standards with wrong formula

EuracBiomedicalResearch / lcms-standards

Measurements of standard compounds in LC/MS setups and configurations at Eurac Research

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standards with wrong formula #12

Closed jorainer closed 4 years ago

jorainer commented 4 years ago

Checking manually all information for the standards from HMDB, for one standard the formula differs:

propionic acid (HMDB0000237): formula old: CH3CH2CO2H, formula from HMDB: C3H6O2

jorainer commented 4 years ago

@mar-garcia, can you please check the ions for this one?

mar-garcia commented 4 years ago

I think that both formulas are the same, but written in a different way... I mean, both CH3CH2CO2H & C3H6O2 are associated to a neutral mass of 74.03677

jorainer commented 4 years ago

well, that makes it easier. so we skip that one.

jorainer commented 4 years ago

I think we can close this issue now since you've updated the table.