 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 2884 1 [M+H] PMMYEEVYMWASQN-DMTCNVIQSA-N C'5H9NO3 "TRANS-4-HYDROXY-L-PROLINE,CIS-4-HYDROXY-D-PROLINE" HMDB06055 4.4 2 131.0582432 132.0660682 C'4H8NO 86.0605858 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 2884 1 [M+H] PMMYEEVYMWASQN-DMTCNVIQSA-N C'5H9NO3 "TRANS-4-HYDROXY-L-PROLINE,CIS-4-HYDROXY-D-PROLINE" HMDB06055 4.4 2 131.0582432 132.0660682 C'4H6N 68.0500216 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 2884 1 [M+H] PMMYEEVYMWASQN-DMTCNVIQSA-N C'5H9NO3 "TRANS-4-HYDROXY-L-PROLINE,CIS-4-HYDROXY-D-PROLINE" HMDB06055 4.4 2 131.0582432 132.0660682 C'3H8N 58.0656708 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4103 1 [M+H] CVSVTCORWBXHQV-UHFFFAOYSA-N C'4H9N3O2 CREATINE HMDB00064 5.9 0.5 131.0694765 132.0773015 QEP1_2021_0823_RJ_16_1ef55prm.raw 4103 1 [M+H] CVSVTCORWBXHQV-UHFFFAOYSA-N C'4H9N3O2 CREATINE HMDB00064 5.9 0.5 131.0694765 132.0773015 C'3H8NO2 90.0555008 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4103 1 [M+H] CVSVTCORWBXHQV-UHFFFAOYSA-N C'4H9N3O2 CREATINE HMDB00064 5.9 0.5 131.0694765 132.0773015 C'3H7N2O 87.0558352 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 7186 1 [M+H] AGPKZVBTJJNPAG-WHFBIAKZSA-N C'6H13NO2 ISOLEUCINE HMDB00172 11.02 0.5 131.0946287 132.1024537 QEP1_2021_0823_RJ_06_1ab55prm.raw 7186 1 [M+H] AGPKZVBTJJNPAG-WHFBIAKZSA-N C'6H13NO2 ISOLEUCINE HMDB00172 11.02 0.5 131.0946287 132.1024537 C'5NH12 86.0969692 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 7186 1 [M+H] AGPKZVBTJJNPAG-WHFBIAKZSA-N C'6H13NO2 ISOLEUCINE HMDB00172 11.02 0.5 131.0946287 132.1024537 C'5H9 69.0704214 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 7643 1 [M+H] ROHFNLRQFUQHCH-UHFFFAOYSA-N C'6H13NO2 LEUCINE HMDB00687 10.9 0.5 131.0946287 132.1024537 QEP1_2021_0823_RJ_21_2ab55prm.raw 7643 1 [M+H] ROHFNLRQFUQHCH-UHFFFAOYSA-N C'6H13NO2 LEUCINE HMDB00687 10.9 0.5 131.0946287 132.1024537 C'5H12N 86.0969692 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 7643 1 [M+H] ROHFNLRQFUQHCH-UHFFFAOYSA-N C'6H13NO2 LEUCINE HMDB00687 10.9 0.5 131.0946287 132.1024537 C'5H9 69.0704214 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7684 1 [M+H] LRQKBLKVPFOOQJ-YFKPBYRVSA-N C'6H13NO2 NORLEUCINE HMDB01645 11.3 0.5 131.0946287 132.1024537 QEP1_2021_0823_RJ_61_4ab55prm.raw 7684 1 [M+H] LRQKBLKVPFOOQJ-YFKPBYRVSA-N C'6H13NO2 NORLEUCINE HMDB01645 11.3 0.5 131.0946287 132.1024537 C'5H12N 86.0969692 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7684 1 [M+H] LRQKBLKVPFOOQJ-YFKPBYRVSA-N C'6H13NO2 NORLEUCINE HMDB01645 11.3 0.5 131.0946287 132.1024537 C'5H9 69.0704214 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 11031 1 [M+H] OTBHHUPVCYLGQO-UHFFFAOYSA-N C'6H17N3 NORSPERMIDINE HMDB11634 16 1 131.1422476 132.1500726 C'6H12N 98.096969 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 11031 1 [M+H] OTBHHUPVCYLGQO-UHFFFAOYSA-N C'6H17N3 NORSPERMIDINE HMDB11634 16 1 131.1422476 132.1500726 C'4H8N 70.0656708 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 11031 1 [M+H] OTBHHUPVCYLGQO-UHFFFAOYSA-N C'6H17N3 NORSPERMIDINE HMDB11634 16 1 131.1422476 132.1500726 C'3H8N 58.0656708 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 2958 1 [M+H] DCXYFEDJOCDNAF-REOHCLBHSA-N C'4H8N2O3 ASPARAGINE HMDB00168 4.3 2 132.0534921 133.0613171 C'3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 2958 1 [M+H] DCXYFEDJOCDNAF-REOHCLBHSA-N C'4H8N2O3 ASPARAGINE HMDB00168 4.3 2 132.0534921 133.0613171 C'3H7N2O 87.0558352 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 2958 1 [M+H] DCXYFEDJOCDNAF-REOHCLBHSA-N C'4H8N2O3 ASPARAGINE HMDB00168 4.3 2 132.0534921 133.0613171 C'2H4NO2 74.0242024 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3165 1 [M+H] JSJWCHRYRHKBBW-UHFFFAOYSA-N C'4H8N2O3 UREIDOPROPIONATE HMDB00026 4.7 2 132.0534921 133.0613171 C'4H7N2O2 115.0507502 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3165 1 [M+H] JSJWCHRYRHKBBW-UHFFFAOYSA-N C'4H8N2O3 UREIDOPROPIONATE HMDB00026 4.7 2 132.0534921 133.0613171 C'3H8NO2 90.0555008 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3165 1 [M+H] JSJWCHRYRHKBBW-UHFFFAOYSA-N C'4H8N2O3 UREIDOPROPIONATE HMDB00026 4.7 2 132.0534921 133.0613171 C'2H5N2O 73.040186 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3909 1 [M+H] AHLPHDHHMVZTML-SCSAIBSYSA-N C'5H12N2O2 "D-ORNITHINE,L-ORNITHINE" HMDB03374 5.8 0.5 132.0898776 133.0977026 QEP1_2021_0823_RJ_31_2ef55prm.raw 3909 1 [M+H] AHLPHDHHMVZTML-SCSAIBSYSA-N C'5H12N2O2 "D-ORNITHINE,L-ORNITHINE" HMDB03374 5.8 0.5 132.0898776 133.0977026 C'5H10NO2 116.07115 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3909 1 [M+H] AHLPHDHHMVZTML-SCSAIBSYSA-N C'5H12N2O2 "D-ORNITHINE,L-ORNITHINE" HMDB03374 5.8 0.5 132.0898776 133.0977026 C'4H8N 70.0656708 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3368 1 [M+H] CKLJMWTZIZZHCS-REOHCLBHSA-N C'4H7NO4 ASPARTATE HMDB00191 4.8 2 133.0375077 134.0453327 QEP1_2021_0823_RJ_16_1ef55prm.raw 3368 1 [M+H] CKLJMWTZIZZHCS-REOHCLBHSA-N C'4H7NO4 ASPARTATE HMDB00191 4.8 2 133.0375077 134.0453327 C'3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 3368 1 [M+H] CKLJMWTZIZZHCS-REOHCLBHSA-N C'4H7NO4 ASPARTATE HMDB00191 4.8 2 133.0375077 134.0453327 C'2H4NO2 74.0242024 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 5953 1 [M+H] FFFHZYDWPBMWHY-UHFFFAOYSA-N C'4H9NO2S HOMOCYSTEINE HMDB00742 8.5 0.5 135.0353992 136.0432242 C'3H8NS 90.0377428 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 5953 1 [M+H] FFFHZYDWPBMWHY-UHFFFAOYSA-N C'4H9NO2S HOMOCYSTEINE HMDB00742 8.5 0.5 135.0353992 136.0432242 C'3H5S 73.011195 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 5953 1 [M+H] FFFHZYDWPBMWHY-UHFFFAOYSA-N C'4H9NO2S HOMOCYSTEINE HMDB00742 8.5 0.5 135.0353992 136.0432242 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 6677 1 [M+H] GFFGJBXGBJISGV-UHFFFAOYSA-N C'5H5N5 ADENINE HMDB00034 9.6 0.5 135.0544952 136.0623202 QEP1_2021_0823_RJ_11_1cd55prm.raw 6677 1 [M+H] GFFGJBXGBJISGV-UHFFFAOYSA-N C'5H5N5 ADENINE HMDB00034 9.6 0.5 135.0544952 136.0623202 C'4H4N3 94.0405204 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 6677 1 [M+H] GFFGJBXGBJISGV-UHFFFAOYSA-N C'5H5N5 ADENINE HMDB00034 9.6 0.5 135.0544952 136.0623202 C'4H4N3 94.0405204 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 5799 1 [M+H-H2O] QHGUCRYDKWKLMG-QMMMGPOBSA-N C'8H11NO2 P-OCTOPAMINE HMDB04825 9.05 1 153.0789786 136.0762536 C'8H7O 119.0496872 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 5799 1 [M+H-H2O] QHGUCRYDKWKLMG-QMMMGPOBSA-N C'8H11NO2 P-OCTOPAMINE HMDB04825 9.05 1 153.0789786 136.0762536 C'7H7O 107.0496872 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 5799 1 [M+H-H2O] QHGUCRYDKWKLMG-QMMMGPOBSA-N C'8H11NO2 P-OCTOPAMINE HMDB04825 9.05 1 153.0789786 136.0762536 C'7H7 91.0547722 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4473 1 [M+H] FDGQSTZJBFJUBT-UHFFFAOYSA-N C'5H4N4O HYPOXANTHINE HMDB00157 6.4 2 136.0385108 137.0463358 C'4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4473 1 [M+H] FDGQSTZJBFJUBT-UHFFFAOYSA-N C'5H4N4O HYPOXANTHINE HMDB00157 6.4 2 136.0385108 137.0463358 C'4H4N3 94.0405204 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4473 1 [M+H] FDGQSTZJBFJUBT-UHFFFAOYSA-N C'5H4N4O HYPOXANTHINE HMDB00157 6.4 2 136.0385108 137.0463358 C'3N3H4 82.0405204 1 QEP1_2021_1216_RJ_34_mix3.raw 4990 1 [M+] LDHMAVIPBRSVRG-UHFFFAOYSA-O C'7H9N2O 1-METHYLNICOTINAMIDE HMDB00699 6.7 2 137.0714879 137.0714879 C'6H8NO 110.0605858 1 QEP1_2021_1216_RJ_34_mix3.raw 4990 1 [M+] LDHMAVIPBRSVRG-UHFFFAOYSA-O C'7H9N2O 1-METHYLNICOTINAMIDE HMDB00699 6.7 2 137.0714879 137.0714879 C'6H8N 94.0656708 1 QEP1_2021_1216_RJ_34_mix3.raw 4990 1 [M+] LDHMAVIPBRSVRG-UHFFFAOYSA-O C'7H9N2O 1-METHYLNICOTINAMIDE HMDB00699 6.7 2 137.0714879 137.0714879 C'6H6N 92.0500216 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7452 1 [M+H] ALYNCZNDIQEVRV-UHFFFAOYSA-N C'7H7NO2 4-AMINOBENZOATE HMDB01392 10.7 1 137.0476785 138.0555035 C'6H7O 95.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7452 1 [M+H] ALYNCZNDIQEVRV-UHFFFAOYSA-N C'7H7NO2 4-AMINOBENZOATE HMDB01392 10.7 1 137.0476785 138.0555035 C'6H8N 94.0656708 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 7452 1 [M+H] ALYNCZNDIQEVRV-UHFFFAOYSA-N C'7H7NO2 4-AMINOBENZOATE HMDB01392 10.7 1 137.0476785 138.0555035 C'5H5 65.039123 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10985 1 [M+H] SKZKKFZAGNVIMN-UHFFFAOYSA-N C'7H7NO2 "SALICYLAMIDE,ANTHRANILATE" HMDB15687 16 0.5 137.0476785 138.0555035 C'7H5O2 121.028953 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10985 1 [M+H] SKZKKFZAGNVIMN-UHFFFAOYSA-N C'7H7NO2 "SALICYLAMIDE,ANTHRANILATE" HMDB15687 16 0.5 137.0476785 138.0555035 C'6H7O 95.0496872 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10985 1 [M+H] SKZKKFZAGNVIMN-UHFFFAOYSA-N C'7H7NO2 "SALICYLAMIDE,ANTHRANILATE" HMDB15687 16 0.5 137.0476785 138.0555035 C'6H5O 93.034038 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3694 1 [M+] WWNNZCOKKKDOPX-UHFFFAOYSA-N C'7H7NO2 TRIGONELLINE HMDB00875 5.77 0.5 137.0476785 138.0555035 C'6H8NO 110.0605858 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3694 1 [M+] WWNNZCOKKKDOPX-UHFFFAOYSA-N C'7H7NO2 TRIGONELLINE HMDB00875 5.77 0.5 137.0476785 138.0555035 C'6H8N 94.0656708 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3694 1 [M+] WWNNZCOKKKDOPX-UHFFFAOYSA-N C'7H7NO2 TRIGONELLINE HMDB00875 5.77 0.5 137.0476785 138.0555035 C'6H6N 92.0500216 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 9175 1 [M+H] FJKROLUGYXJWQN-UHFFFAOYSA-N C'7H6O3 4-HYDROXYBENZOATE HMDB00500 13.75 0.5 138.0316941 139.0395191 QEP1_2021_0823_RJ_81_5ab55prm.raw 9175 1 [M+H] FJKROLUGYXJWQN-UHFFFAOYSA-N C'7H6O3 4-HYDROXYBENZOATE HMDB00500 13.75 0.5 138.0316941 139.0395191 QEP1_2021_0823_RJ_81_5ab55prm.raw 9175 1 [M+H] FJKROLUGYXJWQN-UHFFFAOYSA-N C'7H6O3 4-HYDROXYBENZOATE HMDB00500 13.75 0.5 138.0316941 139.0395191 C'6H7O 95.0496872 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 7186 1 [M+H] LOIYMIARKYCTBW-OWOJBTEDSA-N C'6H6N2O2 UROCANATE HMDB00301 10.36 0.5 138.0429274 139.0507524 C'6H5N2O 121.040186 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 7186 1 [M+H] LOIYMIARKYCTBW-OWOJBTEDSA-N C'6H6N2O2 UROCANATE HMDB00301 10.36 0.5 138.0429274 139.0507524 C'5H7N2 95.0609202 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 7186 1 [M+H] LOIYMIARKYCTBW-OWOJBTEDSA-N C'6H6N2O2 UROCANATE HMDB00301 10.36 0.5 138.0429274 139.0507524 C'5H5N2 93.045271 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5546 1 [M+H] BLHCMGRVFXRYRN-UHFFFAOYSA-N C'6H5NO3 6-HYDROXYNICOTINATE HMDB02658 8.2 0.5 139.026943 140.034768 C'5H6NO2 112.0398516 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5546 1 [M+H] BLHCMGRVFXRYRN-UHFFFAOYSA-N C'6H5NO3 6-HYDROXYNICOTINATE HMDB02658 8.2 0.5 139.026943 140.034768 C'5H6NO 96.0449366 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5546 1 [M+H] BLHCMGRVFXRYRN-UHFFFAOYSA-N C'6H5NO3 6-HYDROXYNICOTINATE HMDB02658 8.2 0.5 139.026943 140.034768 C'5H4N 78.0343724 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7147 1 [M+H] ZQISRDCJNBUVMM-YFKPBYRVSA-N C'6H11N3O HISTIDINOL HMDB03431 10.5 0.5 141.090212 142.098037 C'5H7N2 95.0609202 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7147 1 [M+H] ZQISRDCJNBUVMM-YFKPBYRVSA-N C'6H11N3O HISTIDINOL HMDB03431 10.5 0.5 141.090212 142.098037 C'4H7N2 83.0609202 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7147 1 [M+H] ZQISRDCJNBUVMM-YFKPBYRVSA-N C'6H11N3O HISTIDINOL HMDB03431 10.5 0.5 141.090212 142.098037 C'4H5N2 81.045271 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 10020 1 [M+H-H2O] WLJVNTCWHIRURA-UHFFFAOYSA-N C'7H12O4 6-CARBOXYHEXANOATE HMDB00857 14.5 0.5 160.07356 143.0708208 C'6H9O 97.0653364 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 10020 1 [M+H-H2O] WLJVNTCWHIRURA-UHFFFAOYSA-N C'7H12O4 6-CARBOXYHEXANOATE HMDB00857 14.5 0.5 160.07356 143.0708208 C'4H9O 73.0653364 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 10020 1 [M+H-H2O] WLJVNTCWHIRURA-UHFFFAOYSA-N C'7H12O4 6-CARBOXYHEXANOATE HMDB00857 14.5 0.5 160.07356 143.0708208 C'5H9 69.0704214 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14029 1 [M+H-NH3] APJYDQYYACXCRM-UHFFFAOYSA-N C'10H12N2 TRYPTAMINE HMDB00303 