Metabolomics Society Forum

Software => MS-DIAL => Topic started by: chen chang on April 10, 2023, 02:02:53 AM

Title: aggregate every single ms/ms msp to database
Post by: chen chang on April 10, 2023, 02:02:53 AM
 how do I aggregate msp files of individual standards exported by MS-DIAL into the self-built databaseļ¼ˆa total databaseļ¼‰,Yhanks a lot! I test hundreds of MS/MS spectrum, and send to a MSP, but i could not merge all the MSP, so that i can use it as a database.
Title: Re: aggregate every single ms/ms msp to database
Post by: chen chang on April 10, 2023, 02:09:33 AM
and I find version 5.2 made a deconvolution error for a flavonoid, so i return to version 4.9. It cannot find the parent ion in deconvolution spectrun, but which is present in raw spectrum.