Creating High Quality Metabolite Libraries for Fast Metabolomics Screening and Identification
نویسندگان
چکیده
All samples were analyzed on a Thermo Scientific Q ExactiveTM. Two acquisition modes were used. A full MS scan at 35,000 resolution with positive and negative switching. The other acquisition mode was a full MS at 70,000 resolution followed by data-dependent MS2 in both positive and negative polarities. An inclusion list for all the respective batches was included in the full MS data-dependent MS2 method. All MS2 spectra of the compounds were acquired at three fixed collision energies, 10, 30 and 45.
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