20.4 0.5 160.1000484 144.0813256 C'9H9 117.0704214 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14029 1 [M+H-NH3] APJYDQYYACXCRM-UHFFFAOYSA-N C'10H12N2 TRYPTAMINE HMDB00303 20.4 0.5 160.1000484 144.0813256 C'9H7 115.0547722 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14029 1 [M+H-NH3] APJYDQYYACXCRM-UHFFFAOYSA-N C'10H12N2 TRYPTAMINE HMDB00303 20.4 0.5 160.1000484 144.0813256 C'7H7 91.0547722 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 5227 1 [M+H] UZTFMUBKZQVKLK-UHFFFAOYSA-N C'6H11NO3 4-ACETAMIDOBUTANOATE HMDB03681 7.5 2 145.0738932 146.0817182 QEP1_2021_0823_RJ_26_2cd55prm.raw 5227 1 [M+H] UZTFMUBKZQVKLK-UHFFFAOYSA-N C'6H11NO3 4-ACETAMIDOBUTANOATE HMDB03681 7.5 2 145.0738932 146.0817182 C'7H6N 104.0500216 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 5227 1 [M+H] UZTFMUBKZQVKLK-UHFFFAOYSA-N C'6H11NO3 4-ACETAMIDOBUTANOATE HMDB03681 7.5 2 145.0738932 146.0817182 C'4H8NO 86.0605858 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 6708 1 [M+H] TUHVEAJXIMEOSA-UHFFFAOYSA-N C'5H11N3O2 4-GUANIDINOBUTANOATE HMDB03464 10 0.5 145.0851266 146.0929516 C'4H7O2 87.0446022 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 6708 1 [M+H] TUHVEAJXIMEOSA-UHFFFAOYSA-N C'5H11N3O2 4-GUANIDINOBUTANOATE HMDB03464 10 0.5 145.0851266 146.0929516 C'4H8NO 86.0605858 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 6708 1 [M+H] TUHVEAJXIMEOSA-UHFFFAOYSA-N C'5H11N3O2 4-GUANIDINOBUTANOATE HMDB03464 10 0.5 145.0851266 146.0929516 C'3H8O 60.0575118 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 6215 1 [M+] OIPILFWXSMYKGL-UHFFFAOYSA-N C'7H16NO2 ACETYLCHOLINE HMDB00895 9.2 0.5 146.1181038 146.1181038 QEP1_2021_0823_RJ_66_4cd55prm.raw 6215 1 [M+] OIPILFWXSMYKGL-UHFFFAOYSA-N C'7H16NO2 ACETYLCHOLINE HMDB00895 9.2 0.5 146.1181038 146.1181038 C'4H7O2 87.0446022 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 6215 1 [M+] OIPILFWXSMYKGL-UHFFFAOYSA-N C'7H16NO2 ACETYLCHOLINE HMDB00895 9.2 0.5 146.1181038 146.1181038 C'3H10N 60.08132 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 5139 1 [M+H] JHPNVNIEXXLNTR-UHFFFAOYSA-N C'7H15NO2 DEOXYCARNITINE HMDB01161 7.7 1 145.11028 146.118105 QEP1_2021_0823_RJ_41_3ab55prm.raw 5139 1 [M+H] JHPNVNIEXXLNTR-UHFFFAOYSA-N C'7H15NO2 DEOXYCARNITINE HMDB01161 7.7 1 145.11028 146.118105 C'4H7O2 87.0446022 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 5139 1 [M+H] JHPNVNIEXXLNTR-UHFFFAOYSA-N C'7H15NO2 DEOXYCARNITINE HMDB01161 7.7 1 145.11028 146.118105 C'3H10N 60.08132 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 11051 1 [M+H] ATHGHQPFGPMSJY-UHFFFAOYSA-N C'7H19N3 SPERMIDINE HMDB01257 16.41 0.5 145.1578976 146.1657226 C'7H14N 112.1126184 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 10971 1 [M+H] ATHGHQPFGPMSJY-UHFFFAOYSA-N C'7H19N3 SPERMIDINE HMDB01257 16.2 0.5 145.1578976 146.1657226 C'7H14N 112.1126184 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 11051 1 [M+H] ATHGHQPFGPMSJY-UHFFFAOYSA-N C'7H19N3 SPERMIDINE HMDB01257 16.41 0.5 145.1578976 146.1657226 C'5H10N 84.08132 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 10971 1 [M+H] ATHGHQPFGPMSJY-UHFFFAOYSA-N C'7H19N3 SPERMIDINE HMDB01257 16.2 0.5 145.1578976 146.1657226 C'5H10N 84.08132 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 11051 1 [M+H] ATHGHQPFGPMSJY-UHFFFAOYSA-N C'7H19N3 SPERMIDINE HMDB01257 16.41 0.5 145.1578976 146.1657226 C'4H10N 72.08132 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 10971 1 [M+H] ATHGHQPFGPMSJY-UHFFFAOYSA-N C'7H19N3 SPERMIDINE HMDB01257 16.2 0.5 145.1578976 146.1657226 C'4H10N 72.08132 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3038 1 [M+H] ZDXPYRJPNDTMRX-VKHMYHEASA-N C'5H10N2O3 GLUTAMINE HMDB00641 4.5 2 146.0691422 147.0769672 C'4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3038 1 [M+H] ZDXPYRJPNDTMRX-VKHMYHEASA-N C'5H10N2O3 GLUTAMINE HMDB00641 4.5 2 146.0691422 147.0769672 C'4NOH6 84.0449366 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3038 1 [M+H] ZDXPYRJPNDTMRX-VKHMYHEASA-N C'5H10N2O3 GLUTAMINE HMDB00641 4.5 2 146.0691422 147.0769672 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 14309 1 [M+H] LJUQGASMPRMWIW-UHFFFAOYSA-N C'9H10N2 "5,6 DIMETHYLBENZIMIDAZOLE" HMDB03701 21.7 0.5 146.0843983 147.0922233 C'8H8N2 132.0687448 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 14309 1 [M+H] LJUQGASMPRMWIW-UHFFFAOYSA-N C'9H10N2 "5,6 DIMETHYLBENZIMIDAZOLE" HMDB03701 21.7 0.5 146.0843983 147.0922233 C'8H7N2 131.0609202 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 14309 1 [M+H] LJUQGASMPRMWIW-UHFFFAOYSA-N C'9H10N2 "5,6 DIMETHYLBENZIMIDAZOLE" HMDB03701 21.7 0.5 146.0843983 147.0922233 C'8H10N 120.08132 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4168 1 [M+H] KDXKERNSBIXSRK-YFKPBYRVSA-N C'6H14N2O2 LYSINE HMDB00182 6 0.5 146.1055277 147.1133527 QEP1_2021_0823_RJ_26_2cd55prm.raw 4168 1 [M+H] KDXKERNSBIXSRK-YFKPBYRVSA-N C'6H14N2O2 LYSINE HMDB00182 6 0.5 146.1055277 147.1133527 C'5H10N 84.08132 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4168 1 [M+H] KDXKERNSBIXSRK-YFKPBYRVSA-N C'6H14N2O2 LYSINE HMDB00182 6 0.5 146.1055277 147.1133527 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3620 1 [M+H] WHUUTDBJXJRKMK-VKHMYHEASA-N C'5H9NO4 GLUTAMATE HMDB00148 5.2 2 147.0531578 148.0609828 C'4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3620 1 [M+H] WHUUTDBJXJRKMK-VKHMYHEASA-N C'5H9NO4 GLUTAMATE HMDB00148 5.2 2 147.0531578 148.0609828 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3620 1 [M+H] WHUUTDBJXJRKMK-VKHMYHEASA-N C'5H9NO4 GLUTAMATE HMDB00148 5.2 2 147.0531578 148.0609828 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2914 1 [M+H] JJIHLJJYMXLCOY-BYPYZUCNSA-N C'5H9NO4 N-ACETYLSERINE HMDB02931 4.38 2 147.0531578 148.0609828 C'3H8NO3 106.0504158 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2914 1 [M+H] JJIHLJJYMXLCOY-BYPYZUCNSA-N C'5H9NO4 N-ACETYLSERINE HMDB02931 4.38 2 147.0531578 148.0609828 C'3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2914 1 [M+H] JJIHLJJYMXLCOY-BYPYZUCNSA-N C'5H9NO4 N-ACETYLSERINE HMDB02931 4.38 2 147.0531578 148.0609828 C'2H6NO 60.0449366 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3148 1 [M+H] HOKKHZGPKSLGJE-GSVOUGTGSA-N C'5H9NO4 N-METHYLASPARTATE HMDB02393 4.5 2 147.0531578 148.0609828 C'4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3148 1 [M+H] HOKKHZGPKSLGJE-GSVOUGTGSA-N C'5H9NO4 N-METHYLASPARTATE HMDB02393 4.5 2 147.0531578 148.0609828 C'3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3148 1 [M+H] HOKKHZGPKSLGJE-GSVOUGTGSA-N C'5H9NO4 N-METHYLASPARTATE HMDB02393 4.5 2 147.0531578 148.0609828 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 3513 1 [M+H] VZXPDPZARILFQX-BYPYZUCNSA-N C'5H9NO4 O-ACETYLSERINE HMDB03011 5.1 1 147.0531578 148.0609828 C'3H8NO3 106.0504158 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 3513 1 [M+H] VZXPDPZARILFQX-BYPYZUCNSA-N C'5H9NO4 O-ACETYLSERINE HMDB03011 5.1 1 147.0531578 148.0609828 C'3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 3513 1 [M+H] VZXPDPZARILFQX-BYPYZUCNSA-N C'5H9NO4 O-ACETYLSERINE HMDB03011 5.1 1 147.0531578 148.0609828 C'2H6NO 60.0449366 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 14459 1 [M+H] BBZCPUCZKLTAJQ-UHFFFAOYSA-N C'9H9NO 3-METHYL-2-OXINDOLE 1504-06-9 21.4 0.5 147.068414 148.076239 C'8H10N 120.08132 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 14459 1 [M+H] BBZCPUCZKLTAJQ-UHFFFAOYSA-N C'9H9NO 3-METHYL-2-OXINDOLE 1504-06-9 21.4 0.5 147.068414 148.076239 C'7H5O 105.034038 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 14459 1 [M+H] BBZCPUCZKLTAJQ-UHFFFAOYSA-N C'9H9NO 3-METHYL-2-OXINDOLE 1504-06-9 21.4 0.5 147.068414 148.076239 C'8H7 103.0547722 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 5337 1 [M+H] FFEARJCKVFRZRR-BYPYZUCNSA-N C'5H11NO2S METHIONINE HMDB00696 7.7 0.5 149.0510493 150.0588743 C'4H10NS 104.053392 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 5337 1 [M+H] FFEARJCKVFRZRR-BYPYZUCNSA-N C'5H11NO2S METHIONINE HMDB00696 7.7 0.5 149.0510493 150.0588743 C'2H5S 61.011195 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 5337 1 [M+H] FFEARJCKVFRZRR-BYPYZUCNSA-N C'5H11NO2S METHIONINE HMDB00696 7.7 0.5 149.0510493 150.0588743 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 7044 1 [M+H] FSASIHFSFGAIJM-UHFFFAOYSA-N C'6H7N5 3-METHYLADENINE HMDB11600 10.5 0.5 149.0701452 150.0779702 C'5H7N4 123.0670682 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 7044 1 [M+H] FSASIHFSFGAIJM-UHFFFAOYSA-N C'6H7N5 3-METHYLADENINE HMDB11600 10.5 0.5 149.0701452 150.0779702 C'4H5N4 109.051419 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 7044 1 [M+H] FSASIHFSFGAIJM-UHFFFAOYSA-N C'6H7N5 3-METHYLADENINE HMDB11600 10.5 0.5 149.0701452 150.0779702 C'4H6N3 96.0561696 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9919 1 [M+H-NH3] DIVQKHQLANKJQO-UHFFFAOYSA-N C'9H13NO2 3-METHOXYTYRAMINE HMDB00022 14.3 0.5 167.0946287 151.0759037 C'8H7O 119.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9919 1 [M+H-NH3] DIVQKHQLANKJQO-UHFFFAOYSA-N C'9H13NO2 3-METHOXYTYRAMINE HMDB00022 14.3 0.5 167.0946287 151.0759037 C'6H7O 95.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9919 1 [M+H-NH3] DIVQKHQLANKJQO-UHFFFAOYSA-N C'9H13NO2 3-METHOXYTYRAMINE HMDB00022 14.3 0.5 167.0946287 151.0759037 C'7H7 91.0547722 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6821 1 [M+H] UYTPUPDQBNUYGX-UHFFFAOYSA-N C'5H5N5O GUANINE HMDB00132 9.8 0.5 151.0494098 152.0572348 QEP1_2021_0823_RJ_16_1ef55prm.raw 6821 1 [M+H] UYTPUPDQBNUYGX-UHFFFAOYSA-N C'5H5N5O GUANINE HMDB00132 9.8 0.5 151.0494098 152.0572348 C'5H3N4O 135.0306848 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6821 1 [M+H] UYTPUPDQBNUYGX-UHFFFAOYSA-N C'5H5N5O GUANINE HMDB00132 9.8 0.5 151.0494098 152.0572348 C'4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4832 1 [M+H] LRFVTYWOQMYALW-UHFFFAOYSA-N C'5H4N4O2 XANTHINE HMDB00292 7 2 152.0334254 153.0412504 C'4H6N3O2 128.0459996 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4832 1 [M+H] LRFVTYWOQMYALW-UHFFFAOYSA-N C'5H4N4O2 XANTHINE HMDB00292 7 2 152.0334254 153.0412504 C'4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 4832 1 [M+H] LRFVTYWOQMYALW-UHFFFAOYSA-N C'5H4N4O2 XANTHINE HMDB00292 7 2 152.0334254 153.0412504 C'2H3N2 55.0296218 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 14215 1 [M+H] SULYEHHGGXARJS-UHFFFAOYSA-N C'8H8O3 "2',4'-DIHYDROXYACETOPHENONE" HMDB29659 21.28 0.5 152.0473441 153.0551691 C'8H7O2 135.0446022 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 14215 1 [M+H] SULYEHHGGXARJS-UHFFFAOYSA-N C'8H8O3 "2',4'-DIHYDROXYACETOPHENONE" HMDB29659 21.28 0.5 152.0473441 153.0551691 C'6H7O2 111.0446022 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 14215 1 [M+H] SULYEHHGGXARJS-UHFFFAOYSA-N C'8H8O3 "2',4'-DIHYDROXYACETOPHENONE" HMDB29659 21.28 0.5 152.0473441 153.0551691 C'7H7O 107.0496872 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 2682 1 [M+H] HEBKCHPVOIAQTA-IMJSIDKUSA-N C'5H12O5 ARABITOL HMDB01851 4 2 152.0684735 153.0762985 C'5H7O2 99.0446022 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 2682 1 [M+H] HEBKCHPVOIAQTA-IMJSIDKUSA-N C'5H12O5 ARABITOL HMDB01851 4 2 152.0684735 153.0762985 C'4H5O 69.034038 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 2682 1 [M+H] HEBKCHPVOIAQTA-IMJSIDKUSA-N C'5H12O5 ARABITOL HMDB01851 4 2 152.0684735 153.0762985 C'3H5O 57.034038 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 2814 1 [M+H] HEBKCHPVOIAQTA-SCDXWVJYSA-N C'5H12O5 XYLITOL HMDB02917 4.1 2 152.0684735 153.0762985 QEP1_2021_0823_RJ_96_5gh55prm.raw 2814 1 [M+H] HEBKCHPVOIAQTA-SCDXWVJYSA-N C'5H12O5 XYLITOL HMDB02917 4.1 2 152.0684735 153.0762985 C'4H5O 69.034038 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 2814 1 [M+H] HEBKCHPVOIAQTA-SCDXWVJYSA-N C'5H12O5 XYLITOL HMDB02917 4.1 2 152.0684735 153.0762985 C'3H5O 57.034038 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 6296 1 [M+H] QPEJHSFTZVMSJH-UHFFFAOYSA-N C'7H7NO3 3-AMINO-5-HYDROXYBENZOATE 76045-71-1 9.1 0.5 153.042594 154.050419 C'6H8NO2 126.0555008 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 6296 1 [M+H] QPEJHSFTZVMSJH-UHFFFAOYSA-N C'7H7NO3 3-AMINO-5-HYDROXYBENZOATE 76045-71-1 9.1 0.5 153.042594 154.050419 C'6H8NO 