Dears MS-DIAL developers,
In the MSP library retention time for each compound is specified. What are the chromatographic conditions (column, gradient, temperature, etc.) the data was collected with?
Thank you in advance.
Which library are you talking about specifically? There are two large conglomerate spectral library (+ & -) as well as a bunch of smaller individual libraries from various groups. The individual libraries likely all have different conditions specific to the group/labs that generated. If you can find the initial publications from those groups or the MS-Dial group you can often locate the LC-MS conditions.
Oh, yes. Sorry.
I am asking about "MSMS-Public-Neg-VS15.msp" library. It looks like the library was created under some standard LC conditions.
Could you please help me with this issue?
Thank you.
Dear Ploutno
I simply integrated the individual MSP libraries to create the MSMS-Public-Neg-VS15.msp. I should note the origin of MSP database actually, but if you should know the origin, you should integrate each of MSP library by yourself to distinguish the origin of chromatography conditions.
Hiroshi