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MS-DIAL / Re: GOLM mass spectrum library with MS-DIAL
You are right, GOLM library has all needed information inside, but uses slightly different format of MSP file.
It it relatively easy to fix in a text editor (e.g., Notepad++). It is better to open the library provided at the MS-DIAL webpage for reference and the "GMD_20111121_VAR5_ALK_MSL.txt" library file for editing.
Compound name in MSDIAL library file is coded as "NAME: hexanal -b", which corresponds best to "MST N: Glycine, N,N-dimethyl- (1TMS)" in the Golm library file. Golm library uses long identifiers in "Name" field, like: "Name: M000880_A098001-101-xxx_NA_186302,31_TRUE_VAR5_FAME_Glycine, N,N-dimethyl- (1TMS)".
So what is needed for correct compound name visualization is to replace in the whole Golm library file:
1. original "Name" tag with something else, for example, "oldname"
2. "MST N" with "Name"
In the same manner one can "fix" ontology, INCHIKEY, CAS, etc. fields.
Best regards,
Dmitry