110.0605858 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 6296 1 [M+H] QPEJHSFTZVMSJH-UHFFFAOYSA-N C'7H7NO3 3-AMINO-5-HYDROXYBENZOATE 76045-71-1 9.1 0.5 153.042594 154.050419 C'6H6N 92.0500216 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6509 1 [M+H] VYFYYTLLBUKUHU-UHFFFAOYSA-N C'8H11NO2 DOPAMINE HMDB00073 9.3 0.5 153.0789786 154.0868036 C'8H9O2 137.0602514 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6509 1 [M+H] VYFYYTLLBUKUHU-UHFFFAOYSA-N C'8H11NO2 DOPAMINE HMDB00073 9.3 0.5 153.0789786 154.0868036 C'8H7O 119.0496872 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6509 1 [M+H] VYFYYTLLBUKUHU-UHFFFAOYSA-N C'8H11NO2 DOPAMINE HMDB00073 9.3 0.5 153.0789786 154.0868036 C'7H7 91.0547722 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 4019 1 [M+H] HNDVDQJCIGZPNO-YFKPBYRVSA-N C'6H9N3O2 HISTIDINE HMDB00177 6 0.5 155.0694765 156.0773015 C'5H8N3 110.0718188 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 4019 1 [M+H] HNDVDQJCIGZPNO-YFKPBYRVSA-N C'6H9N3O2 HISTIDINE HMDB00177 6 0.5 155.0694765 156.0773015 C'5H7N2 95.0609202 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 4019 1 [M+H] HNDVDQJCIGZPNO-YFKPBYRVSA-N C'6H9N3O2 HISTIDINE HMDB00177 6 0.5 155.0694765 156.0773015 C'4H7N2 83.0609202 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 2989 1 [M+H] PXQPEWDEAKTCGB-UHFFFAOYSA-N C'5H4N2O4 OROTATE HMDB00226 4.4 2 156.0171066 157.0249316 C'4H3N2O2 111.0194518 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 2989 1 [M+H] PXQPEWDEAKTCGB-UHFFFAOYSA-N C'5H4N2O4 OROTATE HMDB00226 4.4 2 156.0171066 157.0249316 C'3H4NO2 86.0242024 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 2989 1 [M+H] PXQPEWDEAKTCGB-UHFFFAOYSA-N C'5H4N2O4 OROTATE HMDB00226 4.4 2 156.0171066 157.0249316 C'3H2NO 68.0136382 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 4357 1 [M+H] ZXYAAVBXHKCJJB-UHFFFAOYSA-N C'5H4N2O4 URACIL 5-CARBOXYLATE 23945-44-0 6.4 2 156.017108 157.024933 C'5H3N2O3 139.0143668 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 4357 1 [M+H] ZXYAAVBXHKCJJB-UHFFFAOYSA-N C'5H4N2O4 URACIL 5-CARBOXYLATE 23945-44-0 6.4 2 156.017108 157.024933 C'4H4NO3 114.0191174 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 4357 1 [M+H] ZXYAAVBXHKCJJB-UHFFFAOYSA-N C'5H4N2O4 URACIL 5-CARBOXYLATE 23945-44-0 6.4 2 156.017108 157.024933 C'3HO2 68.9976546 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 12536 1 [M+H-H2O] TYFQFVWCELRYAO-UHFFFAOYSA-N C'8H14O4 SUBERATE HMDB00893 18.4 0.5 174.0892089 157.0864697 C'6H11 83.0860706 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 12536 1 [M+H-H2O] TYFQFVWCELRYAO-UHFFFAOYSA-N C'8H14O4 SUBERATE HMDB00893 18.4 0.5 174.0892089 157.0864697 C'5H9 69.0704214 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 12536 1 [M+H-H2O] TYFQFVWCELRYAO-UHFFFAOYSA-N C'8H14O4 SUBERATE HMDB00893 18.4 0.5 174.0892089 157.0864697 C'4H7 55.0547722 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 6705 1 [M+H] GNMSLDIYJOSUSW-LURJTMIESA-N C'7H11NO3 N-ACETYLPROLINE 68-95-1 9.8 0.5 157.073894 158.081719 C'5H10NO2 116.07115 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 6705 1 [M+H] GNMSLDIYJOSUSW-LURJTMIESA-N C'7H11NO3 N-ACETYLPROLINE 68-95-1 9.8 0.5 157.073894 158.081719 C'6H10NO 112.076235 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 6705 1 [M+H] GNMSLDIYJOSUSW-LURJTMIESA-N C'7H11NO3 N-ACETYLPROLINE 68-95-1 9.8 0.5 157.073894 158.081719 C'4H8N 70.0656708 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3140 1 [M+H] UFIVEPVSAGBUSI-REOHCLBHSA-N C'5H6N2O4 DIHYDROOROTATE HMDB03349 4.4 2 158.0327567 159.0405817 C'4H5N2O2 113.035101 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3140 1 [M+H] UFIVEPVSAGBUSI-REOHCLBHSA-N C'5H6N2O4 DIHYDROOROTATE HMDB03349 4.4 2 158.0327567 159.0405817 C'3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3140 1 [M+H] UFIVEPVSAGBUSI-REOHCLBHSA-N C'5H6N2O4 DIHYDROOROTATE HMDB03349 4.4 2 158.0327567 159.0405817 C'2H4NO2 74.0242024 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 2877 1 [M+H] POJWUDADGALRAB-UHFFFAOYSA-N C'4H6N4O3 ALLANTOIN HMDB00462 4.1 2 158.0439901 159.0518151 C'3O2N2H3 99.0194518 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 2877 1 [M+H] POJWUDADGALRAB-UHFFFAOYSA-N C'4H6N4O3 ALLANTOIN HMDB00462 4.1 2 158.0439901 159.0518151 C'2H3N3O 85.0276108 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 2877 1 [M+H] POJWUDADGALRAB-UHFFFAOYSA-N C'4H6N4O3 ALLANTOIN HMDB00462 4.1 2 158.0439901 159.0518151 C'N2OH5 61.040186 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 4094 1 [M+H] OYIFNHCXNCRBQI-BYPYZUCNSA-N C'6H11NO4 AMINOADIPATE HMDB00510 5.9 0.5 161.0688078 162.0766328 C'5H10NO2 116.07115 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 4094 1 [M+H] OYIFNHCXNCRBQI-BYPYZUCNSA-N C'6H11NO4 AMINOADIPATE HMDB00510 5.9 0.5 161.0688078 162.0766328 C'5H8NO 98.0605858 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 4094 1 [M+H] OYIFNHCXNCRBQI-BYPYZUCNSA-N C'6H11NO4 AMINOADIPATE HMDB00510 5.9 0.5 161.0688078 162.0766328 C'4H8N 70.0656708 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3374 1 [M+H] XLBVNMSMFQMKEY-BYPYZUCNSA-N C'6H11NO4 N-METHYLGLUTAMATE HMDB0062660 5 2 161.068809 162.076634 C'5H10NO2 116.07115 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3374 1 [M+H] XLBVNMSMFQMKEY-BYPYZUCNSA-N C'6H11NO4 N-METHYLGLUTAMATE HMDB0062660 5 2 161.068809 162.076634 C'5H8NO 98.0605858 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3374 1 [M+H] XLBVNMSMFQMKEY-BYPYZUCNSA-N C'6H11NO4 N-METHYLGLUTAMATE HMDB0062660 5 2 161.068809 162.076634 C'4H8N 70.0656708 1 QEP1_2021_0823_RJ_86_5cd55prm.raw na 1 [M+H] MBBOMCVGYCRMEA-UHFFFAOYSA-N C'10H11NO INDOLE-3-ETHANOL HMDB03447 21 0.5 161.084064 162.091889 QEP1_2021_0823_RJ_86_5cd55prm.raw na 1 [M+H] MBBOMCVGYCRMEA-UHFFFAOYSA-N C'10H11NO INDOLE-3-ETHANOL HMDB03447 21 0.5 161.084064 162.091889 C'9H9 117.0704214 1 QEP1_2021_0823_RJ_86_5cd55prm.raw na 1 [M+H] MBBOMCVGYCRMEA-UHFFFAOYSA-N C'10H11NO INDOLE-3-ETHANOL HMDB03447 21 0.5 161.084064 162.091889 C'9H7 115.0547722 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4208 1 [M+H] PHIQHXFUZVPYII-ZCFIWIBFSA-O C'7H15NO3 L-CARNITINE HMDB00062 6.25 1 161.1051934 162.1130184 C'4H7O3 103.0395172 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4208 1 [M+H] PHIQHXFUZVPYII-ZCFIWIBFSA-O C'7H15NO3 L-CARNITINE HMDB00062 6.25 1 161.1051934 162.1130184 C'4H5O2 85.028953 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4208 1 [M+H] PHIQHXFUZVPYII-ZCFIWIBFSA-O C'7H15NO3 L-CARNITINE HMDB00062 6.25 1 161.1051934 162.1130184 C'3H10N 60.08132 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3935 1 [M+H] YSMODUONRAFBET-UHNVWZDZSA-N C'6H14N2O3 5-HYDROXYLYSINE HMDB00450 5.8 0.5 162.1004423 163.1082673 C'6H10NO2 128.07115 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3935 1 [M+H] YSMODUONRAFBET-UHNVWZDZSA-N C'6H14N2O3 5-HYDROXYLYSINE HMDB00450 5.8 0.5 162.1004423 163.1082673 C'5H10NO 100.076235 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3935 1 [M+H] YSMODUONRAFBET-UHNVWZDZSA-N C'6H14N2O3 5-HYDROXYLYSINE HMDB00450 5.8 0.5 162.1004423 163.1082673 C'5H8N 82.0656708 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 6029 1 [M+H] HNXQXTQTPAJEJL-UHFFFAOYSA-N C'6H5N5O PTERIN HMDB00802 8.7 1 163.0494098 164.0572348 C'5H5N4O 137.046334 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 6029 1 [M+H] HNXQXTQTPAJEJL-UHFFFAOYSA-N C'6H5N5O PTERIN HMDB00802 8.7 1 163.0494098 164.0572348 C'5H5N4 121.051419 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 6029 1 [M+H] HNXQXTQTPAJEJL-UHFFFAOYSA-N C'6H5N5O PTERIN HMDB00802 8.7 1 163.0494098 164.0572348 C'5H3N4 119.0357698 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5248 1 [M+H] UYEUUXMDVNYCAM-UHFFFAOYSA-N C'6H4N4O2 "2,4-DIHYDROXYPTERIDINE" 487-21-8 7.7 0.5 164.033426 165.041251 C'5H4N3O2 138.0303504 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5248 1 [M+H] UYEUUXMDVNYCAM-UHFFFAOYSA-N C'6H4N4O2 "2,4-DIHYDROXYPTERIDINE" 487-21-8 7.7 0.5 164.033426 165.041251 C'4H6N3O 112.0510846 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 5248 1 [M+H] UYEUUXMDVNYCAM-UHFFFAOYSA-N C'6H4N4O2 "2,4-DIHYDROXYPTERIDINE" 487-21-8 7.7 0.5 164.033426 165.041251 C'4H4N3 94.0405204 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 9099 1 [M+H] COLNVLDHVKWLRT-QMMMGPOBSA-N C'9H11NO2 PHENYLALANINE HMDB00159 13.1 0.5 165.0789786 166.0868036 QEP1_2021_0823_RJ_16_1ef55prm.raw 9099 1 [M+H] COLNVLDHVKWLRT-QMMMGPOBSA-N C'9H11NO2 PHENYLALANINE HMDB00159 13.1 0.5 165.0789786 166.0868036 C'8H10N 120.08132 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 9099 1 [M+H] COLNVLDHVKWLRT-QMMMGPOBSA-N C'9H11NO2 PHENYLALANINE HMDB00159 13.1 0.5 165.0789786 166.0868036 C'8H7 103.0547722 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7027 1 [M+H-H2O] YNYAYWLBAHXHLL-UHFFFAOYSA-N C'9H13NO3 NORMETANEPHRINE HMDB00819 10.2 0.5 183.0895433 166.0868183 C'8H8NO 134.0605858 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7027 1 [M+H-H2O] YNYAYWLBAHXHLL-UHFFFAOYSA-N C'9H13NO3 NORMETANEPHRINE HMDB00819 10.2 0.5 183.0895433 166.0868183 C'8H9O 121.0653364 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7027 1 [M+H-H2O] YNYAYWLBAHXHLL-UHFFFAOYSA-N C'9H13NO3 NORMETANEPHRINE HMDB00819 10.2 0.5 183.0895433 166.0868183 C'7H8N 106.0656708 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9970 1 [M+H] UIJIQXGRFSPYQW-UHFFFAOYSA-N C'6H6N4S THIOPURINE S-METHYLETHER HMDB60412 14.5 0.5 166.031318 167.039143 C'6H6N4 134.0592436 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9970 1 [M+H] UIJIQXGRFSPYQW-UHFFFAOYSA-N C'6H6N4S THIOPURINE S-METHYLETHER HMDB60412 14.5 0.5 166.031318 167.039143 C'4H4N3S 126.0125924 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 9970 1 [M+H] UIJIQXGRFSPYQW-UHFFFAOYSA-N C'6H6N4S THIOPURINE S-METHYLETHER HMDB60412 14.5 0.5 166.031318 167.039143 C'5H3N4 119.0357698 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 3721 1 [M+H] LJCWONGJFPCTTL-ZETCQYMHSA-N C'8H9NO3 4-HYDROXY-L-PHENYLGLYCINE 32462-30-9 5.6 0.5 167.05824 168.066065 C'8H7O3 151.0395172 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 3721 1 [M+H] LJCWONGJFPCTTL-ZETCQYMHSA-N C'8H9NO3 4-HYDROXY-L-PHENYLGLYCINE 32462-30-9 5.6 0.5 167.05824 168.066065 C'7H7O2 123.0446022 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 3721 1 [M+H] LJCWONGJFPCTTL-ZETCQYMHSA-N C'8H9NO3 4-HYDROXY-L-PHENYLGLYCINE 32462-30-9 5.6 0.5 167.05824 168.066065 C'6H7O 95.0496872 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 6957 1 [M+H] RADKZDMFGJYCBB-UHFFFAOYSA-N C'8H9NO3 PYRIDOXAL HMDB01545 10.2 0.5 167.0582432 168.0660682 C'7H8NO 122.0605858 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 6957 1 [M+H] RADKZDMFGJYCBB-UHFFFAOYSA-N C'8H9NO3 PYRIDOXAL HMDB01545 10.2 0.5 167.0582432 168.0660682 C'7H8N 106.0656708 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 6957 1 [M+H] RADKZDMFGJYCBB-UHFFFAOYSA-N C'8H9NO3 PYRIDOXAL HMDB01545 10.2 0.5 167.0582432 168.0660682 C'6H8N 94.0656708 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 7401 1 [M+H] NHZMQXZHNVQTQA-UHFFFAOYSA-N C'8H12N2O2 PYRIDOXAMINE HMDB01431 11 0.5 168.0898776 169.0977026 C'8H8NO 134.0605858 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 7401 1 [M+H] NHZMQXZHNVQTQA-UHFFFAOYSA-N C'8H12N2O2 PYRIDOXAMINE HMDB01431 11 0.5 168.0898776 169.0977026 C'7H10NO 124.076235 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 7401 1 [M+H] NHZMQXZHNVQTQA-UHFFFAOYSA-N C'8H12N2O2 PYRIDOXAMINE HMDB01431 11 0.5 168.0898776 169.0977026 C'7H8N 106.0656708 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 2640 1 [M+H] XVOYSCVBGLVSOL-UHFFFAOYSA-N C'3H7NO5S CYSTEATE HMDB02757 4 2 169.004493 170.012318 QEP1_2021_0823_RJ_36_2gh55prm.raw 2640 1 [M+H] XVOYSCVBGLVSOL-UHFFFAOYSA-N C'3H7NO5S CYSTEATE HMDB02757 4 2 169.004493 170.012318 C'2H6NO3S 124.0068386 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 2640 1 [M+H] XVOYSCVBGLVSOL-UHFFFAOYSA-N C'3H7NO5S CYSTEATE HMDB02757 4 2 169.004493 170.012318 C'2H4NO2S 105.9962744 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 7881 1 [M+H] LXNHXLLTXMVWPM-UHFFFAOYSA-N C'8H11NO3 PYRIDOXINE HMDB00239 11.32 0.5 169.0738932 170.0817182 C'8H10NO2 152.07115 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 7881 1 [M+H] LXNHXLLTXMVWPM-UHFFFAOYSA-N