Issue 580: a couple more adduct description syntax variations seen in the wild

issues
Status:closed
Assigned To:Guest
Type:Defect
Area:Skyline
Priority:3
Milestone:4.2
Opened:2018-06-08 by Brian Pratt
Changed:2019-06-10 by Brian Pratt
Resolved:2019-06-10 by Brian Pratt
Resolution:Fixed
Closed:2019-06-10 by Brian Pratt
2018-06-08 Brian Pratt
Title»a couple more adduct description syntax variations seen in the wild
Assigned ToGuest»Brian Pratt
Type»Defect
Area»Skyline
Priority»3
Milestone»4.2
In attending talks at ASMS, a couple surprises in adduct syntax:

[M+2(NH4)]2+ (two NH4 added, for double charge)

[M2+Na]+ (dimer, we would have written that [2M+Na]+)

2019-06-10 Brian Pratt
resolve as Fixed
Statusopen»resolved
We now handle the parenthesis, the [M2+Na]+ form I'm willing to say is just wrong.

2019-06-10 Brian Pratt
close
Statusresolved»closed
Assigned ToBrian Pratt»Guest