Issue 977: Need a way to import and display keys other than InChI, SMILES, KEGG etc - e.g. "METLIN ID"

Status:closed
Assigned To:Guest
Type:Defect
Area:Skyline
Priority:3
Milestone: 
Opened:2023-10-30 13:51 by Brian Pratt
Changed:2026-01-06 13:04 by Brendan MacLean
Resolved:2026-01-06 13:04 by Brendan MacLean
Resolution:GitHub Move
Closed:2026-01-06 13:05 by Brendan MacLean
2023-10-30 13:51 Brian Pratt
Title»Need a way to import and display keys other than InChI, SMILES, KEGG etc - e.g. "METLIN ID"
Assigned To»Brian Pratt
Type»Defect
Area»Skyline
Priority»3
Working with some data from METLIN I realized that there's no easy way to retain the METLIN ID (or anything other than our standard SMILES, CAS, KEGG etc) in a Skyline document or IMSDB file. The BLIB format does try for this, and internally it's as simple as adding to the existing scheme we it's <type>:<value> e.g. for caffeine it could be CAS:58-08-2\tKEGG:D00528\tMETLIN:1455

2026-01-06 13:03 Brendan MacLean
resolve as GitHub Move
Statusopen»resolved
Assigned ToBrian Pratt»Brendan MacLean
Skyline issues have moved to GitHub Issues at https://github.com/ProteoWizard/pwiz/issues
Issues will be ported as necessary for active work.

2026-01-06 13:04 Brendan MacLean
close
Statusresolved»closed
Assigned ToBrendan MacLean»Guest