C'8H11NO3 PYRIDOXINE HMDB00239 11.32 0.5 169.0738932 170.0817182 C'8H8NO 134.0605858 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 7881 1 [M+H] LXNHXLLTXMVWPM-UHFFFAOYSA-N C'8H11NO3 PYRIDOXINE HMDB00239 11.32 0.5 169.0738932 170.0817182 C'7H10NO 124.076235 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4331 1 [M+H] BRMWTNUJHUMWMS-LURJTMIESA-N C'7H11N3O2 1-METHYL-L-HISTIDINE HMDB00001 6.3 0.5 169.0851266 170.0929516 C'6H10N3 124.087468 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4331 1 [M+H] BRMWTNUJHUMWMS-LURJTMIESA-N C'7H11N3O2 1-METHYL-L-HISTIDINE HMDB00001 6.3 0.5 169.0851266 170.0929516 C'6H9N2 109.0765694 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 4331 1 [M+H] BRMWTNUJHUMWMS-LURJTMIESA-N C'7H11N3O2 1-METHYL-L-HISTIDINE HMDB00001 6.3 0.5 169.0851266 170.0929516 C'4H7N2 83.0609202 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 15342 1 [M+H-H2O] BDJRBEYXGGNYIS-UHFFFAOYSA-N C'9H16O4 AZELATE HMDB00784 22.5 0.5 188.104859 171.1021198 C'7H13 97.1017198 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 15342 1 [M+H-H2O] BDJRBEYXGGNYIS-UHFFFAOYSA-N C'9H16O4 AZELATE HMDB00784 22.5 0.5 188.104859 171.1021198 C'6H11 83.0860706 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 15342 1 [M+H-H2O] BDJRBEYXGGNYIS-UHFFFAOYSA-N C'9H16O4 AZELATE HMDB00784 22.5 0.5 188.104859 171.1021198 C'4H7 55.0547722 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 17935 1 [M+H-H2O] YJCJVMMDTBEITC-UHFFFAOYSA-N C'10H20O3 10-HYDROXYDECANOATE 1679-53-4 26.4 0.5 188.141245 171.1385058 C'10H15 135.117369 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 17935 1 [M+H-H2O] YJCJVMMDTBEITC-UHFFFAOYSA-N C'10H20O3 10-HYDROXYDECANOATE 1679-53-4 26.4 0.5 188.141245 171.1385058 C'7H9 93.0704214 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 17935 1 [M+H-H2O] YJCJVMMDTBEITC-UHFFFAOYSA-N C'10H20O3 10-HYDROXYDECANOATE 1679-53-4 26.4 0.5 188.141245 171.1385058 C'5H9 69.0704214 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9736 1 [M+H] LOAUVZALPPNFOQ-UHFFFAOYSA-N C'10H7NO2 2-QUINOLINECARBOXYLATE HMDB00842 14.1 1 173.0476785 174.0555035 QEP1_2021_0823_RJ_96_5gh55prm.raw 9736 1 [M+H] LOAUVZALPPNFOQ-UHFFFAOYSA-N C'10H7NO2 2-QUINOLINECARBOXYLATE HMDB00842 14.1 1 173.0476785 174.0555035 C'9H8NO 146.0605858 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9736 1 [M+H] LOAUVZALPPNFOQ-UHFFFAOYSA-N C'10H7NO2 2-QUINOLINECARBOXYLATE HMDB00842 14.1 1 173.0476785 174.0555035 C'9H6N 128.0500216 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 5608 1 [M+H] VQMSRUREDGBWKT-UHFFFAOYSA-N C'10H7NO2 4-QUINOLINECARBOXYLATE 486-74-8 8.3 0.5 173.047679 174.055504 C'9H8NO 146.0605858 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 5608 1 [M+H] VQMSRUREDGBWKT-UHFFFAOYSA-N C'10H7NO2 4-QUINOLINECARBOXYLATE 486-74-8 8.3 0.5 173.047679 174.055504 C'9H8N 130.0656708 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 5608 1 [M+H] VQMSRUREDGBWKT-UHFFFAOYSA-N C'10H7NO2 4-QUINOLINECARBOXYLATE 486-74-8 8.3 0.5 173.047679 174.055504 C'9H6N 128.0500216 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10882 1 [M+H] WXNXCEHXYPACJF-ZETCQYMHSA-N C'8H15NO3 N-ACETYLLEUCINE HMDB11756 15.9 0.5 173.1051934 174.1130184 C'6H14NO2 132.1024484 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10882 1 [M+H] WXNXCEHXYPACJF-ZETCQYMHSA-N C'8H15NO3 N-ACETYLLEUCINE HMDB11756 15.9 0.5 173.1051934 174.1130184 C'7H14NO 128.1075334 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 10882 1 [M+H] WXNXCEHXYPACJF-ZETCQYMHSA-N C'8H15NO3 N-ACETYLLEUCINE HMDB11756 15.9 0.5 173.1051934 174.1130184 C'5H12N 86.0969692 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 2811 1 [M+H] HXFOXFJUNFFYMO-BYPYZUCNSA-N C'6H10N2O4 N-ACETYLASPARAGINE HMDB06028 4.33 1 174.0640568 175.0718818 C'4H9N2O3 133.0613144 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 2811 1 [M+H] HXFOXFJUNFFYMO-BYPYZUCNSA-N C'6H10N2O4 N-ACETYLASPARAGINE HMDB06028 4.33 1 174.0640568 175.0718818 C'3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 2811 1 [M+H] HXFOXFJUNFFYMO-BYPYZUCNSA-N C'6H10N2O4 N-ACETYLASPARAGINE HMDB06028 4.33 1 174.0640568 175.0718818 C'3H7N2O 87.0558352 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 11468 1 [M+H] ZOAMBXDOGPRZLP-UHFFFAOYSA-N C'10H10N2O INDOLE-3-ACETAMIDE HMDB29739 16.9 0.5 174.079313 175.087138 QEP1_2021_0823_RJ_91_5ef55prm.raw 11468 1 [M+H] ZOAMBXDOGPRZLP-UHFFFAOYSA-N C'10H10N2O INDOLE-3-ACETAMIDE HMDB29739 16.9 0.5 174.079313 175.087138 C'10H8NO 158.0605858 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 11468 1 [M+H] ZOAMBXDOGPRZLP-UHFFFAOYSA-N C'10H10N2O INDOLE-3-ACETAMIDE HMDB29739 16.9 0.5 174.079313 175.087138 C'9H8N 130.0656708 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 4627 1 [M+H] ODKSFYDXXFIFQN-BYPYZUCNSA-N C'6H14N4O2 ARGININE HMDB00517 6.9 0.5 174.1116757 175.1195007 C'5H10NO2 116.07115 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 4627 1 [M+H] ODKSFYDXXFIFQN-BYPYZUCNSA-N C'6H14N4O2 ARGININE HMDB00517 6.9 0.5 174.1116757 175.1195007 C'4H8N 70.0656708 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 4627 1 [M+H] ODKSFYDXXFIFQN-BYPYZUCNSA-N C'6H14N4O2 ARGININE HMDB00517 6.9 0.5 174.1116757 175.1195007 C'H6N3 60.0561696 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14629 1 [M+H] NCIKQJBVUNUXLW-UHFFFAOYSA-N C'11H14N2 N-METHYLTRYPTAMINE HMDB04370 21.25 0.5 174.1156985 175.1235235 C'10H10N 144.08132 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14629 1 [M+H] NCIKQJBVUNUXLW-UHFFFAOYSA-N C'11H14N2 N-METHYLTRYPTAMINE HMDB04370 21.25 0.5 174.1156985 175.1235235 C'9H10N 132.08132 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14629 1 [M+H] NCIKQJBVUNUXLW-UHFFFAOYSA-N C'11H14N2 N-METHYLTRYPTAMINE HMDB04370 21.25 0.5 174.1156985 175.1235235 C'9H9 117.0704214 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 3611 1 [M+H] OTCCIMWXFLJLIA-BYPYZUCNSA-N C'6H9NO5 N-ACETYLASPARTATE HMDB00812 5.6 2 175.0480724 176.0558974 C'4H8NO4 134.0453308 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 3611 1 [M+H] OTCCIMWXFLJLIA-BYPYZUCNSA-N C'6H9NO5 N-ACETYLASPARTATE HMDB00812 5.6 2 175.0480724 176.0558974 C'3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 3611 1 [M+H] OTCCIMWXFLJLIA-BYPYZUCNSA-N C'6H9NO5 N-ACETYLASPARTATE HMDB00812 5.6 2 175.0480724 176.0558974 C'2H4NO2 74.0242024 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3868 1 [M+H] VVHOUVWJCQOYGG-REOHCLBHSA-N C'5H9N3O4 GUANIDINOSUCCINATE HMDB03157 5.7 0.5 175.0593058 176.0671308 C'4H8NO4 134.0453308 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3868 1 [M+H] VVHOUVWJCQOYGG-REOHCLBHSA-N C'5H9N3O4 GUANIDINOSUCCINATE HMDB03157 5.7 0.5 175.0593058 176.0671308 C'3H6NO2 88.0398516 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3868 1 [M+H] VVHOUVWJCQOYGG-REOHCLBHSA-N C'5H9N3O4 GUANIDINOSUCCINATE HMDB03157 5.7 0.5 175.0593058 176.0671308 C'2H4NO2 74.0242024 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3640 1 [M+H] RHGKLRLOHDJJDR-BYPYZUCNSA-N C'6H13N3O3 CITRULLINE HMDB00904 5.62 0.5 175.0956913 176.1035163 QEP1_2021_0823_RJ_06_1ab55prm.raw 3640 1 [M+H] RHGKLRLOHDJJDR-BYPYZUCNSA-N C'6H13N3O3 CITRULLINE HMDB00904 5.62 0.5 175.0956913 176.1035163 C'5N2OH9 113.0714844 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3640 1 [M+H] RHGKLRLOHDJJDR-BYPYZUCNSA-N C'6H13N3O3 CITRULLINE HMDB00904 5.62 0.5 175.0956913 176.1035163 C'4NH8 70.0656708 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 7128 1 [M+H] PYUSHNKNPOHWEZ-YFKPBYRVSA-N C'6H11NO3S N-FORMYL-L-METHIONINE HMDB01015 10.5 0.5 177.0459639 178.0537889 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 7128 1 [M+H] PYUSHNKNPOHWEZ-YFKPBYRVSA-N C'6H11NO3S N-FORMYL-L-METHIONINE HMDB01015 10.5 0.5 177.0459639 178.0537889 C'2H5S 61.011195 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 7128 1 [M+H] PYUSHNKNPOHWEZ-YFKPBYRVSA-N C'6H11NO3S N-FORMYL-L-METHIONINE HMDB01015 10.5 0.5 177.0459639 178.0537889 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3750 1 [M+H] GBFLZEXEOZUWRN-UHFFFAOYSA-N C'5H9NO4S S-CARBOXYMETHYLCYSTEINE HMDB29415 5.5 0.5 179.0252285 180.0330535 C'4H8NO2S 134.0275728 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3750 1 [M+H] GBFLZEXEOZUWRN-UHFFFAOYSA-N C'5H9NO4S S-CARBOXYMETHYLCYSTEINE HMDB29415 5.5 0.5 179.0252285 180.0330535 C'3H5OS 89.00611 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3750 1 [M+H] GBFLZEXEOZUWRN-UHFFFAOYSA-N C'5H9NO4S S-CARBOXYMETHYLCYSTEINE HMDB29415 5.5 0.5 179.0252285 180.0330535 C'2H5S 61.011195 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9331 1 [M+H] QIAFMBKCNZACKA-UHFFFAOYSA-N C'9H9NO3 HIPPURATE HMDB00714 13.5 0.5 179.0582432 180.0660682 C'7H5O 105.034038 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9331 1 [M+H] QIAFMBKCNZACKA-UHFFFAOYSA-N C'9H9NO3 HIPPURATE HMDB00714 13.5 0.5 179.0582432 180.0660682 C'6H7O 95.0496872 1 QEP1_2021_0823_RJ_96_5gh55prm.raw 9331 1 [M+H] QIAFMBKCNZACKA-UHFFFAOYSA-N C'9H9NO3 HIPPURATE HMDB00714 13.5 0.5 179.0582432 180.0660682 C'6H5 77.039123 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3602 1 [M+H] MSWZFWKMSRAUBD-IVMDWMLBSA-N C'6H13NO5 GLUCOSAMINE HMDB01514 5.2 2 179.0793725 180.0871975 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3602 1 [M+H] MSWZFWKMSRAUBD-IVMDWMLBSA-N C'6H13NO5 GLUCOSAMINE HMDB01514 5.2 2 179.0793725 180.0871975 C'3H6NO 72.0449366 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3602 1 [M+H] MSWZFWKMSRAUBD-IVMDWMLBSA-N C'6H13NO5 GLUCOSAMINE HMDB01514 5.2 2 179.0793725 180.0871975 C'2H6NO 60.0449366 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3510 1 [M+H] CBOJBBMQJBVCMW-DEZHIRTDSA-N C'6H13NO5 D-MANNOSAMINE 5505-63-5 5.3 2 179.079374 180.087199 C'6H10NO3 144.066065 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3510 1 [M+H] CBOJBBMQJBVCMW-DEZHIRTDSA-N C'6H13NO5 D-MANNOSAMINE 5505-63-5 5.3 2 179.079374 180.087199 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3510 1 [M+H] CBOJBBMQJBVCMW-DEZHIRTDSA-N C'6H13NO5 D-MANNOSAMINE 5505-63-5 5.3 2 179.079374 180.087199 C'3H6NO 72.0449366 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 3384 1 [M+H] CBOJBBMQJBVCMW-NQZVPSPJSA-N C'6H13NO5 GALACTOSAMINE 1772-03-8 5.25 2 179.079374 180.087199 C'6H8NO2 126.0555008 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 3384 1 [M+H] CBOJBBMQJBVCMW-NQZVPSPJSA-N C'6H13NO5 GALACTOSAMINE 1772-03-8 5.25 2 179.079374 180.087199 C'5H6NO 96.0449366 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 3384 1 [M+H] CBOJBBMQJBVCMW-NQZVPSPJSA-N C'6H13NO5 GALACTOSAMINE 1772-03-8 5.25 2 179.079374 180.087199 C'3H6NO 72.0449366 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 7487 1 [M+H] IBRKLUSXDYATLG-LURJTMIESA-N C'10H13NO2 SALSOLINOL HMDB42012 10.9 2 179.094629 180.102454 C'10H11O2 163.0759006 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 7487 1 [M+H] IBRKLUSXDYATLG-LURJTMIESA-N C'10H13NO2 SALSOLINOL HMDB42012 10.9 2 179.094629 180.102454 C'10H9O 145.0653364 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 7487 1 [M+H] IBRKLUSXDYATLG-LURJTMIESA-N C'10H13NO2 SALSOLINOL HMDB42012 10.9 2 179.094629 180.102454 C'9H9 117.0704214 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 3577 1 [M+H] SXTAYKAGBXMACB-UHFFFAOYSA-N C'5H12N2O3S METHIONINE SULFOXIMINE HMDB29430 5.56 0.5 180.056863 181.064688 C'4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 3577 1 [M+H] SXTAYKAGBXMACB-UHFFFAOYSA-N C'5H12N2O3S METHIONINE SULFOXIMINE HMDB29430 5.56 0.5 180.056863 181.064688 C'3H6S 74.0190196 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 3577 1 [M+H] SXTAYKAGBXMACB-UHFFFAOYSA-N C'5H12N2O3S METHIONINE SULFOXIMINE HMDB29430 5.56 0.5 180.056863 181.064688 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 2671 1 [M+H] CDAISMWEOUEBRE-GPIVLXJGSA-N C'6H12O6 MYOINOSITOL HMDB00211 4 2 180.0633881 181.0712131 C'6H5O2 109.028953 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 2671 1 [M+H] CDAISMWEOUEBRE-GPIVLXJGSA-N C'6H12O6 MYOINOSITOL HMDB00211 4 2 180.0633881 181.0712131 C'5H5O 81.034038 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 2671 1 [M+H] CDAISMWEOUEBRE-GPIVLXJGSA-N C'6H12O6 MYOINOSITOL HMDB00211 4 2 180.0633881 181.0712131 C'4H5O 69.034038 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 8752 1 [M+H] QUNWUDVFRNGTCO-UHFFFAOYSA-N C'7H8N4O2 PARAXANTHINE HMDB01860 12.6 0.5 180.0647255 181.0725505 C'5H8N3O2 142.0616488 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 8752 1 [M+H] QUNWUDVFRNGTCO-UHFFFAOYSA-N C'7H8N4O2 PARAXANTHINE HMDB01860 12.6 0.5 180.0647255 181.0725505 C'5H6N3O 124.0510846 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 8752 1 [M+H] QUNWUDVFRNGTCO-UHFFFAOYSA-N C'7H8N4O2 PARAXANTHINE HMDB01860 12.6 0.5 180.0647255 181.0725505 C'4H6N3 96.0561696 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 7467 1 [M+H] YAPQBXQYLJRXSA-UHFFFAOYSA-N C'7H8N4O2 THEOBROMINE HMDB02825 11.3 0.5 180.0647255 181.0725505 C'6H8N3O 138.0667338 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 7467 1 [M+H] YAPQBXQYLJRXSA-UHFFFAOYSA-N C'7H8N4O2 THEOBROMINE HMDB02825 11.3 0.5 180.0647255 181.0725505 C'5H6N3 108.0561696 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 7467 1 [M+H] YAPQBXQYLJRXSA-UHFFFAOYSA-N C'7H8N4O2 THEOBROMINE HMDB02825 11.3 0.5 180.0647255 181.0725505 C'3H3N2 67.0296218 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 8885 1 [M+H] ZFXYFBGIUFBOJW-UHFFFAOYSA-N C'7H8N4O2 THEOPHYLLINE HMDB01889 12.76 0.5 180.0647255 181.0725505 C'5H8N3O2 142.0616488 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 8885 1 [M+H] ZFXYFBGIUFBOJW-UHFFFAOYSA-N C'7H8N4O2 THEOPHYLLINE HMDB01889 12.76 0.5 180.0647255 181.0725505 C'5H6N3O 124.0510846 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 8885 1 [M+H] ZFXYFBGIUFBOJW-UHFFFAOYSA-N C'7H8N4O2 THEOPHYLLINE HMDB01889 12.76 0.5 180.0647255 181.0725505 C'4H6N3 96.0561696 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 7445 1 [M+H] OUYCCCASQSFEME-QMMMGPOBSA-N C'9H11NO3 TYROSINE HMDB00158 10.7 0.5 181.0738932 182.0817182 C'8H10NO 136.076235 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 7445 1 [M+H] OUYCCCASQSFEME-QMMMGPOBSA-N C'9H11NO3 TYROSINE HMDB00158 10.7 0.5 181.0738932 182.0817182 C'7H7O2 123.0446022 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 7445 1 [M+H] OUYCCCASQSFEME-QMMMGPOBSA-N C'9H11NO3 TYROSINE HMDB00158 10.7 0.5 181.0738932 182.0817182 C'8H7O 119.0496872 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 2773 1 [M+H] FBPFZTCFMRRESA-GUCUJZIJSA-N C'6H14O6 GALACTITOL HMDB00107 4 2 182.0790382 183.0868632 C'5H7O2 99.0446022 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 2773 1 [M+H] FBPFZTCFMRRESA-GUCUJZIJSA-N C'6H14O6 GALACTITOL HMDB00107 4 2 182.0790382 183.0868632 C'5H7O 83.0496872 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 2773 1 [M+H] FBPFZTCFMRRESA-GUCUJZIJSA-N C'6H14O6 GALACTITOL HMDB00107 4 2 182.0790382 183.0868632 C'4H5O 69.034038 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 2647 1 [M+H] FBPFZTCFMRRESA-KVTDHHQDSA-N C'6H14O6 MANNITOL HMDB00765 4 2 182.0790382 183.0868632 C'5H7O 83.0496872 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 2647 1 [M+H] FBPFZTCFMRRESA-KVTDHHQDSA-N C'6H14O6 MANNITOL HMDB00765 4 2 182.0790382 183.0868632 C'4H5O 69.034038 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 2647 1 [M+H] FBPFZTCFMRRESA-KVTDHHQDSA-N C'6H14O6 MANNITOL HMDB00765 4 2 182.0790382 183.0868632 C'3H5O 57.034038 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2684 1 [M+H] FBPFZTCFMRRESA-JGWLITMVSA-N C'6H14O6 SORBITOL HMDB00247 4 2 182.0790382 183.0868632 C'4H5O2 85.028953 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2684 1 [M+H] FBPFZTCFMRRESA-JGWLITMVSA-N C'6H14O6 SORBITOL HMDB00247 4 2 182.0790382 183.0868632 C'5H7O 83.0496872 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2684 1 [M+H] FBPFZTCFMRRESA-JGWLITMVSA-N C'6H14O6 SORBITOL HMDB00247 4 2 182.0790382 183.0868632 C'4H5O 69.034038 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6954 1 [M+H] HXACOUQIXZGNBF-UHFFFAOYSA-N C'8H9NO4 4-PYRIDOXATE HMDB00017 9.6 1 183.0531578 184.0609828 C'8H8NO3 166.0504158 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6954 1 [M+H] HXACOUQIXZGNBF-UHFFFAOYSA-N C'8H9NO4 4-PYRIDOXATE HMDB00017 9.6 1 183.0531578 184.0609828 C'8H6NO2 148.0398516 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 6954 1 [M+H] HXACOUQIXZGNBF-UHFFFAOYSA-N C'8H9NO4 4-PYRIDOXATE HMDB00017 9.6 1 183.0531578 184.0609828 C'7H8NO2 138.0555008 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 2863 1 [M+H] GNGACRATGGDKBX-UHFFFAOYSA-N C'5H14NO4P PHOSPHORYLCHOLINE HMDB01565 4.3 2 183.06604 184.073865 C'2H6O4P 125.0003706 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 2863 1 [M+H] GNGACRATGGDKBX-UHFFFAOYSA-N C'5H14NO4P PHOSPHORYLCHOLINE HMDB01565 4.3 2 183.06604 184.073865 H4O4P 98.9847214 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 2863 1 [M+H] GNGACRATGGDKBX-UHFFFAOYSA-N C'5H14NO4P PHOSPHORYLCHOLINE HMDB01565 4.3 2 183.06604 184.073865 C'5H12N 86.0969692 1 QEP1_2021_1216_RJ_34_mix3.raw 6114 1 [M+H] UCTWMZQNUQWSLP-VIFPVBQESA-N C'9H13NO3 EPINEPHRINE HMDB00068 9.2 0.5 183.0895433 184.0973683 C'8H9NO2 151.0633254 1 QEP1_2021_1216_RJ_34_mix3.raw 6114 1 [M+H] UCTWMZQNUQWSLP-VIFPVBQESA-N C'9H13NO3 EPINEPHRINE HMDB00068 9.2 0.5 183.0895433 184.0973683 C'8H7O2 135.0446022 1 QEP1_2021_1216_RJ_34_mix3.raw 6114 1 [M+H] UCTWMZQNUQWSLP-VIFPVBQESA-N C'9H13NO3 EPINEPHRINE HMDB00068 9.2 0.5 183.0895433 184.0973683 C'7H7O 107.0496872 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4987 1 [M+H] VEYYWZRYIYDQJM-ZETCQYMHSA-N C'8H16N2O3 N-ALPHA-ACETYLLYSINE HMDB00446 7.4 1 188.1160924 189.1239174 C'6H12NO2 130.0867992 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4987 1 [M+H] VEYYWZRYIYDQJM-ZETCQYMHSA-N C'8H16N2O3 N-ALPHA-ACETYLLYSINE HMDB00446 7.4 1 188.1160924 189.1239174 C'6H13N2O 129.1027828 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 4987 1 [M+H] VEYYWZRYIYDQJM-ZETCQYMHSA-N C'8H16N2O3 N-ALPHA-ACETYLLYSINE HMDB00446 7.4 1 188.1160924 189.1239174 C'5H10N 84.08132 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 4547 1 [M+H] MXNRLFUSFKVQSK-QMMMGPOBSA-N C'9H20N2O2 "N,N,N-TRIMETHYLLYSINE" HMDB01325 6.8 0.5 188.1524779 189.1603029 C'6H12NO2 130.0867992 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 4547 1 [M+H] MXNRLFUSFKVQSK-QMMMGPOBSA-N C'9H20N2O2 "N,N,N-TRIMETHYLLYSINE" HMDB01325 6.8 0.5 188.1524779 189.1603029 C'5H10N 84.08132 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 4547 1 [M+H] MXNRLFUSFKVQSK-QMMMGPOBSA-N C'9H20N2O2 "N,N,N-TRIMETHYLLYSINE" HMDB01325 6.8 0.5 188.1524779 189.1603029 C'3H10N 60.08132 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 9308 1 [M+H] HCZHHEIFKROPDY-UHFFFAOYSA-N C'10H7NO3 KYNURENATE HMDB00715 13.6 1.5 189.0425931 190.0504181 QEP1_2021_0823_RJ_81_5ab55prm.raw 9308 1 [M+H] HCZHHEIFKROPDY-UHFFFAOYSA-N C'10H7NO3 KYNURENATE HMDB00715 13.6 1.5 189.0425931 190.0504181 C'9H8NO2 162.0555008 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 9308 1 [M+H] HCZHHEIFKROPDY-UHFFFAOYSA-N C'10H7NO3 KYNURENATE HMDB00715 13.6 1.5 189.0425931 190.0504181 C'9H6NO 144.0449366 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3972 1 [M+H] RFMMMVDNIPUKGG-YFKPBYRVSA-N C'7H11NO5 N-ACETYLGLUTAMATE HMDB01138 5.9 2 189.0637225 190.0715475 C'5H8NO3 130.0504158 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3972 1 [M+H] RFMMMVDNIPUKGG-YFKPBYRVSA-N C'7H11NO5 N-ACETYLGLUTAMATE HMDB01138 5.9 2 189.0637225 190.0715475 C'4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 3972 1 [M+H] RFMMMVDNIPUKGG-YFKPBYRVSA-N C'7H11NO5 N-ACETYLGLUTAMATE HMDB01138 5.9 2 189.0637225 190.0715475 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_106_6cd55prm.raw 18708 1 [M+H] KTHADMDGDNYQRX-UHFFFAOYSA-N C'11H11NO2 INDOLE-3-METHYL ACETATE HMDB29738 27.3 0.5 189.0789786 190.0868036 QEP1_2021_0823_RJ_106_6cd55prm.raw 18708 1 [M+H] KTHADMDGDNYQRX-UHFFFAOYSA-N C'11H11NO2 INDOLE-3-METHYL ACETATE HMDB29738 27.3 0.5 189.0789786 190.0868036 QEP1_2021_0823_RJ_106_6cd55prm.raw 18708 1 [M+H] KTHADMDGDNYQRX-UHFFFAOYSA-N C'11H11NO2 INDOLE-3-METHYL ACETATE HMDB29738 27.3 0.5 189.0789786 190.0868036 C'9H8N 130.0656708 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3813 1 [M+H] GMKMEZVLHJARHF-WHFBIAKZSA-N C'7H14N2O4 DIAMINOPIMELATE HMDB01370 5.5 1 190.0953569 191.1031819 C'6H10NO2 128.07115 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3813 1 [M+H] GMKMEZVLHJARHF-WHFBIAKZSA-N C'7H14N2O4 DIAMINOPIMELATE HMDB01370 5.5 1 190.0953569 191.1031819 C'5H10N 84.08132 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3813 1 [M+H] GMKMEZVLHJARHF-WHFBIAKZSA-N C'7H14N2O4 DIAMINOPIMELATE HMDB01370 5.5 1 190.0953569 191.1031819 C'5H8N 82.0656708 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7943 1 [M+H] XUYPXLNMDZIRQH-LURJTMIESA-N C'7H13NO3S N-ACETYLMETHIONINE HMDB11745 11.6 0.5 191.061614 192.069439 C'5H9O2S 133.0323234 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7943 1 [M+H] XUYPXLNMDZIRQH-LURJTMIESA-N C'7H13NO3S N-ACETYLMETHIONINE HMDB11745 11.6 0.5 191.061614 192.069439 C'4H10NS 104.053392 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 7943 1 [M+H] XUYPXLNMDZIRQH-LURJTMIESA-N C'7H13NO3S N-ACETYLMETHIONINE HMDB11745 11.6 0.5 191.061614 192.069439 C'5H8NO 98.0605858 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 10295 1 [M+H] RYYVLZVUVIJVGH-UHFFFAOYSA-N C'8H10N4O2 CAFFEINE HMDB01847 14.85 0.5 194.0803756 195.0882006 C'6H8N3O 138.0667338 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 10295 1 [M+H] RYYVLZVUVIJVGH-UHFFFAOYSA-N C'8H10N4O2 CAFFEINE HMDB01847 14.85 0.5 194.0803756 195.0882006 C'5H8N3 110.0718188 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 10295 1 [M+H] RYYVLZVUVIJVGH-UHFFFAOYSA-N C'8H10N4O2 CAFFEINE HMDB01847 14.85 0.5 194.0803756 195.0882006 C'3H5N2 69.045271 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 2871 1 [M+H] UFYKDFXCZBTLOO-TXICZTDVSA-N C'6H13NO6 GLUCOSAMINATE 3646-68-2 4.2 1.5 195.074289 196.082114 C'5H10NO3 132.066065 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 2871 1 [M+H] UFYKDFXCZBTLOO-TXICZTDVSA-N C'6H13NO6 GLUCOSAMINATE 3646-68-2 4.2 1.5 195.074289 196.082114 C'5H8NO2 114.0555008 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 2871 1 [M+H] UFYKDFXCZBTLOO-TXICZTDVSA-N C'6H13NO6 GLUCOSAMINATE 3646-68-2 4.2 1.5 195.074289 196.082114 C'3H6NO 72.0449366 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 6379 1 [M+H] RJFAYQIBOAGBLC-BYPYZUCNSA-N C'5H11NO2Se SELENOMETHIONINE HMDB03966 9.15 0.5 196.9955004 198.0033254 C'4H7Se 134.9712932 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 6379 1 [M+H] RJFAYQIBOAGBLC-BYPYZUCNSA-N C'5H11NO2Se SELENOMETHIONINE HMDB03966 9.15 0.5 196.9955004 198.0033254 C'2H5Se 108.955644 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 6379 1 [M+H] RJFAYQIBOAGBLC-BYPYZUCNSA-N C'5H11NO2Se SELENOMETHIONINE HMDB03966 9.15 0.5 196.9955004 198.0033254 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 17312 1 [M+H] CXMXRPHRNRROMY-UHFFFAOYSA-N C'10H18O4 SEBACATE HMDB00792 26.25 0.5 202.12051 203.128335 C'9H15O 139.112284 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 17312 1 [M+H] CXMXRPHRNRROMY-UHFFFAOYSA-N C'10H18O4 SEBACATE HMDB00792 26.25 0.5 202.12051 203.128335 C'9H13 121.1017198 1 QEP1_2021_0823_RJ_116_6gh55prm.raw 17312 1 [M+H] CXMXRPHRNRROMY-UHFFFAOYSA-N C'10H18O4 SEBACATE HMDB00792 26.25 0.5 202.12051 203.128335 C'5H9 69.0704214 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 6654 1 [M+H] YDGMGEXADBMOMJ-LURJTMIESA-N C'8H18N4O2 "N,N-DIMETHYLARGININE" HMDB01539 9.7 0.5 202.142976 203.150801 C'5H10NO2 116.07115 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 6654 1 [M+H] YDGMGEXADBMOMJ-LURJTMIESA-N C'8H18N4O2 "N,N-DIMETHYLARGININE" HMDB01539 9.7 0.5 202.142976 203.150801 C'3H10N3 88.087468 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 6654 1 [M+H] YDGMGEXADBMOMJ-LURJTMIESA-N C'8H18N4O2 "N,N-DIMETHYLARGININE" HMDB01539 9.7 0.5 202.142976 203.150801 C'4H8N 70.0656708 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 13915 1 [M+H] PFNFFQXMRSDOHW-UHFFFAOYSA-N C'10H26N4 SPERMINE HMDB01256 20.7 0.5 202.2157469 203.2235719 C'7H17N2 129.1391662 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 13915 1 [M+H] PFNFFQXMRSDOHW-UHFFFAOYSA-N C'10H26N4 SPERMINE HMDB01256 20.7 0.5 202.2157469 203.2235719 C'7H14N 112.1126184 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 13915 1 [M+H] PFNFFQXMRSDOHW-UHFFFAOYSA-N C'10H26N4 SPERMINE HMDB01256 20.7 0.5 202.2157469 203.2235719 