Metabolomics Society Forum

Software => R => RMassBank => Topic started by: sri4686 on February 13, 2014, 09:36:22 AM

Title: Using RMassBank for batch search
Post by: sri4686 on February 13, 2014, 09:36:22 AM
Hi,

I new to this forum and to LCMS based metabolomics, so pardon me if I am posting in the wrong location. I ran some of my samples untargeted analysis on an ABSCIEX instrument LC/MS/MS and got data output as .wiff files. I want to identify the compounds in the dataset using Massbank. Previously, I used Waters instrument and the technician used to provide me the data as .msp which I used to upload on Massbank and get the corresponding IDs using Batch search. Let me know if RMassbank could do something similar with .wiff files.

Thanks
Sri