Issue 374: Small molecules: users want to import m/z values, not masses

issues
Status:closed
Assigned To:Guest
Type:Defect
Area:Skyline
Priority:3
Milestone:3.1
Opened:2014-12-02 by Brian Pratt
Changed:2015-06-24 by Brendan MacLean
Resolved:2015-06-24 by Brendan MacLean
Resolution:Fixed
Closed:2015-06-24 by Brendan MacLean
2014-12-02 Brian Pratt
Title»Small molecules: users want to import m/z values, not masses
Assigned To»bspratt
Type»Defect
Area»Skyline
Priority»3
Milestone»3.1
The Insert Transitions dialog was in terms of masses, but users looked right through that and saw mz, resulting in this kind of confusion:
""Insert custom molecule" entry table box asks for precursor and product m/z, but treats the m/z entry as a mass instead and divides by the entered charge when populating the transition list.

Mass limit of 1000 for precursors can conflict with m/z specification (i.e. a precursor of mass 1500 in the +3 charge state cannot be entered without specifying 500 in the precursor m/z column and a charge of 1 in the precursor charge column).

I find that mass is deducted when I specify a monoisotopic mass: a precursor of 500.300 is displayed in the viewer as 500.2989, a transition entered as 656.900 is displayed as 656.89945142009."

2015-06-24 Brendan MacLean
resolve as Fixed
Statusopen»resolved
This has been fixed.

2015-06-24 Brendan MacLean
close
Statusresolved»closed
Assigned Tobspratt»Guest