C'5H10N 84.08132 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 18863 1 [M+H] HUDBDWIQSIGUDI-UHFFFAOYSA-N C'12H13NO2 ETHYL 3-INDOLEACETATE 778-82-5 27.9 0.5 203.094629 204.102454 QEP1_2021_0823_RJ_111_6ef55prm.raw 18863 1 [M+H] HUDBDWIQSIGUDI-UHFFFAOYSA-N C'12H13NO2 ETHYL 3-INDOLEACETATE 778-82-5 27.9 0.5 203.094629 204.102454 QEP1_2021_0823_RJ_111_6ef55prm.raw 18863 1 [M+H] HUDBDWIQSIGUDI-UHFFFAOYSA-N C'12H13NO2 ETHYL 3-INDOLEACETATE 778-82-5 27.9 0.5 203.094629 204.102454 C'9H8N 130.0656708 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 12236 1 [M+H] JLSKPBDKNIXMBS-UHFFFAOYSA-N C'11H13N3O L-TRYPTOPHANAMIDE HMDB13318 17.8 0.5 203.1058621 204.1136871 C'10H11N2 159.0922186 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 12236 1 [M+H] JLSKPBDKNIXMBS-UHFFFAOYSA-N C'11H13N3O L-TRYPTOPHANAMIDE HMDB13318 17.8 0.5 203.1058621 204.1136871 C'10H10N 144.08132 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 12236 1 [M+H] JLSKPBDKNIXMBS-UHFFFAOYSA-N C'11H13N3O L-TRYPTOPHANAMIDE HMDB13318 17.8 0.5 203.1058621 204.1136871 C'9H10N 132.08132 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 6760 1 [M+H] RDHQFKQIGNGIED-MRVPVSSYSA-O C'9H17NO4 O-ACETYLCARNITINE HMDB00201 10.1 0.5 203.115758 204.123583 C'7H14NO2 144.1024484 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 6760 1 [M+H] RDHQFKQIGNGIED-MRVPVSSYSA-O C'9H17NO4 O-ACETYLCARNITINE HMDB00201 10.1 0.5 203.115758 204.123583 C'4H5O2 85.028953 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 6760 1 [M+H] RDHQFKQIGNGIED-MRVPVSSYSA-O C'9H17NO4 O-ACETYLCARNITINE HMDB00201 10.1 0.5 203.115758 204.123583 C'3H10N 60.08132 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 12176 1 [M+H] QIVBCDIJIAJPQS-SECBINFHSA-N C'11H12N2O2 TRYPTOPHAN HMDB13609 17.4 0.5 204.0898776 205.0977026 C'9H8NO 146.0605858 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 12176 1 [M+H] QIVBCDIJIAJPQS-SECBINFHSA-N C'11H12N2O2 TRYPTOPHAN HMDB13609 17.4 0.5 204.0898776 205.0977026 C'10H10N 144.08132 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 12176 1 [M+H] QIVBCDIJIAJPQS-SECBINFHSA-N C'11H12N2O2 TRYPTOPHAN HMDB13609 17.4 0.5 204.0898776 205.0977026 C'8H8N 118.0656708 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 16289 1 [M+H] FCCDDURTIIUXBY-UHFFFAOYSA-N C'8H15NOS2 LIPOAMIDE HMDB00962 24 0.5 205.0595055 206.0673305 C'7H13S2 161.0458638 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 16289 1 [M+H] FCCDDURTIIUXBY-UHFFFAOYSA-N C'8H15NOS2 LIPOAMIDE HMDB00962 24 0.5 205.0595055 206.0673305 C'7H11S 127.0581426 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 16289 1 [M+H] FCCDDURTIIUXBY-UHFFFAOYSA-N C'8H15NOS2 LIPOAMIDE HMDB00962 24 0.5 205.0595055 206.0673305 C'5H9S 101.0424934 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 12441 1 [M+H] CBQJSKKFNMDLON-JTQLQIEISA-N C'11H13NO3 N-ACETYLPHENYLALANINE HMDB00512 18.1 0.5 207.0895433 208.0973683 QEP1_2021_0823_RJ_86_5cd55prm.raw 12441 1 [M+H] CBQJSKKFNMDLON-JTQLQIEISA-N C'11H13NO3 N-ACETYLPHENYLALANINE HMDB00512 18.1 0.5 207.0895433 208.0973683 C'8H10N 120.08132 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 12441 1 [M+H] CBQJSKKFNMDLON-JTQLQIEISA-N C'11H13NO3 N-ACETYLPHENYLALANINE HMDB00512 18.1 0.5 207.0895433 208.0973683 C'8H7 103.0547722 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 9316 1 [M+H] YGPSJZOEDVAXAB-UHFFFAOYSA-N C'10H12N2O3 KYNURENINE HMDB00684 13.57 0.5 208.0847923 209.0926173 C'9NOH8 146.0605858 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 9316 1 [M+H] YGPSJZOEDVAXAB-UHFFFAOYSA-N C'10H12N2O3 KYNURENINE HMDB00684 13.57 0.5 208.0847923 209.0926173 C'8H8N 118.0656708 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 9316 1 [M+H] YGPSJZOEDVAXAB-UHFFFAOYSA-N C'10H12N2O3 KYNURENINE HMDB00684 13.57 0.5 208.0847923 209.0926173 C'6NH8 94.0656708 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 8282 1 [M+H] PFDUUKDQEHURQC-UHFFFAOYSA-N C'10H13NO4 3-METHOXYTYROSINE HMDB01434 12.2 0.5 211.0844579 212.0922829 C'9H12NO2 166.0867992 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 8282 1 [M+H] PFDUUKDQEHURQC-UHFFFAOYSA-N C'10H13NO4 3-METHOXYTYROSINE HMDB01434 12.2 0.5 211.0844579 212.0922829 C'8H9O3 153.0551664 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 8282 1 [M+H] PFDUUKDQEHURQC-UHFFFAOYSA-N C'10H13NO4 3-METHOXYTYROSINE HMDB01434 12.2 0.5 211.0844579 212.0922829 C'9H9O2 149.0602514 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 12682 1 [M+H] AUTOLBMXDDTRRT-JGVFFNPUSA-N C'10H18N2O3 DETHIOBIOTIN HMDB03581 18.6 0.5 214.1317425 215.1395675 C'10H15N2O 179.118432 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 12682 1 [M+H] AUTOLBMXDDTRRT-JGVFFNPUSA-N C'10H18N2O3 DETHIOBIOTIN HMDB03581 18.6 0.5 214.1317425 215.1395675 C'9H14N 136.1126184 1 QEP1_2021_0823_RJ_101_6ab55prm.raw 12682 1 [M+H] AUTOLBMXDDTRRT-JGVFFNPUSA-N C'10H18N2O3 DETHIOBIOTIN HMDB03581 18.6 0.5 214.1317425 215.1395675 C'8H13 109.1017198 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 5717 1 [M+H] GNISQJGXJIDKDJ-YFKPBYRVSA-N C'8H13NO6 O-SUCCINYL-HOMOSERINE 8.2 1 219.0742872 220.0821122 C'4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 5717 1 [M+H] GNISQJGXJIDKDJ-YFKPBYRVSA-N C'8H13NO6 O-SUCCINYL-HOMOSERINE 8.2 1 219.0742872 220.0821122 C'3H8NO 74.0605858 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 5717 1 [M+H] GNISQJGXJIDKDJ-YFKPBYRVSA-N C'8H13NO6 O-SUCCINYL-HOMOSERINE 8.2 1 219.0742872 220.0821122 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 6853 1 [M+H] GHOKWGTUZJEAQD-ZETCQYMHSA-N C'9H17NO5 PANTOTHENATE HMDB00210 10 0.5 219.1106727 220.1184977 C'7H10NO 124.076235 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 6853 1 [M+H] GHOKWGTUZJEAQD-ZETCQYMHSA-N C'9H17NO5 PANTOTHENATE HMDB00210 10 0.5 219.1106727 220.1184977 C'4H4NO2 98.0242024 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 6853 1 [M+H] GHOKWGTUZJEAQD-ZETCQYMHSA-N C'9H17NO5 PANTOTHENATE HMDB00210 10 0.5 219.1106727 220.1184977 C'3H8NO2 90.0555008 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 2811 1 [M+H] OVRNDRQMDRJTHS-RTRLPJTCSA-N C'8H15NO6 "N-ACETYLGLUCOSAMINE,N-ACETYLMANNOSAMINE,N-ACETYLGALACTOSAMINE" HMDB00215 4.1 2 221.0899372 222.0977622 C'6H10NO3 144.066065 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 2811 1 [M+H] OVRNDRQMDRJTHS-RTRLPJTCSA-N C'8H15NO6 "N-ACETYLGLUCOSAMINE,N-ACETYLMANNOSAMINE,N-ACETYLGALACTOSAMINE" HMDB00215 4.1 2 221.0899372 222.0977622 C'7O2NH8 138.0555008 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 2811 1 [M+H] OVRNDRQMDRJTHS-RTRLPJTCSA-N C'8H15NO6 "N-ACETYLGLUCOSAMINE,N-ACETYLMANNOSAMINE,N-ACETYLGALACTOSAMINE" HMDB00215 4.1 2 221.0899372 222.0977622 C'6NO2H8 126.0555008 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3638 1 [M+H] ILRYLPWNYFXEMH-WHFBIAKZSA-N C'7H14N2O4S CYSTATHIONINE HMDB00099 5.4 0.5 222.0674276 223.0752526 C'4H8NO2S 134.0275728 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3638 1 [M+H] ILRYLPWNYFXEMH-WHFBIAKZSA-N C'7H14N2O4S CYSTATHIONINE HMDB00099 5.4 0.5 222.0674276 223.0752526 C'3H6NS 88.0220936 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3638 1 [M+H] ILRYLPWNYFXEMH-WHFBIAKZSA-N C'7H14N2O4S CYSTATHIONINE HMDB00099 5.4 0.5 222.0674276 223.0752526 C'3H6N 56.0500216 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 9503 1 [M+H] FBTSQILOGYXGMD-LURJTMIESA-N C'9H10N2O5 3-NITRO-L-TYROSINE HMDB0001904 14.1 0.5 226.058972 227.066797 C'8H9N2O3 181.0613144 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 9503 1 [M+H] FBTSQILOGYXGMD-LURJTMIESA-N C'9H10N2O5 3-NITRO-L-TYROSINE HMDB0001904 14.1 0.5 226.058972 227.066797 C'7H6NO4 168.0296816 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 9503 1 [M+H] FBTSQILOGYXGMD-LURJTMIESA-N C'9H10N2O5 3-NITRO-L-TYROSINE HMDB0001904 14.1 0.5 226.058972 227.066797 C'7H5N2 117.045271 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6298 1 [M+H] CQOVPNPJLQNMDC-ZETCQYMHSA-N C'9H14N4O3 CARNOSINE HMDB00033 9.02 0.5 226.1065903 227.1144153 C'6H10N3O2 156.077298 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6298 1 [M+H] CQOVPNPJLQNMDC-ZETCQYMHSA-N C'9H14N4O3 CARNOSINE HMDB00033 9.02 0.5 226.1065903 227.1144153 C'6H8N3 122.0718188 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6298 1 [M+H] CQOVPNPJLQNMDC-ZETCQYMHSA-N C'9H14N4O3 CARNOSINE HMDB00033 9.02 0.5 226.1065903 227.1144153 C'5H8N3 110.0718188 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 7238 1 [M+H] CKTSBUTUHBMZGZ-SHYZEUOFSA-N C'9H13N3O4 DEOXYCYTIDINE HMDB00014 10.3 0.5 227.0906059 228.0984309 QEP1_2021_0823_RJ_21_2ab55prm.raw 7238 1 [M+H] CKTSBUTUHBMZGZ-SHYZEUOFSA-N C'9H13N3O4 DEOXYCYTIDINE HMDB00014 10.3 0.5 227.0906059 228.0984309 C'4H6N3O 112.0510846 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 7238 1 [M+H] CKTSBUTUHBMZGZ-SHYZEUOFSA-N C'9H13N3O4 DEOXYCYTIDINE HMDB00014 10.3 0.5 227.0906059 228.0984309 C'4H3N2O 95.0245368 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 5677 1 [M+H] MXHRCPNRJAMMIM-SHYZEUOFSA-N C'9H12N2O5 DEOXYURIDINE HMDB00012 8.14 1 228.0746215 229.0824465 QEP1_2021_0823_RJ_26_2cd55prm.raw 5677 1 [M+H] MXHRCPNRJAMMIM-SHYZEUOFSA-N C'9H12N2O5 DEOXYURIDINE HMDB00012 8.14 1 228.0746215 229.0824465 C'4H5N2O2 113.035101 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 5677 1 [M+H] MXHRCPNRJAMMIM-SHYZEUOFSA-N C'9H12N2O5 DEOXYURIDINE HMDB00012 8.14 1 228.0746215 229.0824465 C'5H7O2 99.0446022 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 15215 1 [M+H] DRLFMBDRBRZALE-UHFFFAOYSA-N C'13H16N2O2 MELATONIN HMDB01389 22.25 0.5 232.1211778 233.1290028 C'11H12NO 174.0918842 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 15215 1 [M+H] DRLFMBDRBRZALE-UHFFFAOYSA-N C'13H16N2O2 MELATONIN HMDB01389 22.25 0.5 232.1211778 233.1290028 C'10H9NO 159.0684104 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 15215 1 [M+H] DRLFMBDRBRZALE-UHFFFAOYSA-N C'13H16N2O2 MELATONIN HMDB01389 22.25 0.5 232.1211778 233.1290028 C'10H9N 143.0734954 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3230 1 [M+H] LEVWYRKDKASIDU-IMJSIDKUSA-N C'6H12N2O4S2 CYSTINE HMDB00192 4.7 2 240.0238483 241.0316733 C'3H6NO2S2 151.9839956 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3230 1 [M+H] LEVWYRKDKASIDU-IMJSIDKUSA-N C'6H12N2O4S2 CYSTINE HMDB00192 4.7 2 240.0238483 241.0316733 C'3H6NO2S 120.0119236 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 3230 1 [M+H] LEVWYRKDKASIDU-IMJSIDKUSA-N C'6H12N2O4S2 CYSTINE HMDB00192 4.7 2 240.0238483 241.0316733 C'2H4NO2 74.0242024 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 6081 1 [M+H] MYYIAHXIVFADCU-QMMMGPOBSA-N C'10H16N4O3 ANSERINE HMDB00194 9 0.5 240.1222404 241.1300654 C'7H12N3O2 170.0929472 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 6081 1 [M+H] MYYIAHXIVFADCU-QMMMGPOBSA-N C'10H16N4O3 ANSERINE HMDB00194 9 0.5 240.1222404 241.1300654 C'6H12N3 126.1031172 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 6081 1 [M+H] MYYIAHXIVFADCU-QMMMGPOBSA-N C'10H16N4O3 ANSERINE HMDB00194 9 0.5 240.1222404 241.1300654 C'6H9N2 109.0765694 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 15655 1 [M+H] ZJTJUVIJVLLGSP-UHFFFAOYSA-N C'12H10N4O2 LUMICHROME 1086-80-2 22.8 1 242.080376 243.088201 C'11H10N3O2 216.077298 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 15655 1 [M+H] ZJTJUVIJVLLGSP-UHFFFAOYSA-N C'12H10N4O2 LUMICHROME 1086-80-2 22.8 1 242.080376 243.088201 C'11H8N3O 198.0667338 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 15655 1 [M+H] ZJTJUVIJVLLGSP-UHFFFAOYSA-N C'12H10N4O2 LUMICHROME 1086-80-2 22.8 1 242.080376 243.088201 C'10H10N3 172.087468 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 6949 1 [M+H] IQFYYKKMVGJFEH-XLPZGREQSA-N C'10H14N2O5 THYMIDINE HMDB00273 10 0.5 242.0902716 243.0980966 C'5N2O2H7 127.0507502 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 6949 1 [M+H] IQFYYKKMVGJFEH-XLPZGREQSA-N C'10H14N2O5 THYMIDINE HMDB00273 10 0.5 242.0902716 243.0980966 C'5NO2H4 110.0242024 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 6949 1 [M+H] IQFYYKKMVGJFEH-XLPZGREQSA-N C'10H14N2O5 THYMIDINE HMDB00273 10 0.5 242.0902716 243.0980966 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 6493 1 [M+H] UHDGCWIWMRVCDJ-XVFCMESISA-N C'9H13N3O5 CYTIDINE HMDB00089 9.46 0.5 243.0855205 244.0933455 C'4N3OH6 112.0510846 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 6493 1 [M+H] UHDGCWIWMRVCDJ-XVFCMESISA-N C'9H13N3O5 CYTIDINE HMDB00089 9.46 0.5 243.0855205 244.0933455 C'4N2OH3 95.0245368 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 6493 1 [M+H] UHDGCWIWMRVCDJ-XVFCMESISA-N C'9H13N3O5 CYTIDINE HMDB00089 9.46 0.5 243.0855205 244.0933455 C'3H5N2 69.045271 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4551 1 [M+H] DRTQHJPVMGBUCF-XVFCMESISA-N C'9H12N2O6 URIDINE HMDB00296 6.5 2 244.0695361 245.0773611 C'4H5N2O2 113.035101 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4551 1 [M+H] DRTQHJPVMGBUCF-XVFCMESISA-N C'9H12N2O6 URIDINE HMDB00296 6.5 2 244.0695361 245.0773611 C'4H2NO2 96.0085532 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4551 1 [M+H] DRTQHJPVMGBUCF-XVFCMESISA-N C'9H12N2O6 URIDINE HMDB00296 6.5 2 244.0695361 245.0773611 C'3H4NO 70.0292874 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 11124 1 [M+H] YBJHBAHKTGYVGT-ZKWXMUAHSA-N C'10H16N2O3S BIOTIN HMDB00030 16.5 0.5 244.0881631 245.0959881 C'10H13N2OS 209.0748548 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 11124 1 [M+H] YBJHBAHKTGYVGT-ZKWXMUAHSA-N C'10H16N2O3S BIOTIN HMDB00030 16.5 0.5 244.0881631 245.0959881 C'9H12NS 166.0690412 1 QEP1_2021_0823_RJ_111_6ef55prm.raw 11124 1 [M+H] YBJHBAHKTGYVGT-ZKWXMUAHSA-N C'10H16N2O3S BIOTIN HMDB00030 16.5 0.5 244.0881631 245.0959881 C'4H5N2O 97.040186 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 12060 1 [M+H] GUNURVWAJRRUAV-UHFFFAOYSA-N C'12H28N4O N1-ACETYLSPERMINE HMDB01186 17.8 0.5 244.2263115 245.2341365 C'7H14N 112.1126184 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 12060 1 [M+H] GUNURVWAJRRUAV-UHFFFAOYSA-N C'12H28N4O N1-ACETYLSPERMINE HMDB01186 17.8 0.5 244.2263115 245.2341365 C'5H10NO 100.076235 1 QEP1_2021_0823_RJ_66_4cd55prm.raw 12060 1 [M+H] GUNURVWAJRRUAV-UHFFFAOYSA-N C'12H28N4O N1-ACETYLSPERMINE HMDB01186 17.8 0.5 244.2263115 245.2341365 C'5H10N 84.08132 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 14244 1 [M+H] DZTHIGRZJZPRDV-UHFFFAOYSA-N C'13H14N2O3 N-ACETYLTRYPTOPHAN 87-32-1 10.72 0.5 246.1004423 247.1082673 C'11H10NO2 188.07115 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 14244 1 [M+H] DZTHIGRZJZPRDV-UHFFFAOYSA-N C'13H14N2O3 N-ACETYLTRYPTOPHAN 87-32-1 10.72 0.5 246.1004423 247.1082673 C'10H11N2 159.0922186 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 14244 1 [M+H] DZTHIGRZJZPRDV-UHFFFAOYSA-N C'13H14N2O3 N-ACETYLTRYPTOPHAN 87-32-1 10.72 0.5 246.1004423 247.1082673 C'9H8NO 146.0605858 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 8861 1 [M+H] QNGIKJLVQNCRRC-UHFFFAOYSA-N C'4H12N2Se2 SELENOCYSTAMINE 3542-13-0 12.9 0.5 247.93309 248.940915 C'2H6NSe2 203.8830636 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 8861 1 [M+H] QNGIKJLVQNCRRC-UHFFFAOYSA-N C'4H12N2Se2 SELENOCYSTAMINE 3542-13-0 12.9 0.5 247.93309 248.940915 C'2H3Se2 186.8565158 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 8861 1 [M+H] QNGIKJLVQNCRRC-UHFFFAOYSA-N C'4H12N2Se2 SELENOCYSTAMINE 3542-13-0 12.9 0.5 247.93309 248.940915 C'2H4NSe 121.9508934 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 8969 1 [M+H] XGYIMTFOTBMPFP-KQYNXXCUSA-N C'10H13N5O3 5'-DEOXYADENOSINE HMDB01983 13.3 0.5 251.1018393 252.1096643 C'5H6N5 136.0623176 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 8969 1 [M+H] XGYIMTFOTBMPFP-KQYNXXCUSA-N C'10H13N5O3 5'-DEOXYADENOSINE HMDB01983 13.3 0.5 251.1018393 252.1096643 C'5H3N4 119.0357698 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 8969 1 [M+H] XGYIMTFOTBMPFP-KQYNXXCUSA-N C'10H13N5O3 5'-DEOXYADENOSINE HMDB01983 13.3 0.5 251.1018393 252.1096643 C'3H5O2 73.028953 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7955 1 [M+H] OLXZPDWKRNYJJZ-RRKCRQDMSA-N C'10H13N5O3 DEOXYADENOSINE HMDB00101 11.7 0.5 251.1018393 252.1096643 QEP1_2021_0823_RJ_61_4ab55prm.raw 7955 1 [M+H] OLXZPDWKRNYJJZ-RRKCRQDMSA-N C'10H13N5O3 DEOXYADENOSINE HMDB00101 11.7 0.5 251.1018393 252.1096643 C'5H6N5 136.0623176 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7955 1 [M+H] OLXZPDWKRNYJJZ-RRKCRQDMSA-N C'10H13N5O3 DEOXYADENOSINE HMDB00101 11.7 0.5 251.1018393 252.1096643 C'5H7O2 99.0446022 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2647 1 [M+H] MTDHILKWIRSIHB-QZABAPFNSA-N C'6H13NO8S GLUCOSAMINE 6-SULFATE HMDB00592 3.9 2 259.0361871 260.0440121 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2647 1 [M+H] MTDHILKWIRSIHB-QZABAPFNSA-N C'6H13NO8S GLUCOSAMINE 6-SULFATE HMDB00592 3.9 2 259.0361871 260.0440121 C'3H6NO 72.0449366 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 2647 1 [M+H] MTDHILKWIRSIHB-QZABAPFNSA-N C'6H13NO8S GLUCOSAMINE 6-SULFATE HMDB00592 3.9 2 259.0361871 260.0440121 C'2H6NO 60.0449366 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3211 1 [M+H] XHMJOUIAFHJHBW-UKFBFLRUSA-N C'6H14NO8P GLUCOSAMINE 6-PHOSPHATE HMDB01254 4.3 2 259.0457029 260.0535279 C'6H8NO2 126.0555008 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3211 1 [M+H] XHMJOUIAFHJHBW-UKFBFLRUSA-N C'6H14NO8P GLUCOSAMINE 6-PHOSPHATE HMDB01254 4.3 2 259.0457029 260.0535279 C'5H8NO 98.0605858 1 QEP1_2021_0823_RJ_21_2ab55prm.raw 3211 1 [M+H] XHMJOUIAFHJHBW-UKFBFLRUSA-N C'6H14NO8P GLUCOSAMINE 6-PHOSPHATE HMDB01254 4.3 2 259.0457029 260.0535279 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 9360 1 [M+] JZRWCGZRTZMZEH-UHFFFAOYSA-N C'12H17N4OS THIAMINE HMDB00235 14 0.5 265.1123069 265.1123069 C'6H10NOS 144.048307 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 9360 1 [M+] JZRWCGZRTZMZEH-UHFFFAOYSA-N C'12H17N4OS THIAMINE HMDB00235 14 0.5 265.1123069 265.1123069 C'6H8N3 122.0718188 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 9360 1 [M+] JZRWCGZRTZMZEH-UHFFFAOYSA-N C'12H17N4OS THIAMINE HMDB00235 14 0.5 265.1123069 265.1123069 C'4H5N2 81.045271 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7556 1 [M+H] OIRDTQYFTABQOQ-KQYNXXCUSA-N C'10H13N5O4 ADENOSINE HMDB00050 11.1 0.5 267.0967539 268.1045789 QEP1_2021_0823_RJ_61_4ab55prm.raw 7556 1 [M+H] OIRDTQYFTABQOQ-KQYNXXCUSA-N C'10H13N5O4 ADENOSINE HMDB00050 11.1 0.5 267.0967539 268.1045789 C'5H6N5 136.0623176 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 7556 1 [M+H] OIRDTQYFTABQOQ-KQYNXXCUSA-N C'10H13N5O4 ADENOSINE HMDB00050 11.1 0.5 267.0967539 268.1045789 C'5H3N4 119.0357698 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 7047 1 [M+H] YKBGVTZYEHREMT-KVQBGUIXSA-N C'10H13N5O4 DEOXYGUANOSINE HMDB00124 10.4 0.5 267.0967539 268.1045789 C'5H6N5O 152.0572326 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 7047 1 [M+H] YKBGVTZYEHREMT-KVQBGUIXSA-N C'10H13N5O4 DEOXYGUANOSINE HMDB00124 10.4 0.5 267.0967539 268.1045789 C'5H3N4O 135.0306848 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 7047 1 [M+H] YKBGVTZYEHREMT-KVQBGUIXSA-N C'10H13N5O4 DEOXYGUANOSINE HMDB00124 10.4 0.5 267.0967539 268.1045789 C'4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 5746 1 [M+H] ZTVZLYBCZNMWCF-UHFFFAOYSA-N C'8H16N2O4S2 HOMOCYSTINE HMDB00575 8.5 0.5 268.0551484 269.0629734 C'4H8NO2S 134.0275728 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 5746 1 [M+H] ZTVZLYBCZNMWCF-UHFFFAOYSA-N C'8H16N2O4S2 HOMOCYSTINE HMDB00575 8.5 0.5 268.0551484 269.0629734 C'3H8NS 90.0377428 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 5746 1 [M+H] ZTVZLYBCZNMWCF-UHFFFAOYSA-N C'8H16N2O4S2 HOMOCYSTINE HMDB00575 8.5 0.5 268.0551484 269.0629734 C'3H6NS 88.0220936 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 6170 1 [M+H] UGQMRVRMYYASKQ-KQYNXXCUSA-N C'10H12N4O5 INOSINE HMDB00195 9 0.5 268.0807695 269.0885945 QEP1_2021_0823_RJ_06_1ab55prm.raw 6170 1 [M+H] UGQMRVRMYYASKQ-KQYNXXCUSA-N C'10H12N4O5 INOSINE HMDB00195 9 0.5 268.0807695 269.0885945 C'5N4OH5 137.046334 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 6170 1 [M+H] UGQMRVRMYYASKQ-KQYNXXCUSA-N C'10H12N4O5 INOSINE HMDB00195 9 0.5 268.0807695 269.0885945 C'4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 8842 1 [M+H] NXJAXUYOQLTISD-SECBINFHSA-O C'12H21NO6 GLUTARYLCARNITINE HMDB13130 13 0.5 275.136889 276.144714 C'5H7O3 115.0395172 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 8842 1 [M+H] NXJAXUYOQLTISD-SECBINFHSA-O C'12H21NO6 GLUTARYLCARNITINE HMDB13130 13 0.5 275.136889 276.144714 C'4H7O2 87.0446022 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 8842 1 [M+H] NXJAXUYOQLTISD-SECBINFHSA-O C'12H21NO6 GLUTARYLCARNITINE HMDB13130 13 0.5 275.136889 276.144714 C'4H5O2 85.028953 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 8658 1 [M+H] GFYLSDSUCHVORB-IOSLPCCCSA-N C'11H15N5O4 1-METHYLADENOSINE HMDB03331 12.5 0.5 281.112404 282.120229 C'6H8N5 150.0779668 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 8658 1 [M+H] GFYLSDSUCHVORB-IOSLPCCCSA-N C'11H15N5O4 1-METHYLADENOSINE HMDB03331 12.5 0.5 281.112404 282.120229 C'6H5N4 133.051419 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 8658 1 [M+H] GFYLSDSUCHVORB-IOSLPCCCSA-N C'11H15N5O4 1-METHYLADENOSINE HMDB03331 12.5 0.5 281.112404 282.120229 C'4H4N3 94.0405204 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6829 1 [M+H] NYHBQMYGNKIUIF-UUOKFMHZSA-N C'10H13N5O5 GUANOSINE HMDB00133 9.81 0.5 283.0916686 284.0994936 C'5H6N5O 152.0572326 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6829 1 [M+H] NYHBQMYGNKIUIF-UUOKFMHZSA-N C'10H13N5O5 GUANOSINE HMDB00133 9.81 0.5 283.0916686 284.0994936 C'5H3N4O 135.0306848 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 6829 1 [M+H] NYHBQMYGNKIUIF-UUOKFMHZSA-N C'10H13N5O5 GUANOSINE HMDB00133 9.81 0.5 283.0916686 284.0994936 C'4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 6694 1 [M+H] UBORTCNDUKBEOP-UUOKFMHZSA-N C'10H12N4O6 XANTHOSINE HMDB00299 9.9 0.5 284.0756841 285.0835091 C'5H5N4O2 153.041249 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 6694 1 [M+H] UBORTCNDUKBEOP-UUOKFMHZSA-N C'10H12N4O6 XANTHOSINE HMDB00299 9.9 0.5 284.0756841 285.0835091 C'5H2N3O2 136.0147012 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 6694 1 [M+H] UBORTCNDUKBEOP-UUOKFMHZSA-N C'10H12N4O6 XANTHOSINE HMDB00299 9.9 0.5 284.0756841 285.0835091 C'4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 5198 1 [M+H] JCMUOFQHZLPHQP-BQBZGAKWSA-N C'11H19N3O6 OPHTHALMATE HMDB05765 7.8 0.5 289.1273854 290.1352104 C'7H10NO 124.076235 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 5198 1 [M+H] JCMUOFQHZLPHQP-BQBZGAKWSA-N C'11H19N3O6 OPHTHALMATE HMDB05765 7.8 0.5 289.1273854 290.1352104 C'4H6NO 84.0965 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 5198 1 [M+H] JCMUOFQHZLPHQP-BQBZGAKWSA-N C'11H19N3O6 OPHTHALMATE HMDB05765 7.8 0.5 289.1273854 290.1352104 C'3H8NO 74.1 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 11482 1 [M+H] WUUGFSXJNOTRMR-IOSLPCCCSA-N C'11H15N5O3S METHYLTHIOADENOSINE HMDB01173 16.5 0.5 297.0895601 298.0973851 C'5H6N5 136.0623176 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 11482 1 [M+H] WUUGFSXJNOTRMR-IOSLPCCCSA-N C'11H15N5O3S METHYLTHIOADENOSINE HMDB01173 16.5 0.5 297.0895601 298.0973851 C'3H7S 75.0268442 1 QEP1_2021_0823_RJ_11_1cd55prm.raw 11482 1 [M+H] WUUGFSXJNOTRMR-IOSLPCCCSA-N C'11H15N5O3S METHYLTHIOADENOSINE HMDB01173 16.5 0.5 297.0895601 298.0973851 C'2H5S 61.011195 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 2935 1 [M+H] NMPZCCZXCOMSDQ-ZRTZXPPTSA-N C'9H12N3O7P "CYTIDINE 2',3'-CYCLIC PHOSPHATE" HMDB11691 4.5 2 305.0412863 306.0491113 C'8H8N3O2 178.0616488 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 2935 1 [M+H] NMPZCCZXCOMSDQ-ZRTZXPPTSA-N C'9H12N3O7P "CYTIDINE 2',3'-CYCLIC PHOSPHATE" HMDB11691 4.5 2 305.0412863 306.0491113 C'4H6N3O 112.0510846 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 2935 1 [M+H] NMPZCCZXCOMSDQ-ZRTZXPPTSA-N C'9H12N3O7P "CYTIDINE 2',3'-CYCLIC PHOSPHATE" HMDB11691 4.5 2 305.0412863 306.0491113 C'4H3N2O 95.0245368 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4346 1 [M+H] NCMVOABPESMRCP-SHYZEUOFSA-N C'9H14N3O7P DEOXYCYTIDINE MONOPHOSPHATE HMDB01202 6 2 307.0569363 308.0647613 C'4H6N3O 112.0510846 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4346 1 [M+H] NCMVOABPESMRCP-SHYZEUOFSA-N C'9H14N3O7P DEOXYCYTIDINE MONOPHOSPHATE HMDB01202 6 2 307.0569363 308.0647613 C'4H3N2O 95.0245368 1 QEP1_2021_0823_RJ_16_1ef55prm.raw 4346 1 [M+H] NCMVOABPESMRCP-SHYZEUOFSA-N C'9H14N3O7P DEOXYCYTIDINE MONOPHOSPHATE HMDB01202 6 2 307.0569363 308.0647613 C'5H5O 81.034038 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 4957 1 [M+H] GYOZYWVXFNDGLU-XLPZGREQSA-N C'10H15N2O8P THYMIDINE-MONOPHOSPHATE HMDB01227 7.5 2 322.056602 323.064427 QEP1_2021_0823_RJ_61_4ab55prm.raw 4957 1 [M+H] GYOZYWVXFNDGLU-XLPZGREQSA-N C'10H15N2O8P THYMIDINE-MONOPHOSPHATE HMDB01227 7.5 2 322.056602 323.064427 C'5H7N2O2 127.0507502 1 QEP1_2021_0823_RJ_61_4ab55prm.raw 4957 1 [M+H] GYOZYWVXFNDGLU-XLPZGREQSA-N C'10H15N2O8P THYMIDINE-MONOPHOSPHATE HMDB01227 7.5 2 322.056602 323.064427 C'5H5O 81.034038 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3674 1 [M+H] IERHLVCPSMICTF-XVFCMESISA-N C'9H14N3O8P CYTIDINE MONOPHOSPHATE HMDB00095 5.4 2 323.051851 324.059676 C'4H6N3O 112.0510846 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3674 1 [M+H] IERHLVCPSMICTF-XVFCMESISA-N C'9H14N3O8P CYTIDINE MONOPHOSPHATE HMDB00095 5.4 2 323.051851 324.059676 C'5H5O2 97.028953 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 3674 1 [M+H] IERHLVCPSMICTF-XVFCMESISA-N C'9H14N3O8P CYTIDINE MONOPHOSPHATE HMDB00095 5.4 2 323.051851 324.059676 C'4H3N2O 95.0245368 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 4296 1 [M+H] KMYWVDDIPVNLME-UHFFFAOYSA-N C'10H12N5O6P "ADENOSINE 2',3'-CYCLIC PHOSPHATE" HMDB11616 6.4 2 329.0525197 330.0603447 C'5H6N5 136.0623176 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 4296 1 [M+H] KMYWVDDIPVNLME-UHFFFAOYSA-N C'10H12N5O6P "ADENOSINE 2',3'-CYCLIC PHOSPHATE" HMDB11616 6.4 2 329.0525197 330.0603447 H4O4P 98.9847214 1 QEP1_2021_0823_RJ_41_3ab55prm.raw 4296 1 [M+H] KMYWVDDIPVNLME-UHFFFAOYSA-N C'10H12N5O6P "ADENOSINE 2',3'-CYCLIC PHOSPHATE" HMDB11616 6.4 2 329.0525197 330.0603447 C'4H5O 69.034038 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 6021 1 [M+H] IVOMOUWHDPKRLL-KQYNXXCUSA-N C'10H12N5O6P CYCLIC AMP HMDB00058 8.9 0.5 329.0525197 330.0603447 C'5H6N5 136.0623176 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 6021 1 [M+H] IVOMOUWHDPKRLL-KQYNXXCUSA-N C'10H12N5O6P CYCLIC AMP HMDB00058 8.9 0.5 329.0525197 330.0603447 C'5H5O2 97.028953 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 6021 1 [M+H] IVOMOUWHDPKRLL-KQYNXXCUSA-N C'10H12N5O6P CYCLIC AMP HMDB00058 8.9 0.5 329.0525197 330.0603447 C'4H5O 69.034038 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3697 1 [M+H] DAYLJWODMCOQEW-TURQNECASA-O C'11H15N2O8P NICOTINAMIDE MONONUCLEOTIDE HMDB00229 5.5 2 334.056602 335.064427 C'6N2OH7 123.0558352 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3697 1 [M+H] DAYLJWODMCOQEW-TURQNECASA-O C'11H15N2O8P NICOTINAMIDE MONONUCLEOTIDE HMDB00229 5.5 2 334.056602 335.064427 C'5H5O2 97.028953 1 QEP1_2021_0823_RJ_06_1ab55prm.raw 3697 1 [M+H] DAYLJWODMCOQEW-TURQNECASA-O C'11H15N2O8P NICOTINAMIDE MONONUCLEOTIDE HMDB00229 5.5 2 334.056602 335.064427 C'5H6N 80.0500216 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 19210 1 [M+H] FUJLYHJROOYKRA-QGZVFWFLSA-O C'19H37NO4 LAUROYLCARNITINE HMDB02250 28.55 0.5 343.2722587 344.2800837 C'7H14NO2 144.1024484 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 19210 1 [M+H] FUJLYHJROOYKRA-QGZVFWFLSA-O C'19H37NO4 LAUROYLCARNITINE HMDB02250 28.55 0.5 343.2722587 344.2800837 C'4H5O2 85.028953 1 QEP1_2021_0823_RJ_46_3cd55prm.raw 19210 1 [M+H] FUJLYHJROOYKRA-QGZVFWFLSA-O C'19H37NO4 LAUROYLCARNITINE HMDB02250 28.55 0.5 343.2722587 344.2800837 C'3H10N 60.08132 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 5211 1 [M+H] HZSAJDVWZRBGIF-UHFFFAOYSA-O C'12H17N4O4PS THIAMINE MONOPHOSPHATE HMDB02666 7.8 1 344.0708123 345.0786373 C'6H8NS 126.0377428 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 5211 1 [M+H] HZSAJDVWZRBGIF-UHFFFAOYSA-O C'12H17N4O4PS THIAMINE MONOPHOSPHATE HMDB02666 7.8 1 344.0708123 345.0786373 C'6H8N3 122.0718188 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 5211 1 [M+H] HZSAJDVWZRBGIF-UHFFFAOYSA-O C'12H17N4O4PS THIAMINE MONOPHOSPHATE HMDB02666 7.8 1 344.0708123 345.0786373 C'4H5N2 81.045271 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 5203 1 [M+H] ZOOGRGPOEVQQDX-UUOKFMHZSA-N C'10H12N5O7P CYCLIC GMP HMDB01314 7.4 1 345.0474343 346.0552593 C'5H6N5O 152.0572326 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 5203 1 [M+H] ZOOGRGPOEVQQDX-UUOKFMHZSA-N C'10H12N5O7P CYCLIC GMP HMDB01314 7.4 1 345.0474343 346.0552593 C'5H3N4O 135.0306848 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 5203 1 [M+H] ZOOGRGPOEVQQDX-UUOKFMHZSA-N C'10H12N5O7P CYCLIC GMP HMDB01314 7.4 1 345.0474343 346.0552593 C'4H4N3O 110.0354354 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 5440 1 [M+H] UDMBCSSLTHHNCD-KQYNXXCUSA-N C'10H14N5O7P ADENOSINE-MONOPHOSPHATE HMDB00045 8.3 2 347.0630843 348.0709093 QEP1_2021_0823_RJ_26_2cd55prm.raw 5440 1 [M+H] UDMBCSSLTHHNCD-KQYNXXCUSA-N C'10H14N5O7P ADENOSINE-MONOPHOSPHATE HMDB00045 8.3 2 347.0630843 348.0709093 C'5H6N5 136.0623176 1 QEP1_2021_0823_RJ_26_2cd55prm.raw 5440 1 [M+H] UDMBCSSLTHHNCD-KQYNXXCUSA-N C'10H14N5O7P ADENOSINE-MONOPHOSPHATE HMDB00045 8.3 2 347.0630843 348.0709093 C'5H5O2 97.028953 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 8079 1 [M+H] XNSAINXGIQZQOO-SRVKXCTJSA-N C'16H22N6O4 THYROTROPIN RELEASING HORMONE HMDB60080 11.9 0.5 362.170254 363.178079 C'10H13N4O2 221.1038458 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 8079 1 [M+H] XNSAINXGIQZQOO-SRVKXCTJSA-N C'16H22N6O4 THYROTROPIN RELEASING HORMONE HMDB60080 11.9 0.5 362.170254 363.178079 C'9H10N3O 176.082383 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 8079 1 [M+H] XNSAINXGIQZQOO-SRVKXCTJSA-N C'16H22N6O4 THYROTROPIN RELEASING HORMONE HMDB60080 11.9 0.5 362.170254 363.178079 C'5H8N3 110.0718188 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 18144 1 [M+H] JYGXADMDTFJGBT-VWUMJDOOSA-N C'21H30O5 CORTISOL HMDB00063 26.54 0.5 362.2093241 363.2171491 C'8H9O 121.0653364 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 18144 1 [M+H] JYGXADMDTFJGBT-VWUMJDOOSA-N C'21H30O5 CORTISOL HMDB00063 26.54 0.5 362.2093241 363.2171491 C'8H9 105.0704214 1 QEP1_2021_0823_RJ_81_5ab55prm.raw 18144 1 [M+H] JYGXADMDTFJGBT-VWUMJDOOSA-N C'21H30O5 CORTISOL HMDB00063 26.54 0.5 362.2093241 363.2171491 C'6H9O 97.0653364 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 11645 1 [M+H] AUNGANRZJHBGPY-SCRDCRAPSA-N C'17H20N4O6 RIBOFLAVIN HMDB00244 17.3 1 376.1382844 377.1461094 C'12H11N4O2 243.0881966 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 11645 1 [M+H] AUNGANRZJHBGPY-SCRDCRAPSA-N C'17H20N4O6 RIBOFLAVIN HMDB00244 17.3 1 376.1382844 377.1461094 C'11H10N3O2 216.077298 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 11645 1 [M+H] AUNGANRZJHBGPY-SCRDCRAPSA-N C'17H20N4O6 RIBOFLAVIN HMDB00244 17.3 1 376.1382844 377.1461094 C'10H10N3 172.087468 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 8669 1 [M+H] ZJUKTBDSGOFHSH-WFMPWKQPSA-N C'14H20N6O5S S-ADENOSYLHOMOCYSTEINE HMDB00939 12.7 0.5 384.1215885 385.1294135 C'5H6N5 136.0623176 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 8669 1 [M+H] ZJUKTBDSGOFHSH-WFMPWKQPSA-N C'14H20N6O5S S-ADENOSYLHOMOCYSTEINE HMDB00939 12.7 0.5 384.1215885 385.1294135 C'4H8NO2S 134.0275728 1 QEP1_2021_0823_RJ_51_3ef55prm.raw 8669 1 [M+H] ZJUKTBDSGOFHSH-WFMPWKQPSA-N C'14H20N6O5S S-ADENOSYLHOMOCYSTEINE HMDB00939 12.7 0.5 384.1215885 385.1294135 C'3H6NS 88.0220936 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 17662 1 [M+H] HXJDWCWJDCOHDG-RYUDHWBXSA-N C'16H29N3O6S S-HEXYL-GLUTATHIONE 24425-56-7 26.2 0.5 391.177709 392.185534 C'8H18NS 160.1159888 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 17662 1 [M+H] HXJDWCWJDCOHDG-RYUDHWBXSA-N C'16H29N3O6S S-HEXYL-GLUTATHIONE 24425-56-7 26.2 0.5 391.177709 392.185534 C'4H6NOS 116.0170086 1 QEP1_2021_0823_RJ_56_3gh55prm.raw 17662 1 [M+H] HXJDWCWJDCOHDG-RYUDHWBXSA-N C'16H29N3O6S S-HEXYL-GLUTATHIONE 24425-56-7 26.2 0.5 391.177709 392.185534 C'4H6NO 84.0449366 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 7744 1 [M+H] MEFKEPWMEQBLKI-AIRLBKTGSA-O C'15H22N6O5S S-ADENOSYLMETHIONINE HMDB01185 11.7 0.5 398.13724 399.145065 C'5H6N5 136.0623176 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 7744 1 [M+H] MEFKEPWMEQBLKI-AIRLBKTGSA-O C'15H22N6O5S S-ADENOSYLMETHIONINE HMDB01185 11.7 0.5 398.13724 399.145065 C'4H8NO2 102.0555008 1 QEP1_2021_0823_RJ_36_2gh55prm.raw 7744 1 [M+H] MEFKEPWMEQBLKI-AIRLBKTGSA-O C'15H22N6O5S S-ADENOSYLMETHIONINE HMDB01185 11.7 0.5 398.13724 399.145065 C'5H5O2 97.028953 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 18809 1 [M+H] ALEXXDVDDISNDU-JZYPGELDSA-N C'23H32O6 CORTISOL 21-ACETATE 50-03-3 27.73 0.5 404.21989 405.227715 C'11H13 145.1017198 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 18809 1 [M+H] ALEXXDVDDISNDU-JZYPGELDSA-N C'23H32O6 CORTISOL 21-ACETATE 50-03-3 27.73 0.5 404.21989 405.227715 C'8H9O 121.0653364 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 18809 1 [M+H] ALEXXDVDDISNDU-JZYPGELDSA-N C'23H32O6 CORTISOL 21-ACETATE 50-03-3 27.73 0.5 404.21989 405.227715 C'6H9O 97.0653364 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14228 1 [M+H] NYPYHUZRZVSYKL-ZETCQYMHSA-N C'9H9I2NO3 "3,5-DIIODO-L-TYROSINE" HMDB03474 20.7 0.5 432.86718 433.875005 C'8H8I2NO 387.8695398 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14228 1 [M+H] NYPYHUZRZVSYKL-ZETCQYMHSA-N C'9H9I2NO3 "3,5-DIIODO-L-TYROSINE" HMDB03474 20.7 0.5 432.86718 433.875005 C'8H8INO 260.9650628 1 QEP1_2021_0823_RJ_86_5cd55prm.raw 14228 1 [M+H] NYPYHUZRZVSYKL-ZETCQYMHSA-N C'9H9I2NO3 "3,5-DIIODO-L-TYROSINE" HMDB03474 20.7 0.5 432.86718 433.875005 C'6H5IO 219.938515 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3261 1 [M+H] WVIMUEUQJFPNDK-PEBGCTIMSA-N C'11H20N4O11P2 CDP-ETHANOLAMINE HMDB01564 4.87 2 446.0603805 447.0682055 C'2H7NO3P 124.0163542 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3261 1 [M+H] WVIMUEUQJFPNDK-PEBGCTIMSA-N C'11H20N4O11P2 CDP-ETHANOLAMINE HMDB01564 4.87 2 446.0603805 447.0682055 C'4H6N3O 112.0510846 1 QEP1_2021_0823_RJ_71_4ef55prm.raw 3261 1 [M+H] WVIMUEUQJFPNDK-PEBGCTIMSA-N C'11H20N4O11P2 CDP-ETHANOLAMINE HMDB01564 4.87 2 446.0603805 447.0682055 C'5H5O2 97.028953 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 19019 1 [M+H] GHCZAUBVMUEKKP-GYPHWSFCSA-N C'26H43NO5 GLYCOCHENODEOXYCHOLATE HMDB00637 28.02 0.5 449.314124 450.321949 C'10H13 133.1017198 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 19019 1 [M+H] GHCZAUBVMUEKKP-GYPHWSFCSA-N C'26H43NO5 GLYCOCHENODEOXYCHOLATE HMDB00637 28.02 0.5 449.314124 450.321949 C'8H11 107.0860706 1 QEP1_2021_0823_RJ_91_5ef55prm.raw 19019 1 [M+H] GHCZAUBVMUEKKP-GYPHWSFCSA-N C'26H43NO5 GLYCOCHENODEOXYCHOLATE HMDB00637 28.02 0.5 449.314124 450.321949 C'2H6NO2 76.0398516 1 QEP1_2021_1216_RJ_35_mix4.raw 18666 1 [M+H] RFDAIACWWDREDC-FRVQLJSFSA-N C'26H43NO6 GLYCOCHOLATE HMDB00138 27.4 0.5 465.3090381 466.3168631 C'16H17 209.1330182 1 QEP1_2021_1216_RJ_35_mix4.raw 18666 1 [M+H] RFDAIACWWDREDC-FRVQLJSFSA-N C'26H43NO6 GLYCOCHOLATE HMDB00138 27.4 0.5 465.3090381 466.3168631 C'12H13 157.1017198 1 QEP1_2021_1216_RJ_35_mix4.raw 18666 1 [M+H] RFDAIACWWDREDC-FRVQLJSFSA-N C'26H43NO6 GLYCOCHOLATE HMDB00138 27.4 0.5 465.3090381 466.3168631 C'9H11 119.0860706 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3822 1 [M+H] RZZPDXZPRHQOCG-OJAKKHQRSA-O C'14H26N4O11P2 CITICOLINE HMDB01413 5.7 2 488.1073307 489.1151557 C'5H15NO4P 184.073866 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3822 1 [M+H] RZZPDXZPRHQOCG-OJAKKHQRSA-O C'14H26N4O11P2 CITICOLINE HMDB01413 5.7 2 488.1073307 489.1151557 C'2H6O4P 125.0003706 1 QEP1_2021_0823_RJ_31_2ef55prm.raw 3822 1 [M+H] RZZPDXZPRHQOCG-OJAKKHQRSA-O C'14H26N4O11P2 CITICOLINE HMDB01413 5.7 2 488.1073307 489.1151557 C'5H12N 86.0969692 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 17796 1 [M+H] ZHSOTLOTTDYIIK-UHFFFAOYSA-N C'15H13I2NO4 "3,5-DIIODO-L-THYRONINE" HMDB00582 26.82 0.5 524.8933947 525.9012197 C'14H12INO2 352.9912762 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 17796 1 [M+H] ZHSOTLOTTDYIIK-UHFFFAOYSA-N C'15H13I2NO4 "3,5-DIIODO-L-THYRONINE" HMDB00582 26.82 0.5 524.8933947 525.9012197 C'13H10IO2 324.972553 1 QEP1_2021_0823_RJ_76_4gh55prm.raw 17796 1 [M+H] ZHSOTLOTTDYIIK-UHFFFAOYSA-N C'15H13I2NO4 "3,5-DIIODO-L-THYRONINE" HMDB00582 26.82 0.5 524.8933947 525.9012197 C'8H7INO 259.9572382 1