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Mass spectrometry data re-interpretation Nature Metabolism. #METLIN's 931K molecular stds data was mined at 0eV CE showing >70% LCMS peaks are in-source fragments (ISF). Shifting how small molecule LCMS data is deciphered #metabolomics ACS Analytical Chemistry Journals @MartinGiera
0:38
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Mass spectrometry data re-interpretation Nature Metabolism. #METLIN's 931K molecular stds data was mined at 0eV CE showing >70% LCMS peaks are in-source fragments (ISF). Shifting how small molecule LCMS data is deciphered #metabolomics ACS Analytical Chemistry Journals @MartinGiera

Gary Siuzdak

22,235 Aufrufe • vor 2 Jahren

Downloadable #METLIN-CCS library Nature Methods just released 185K CCS values on 27,633 molecular stds. Multiple ion types MH+, MNa+, M–H, dimers pos/neg ioniz., not a bad #AI resource. Great collaboration w Biemann laureate Dr. Erin Baker Am Soc for Mass Spec @MacCossLab Bruker Ryan Roitman-Waters Metabolon, Inc.
0:25
kadzuis's profile picture

Downloadable #METLIN-CCS library Nature Methods just released 185K CCS values on 27,633 molecular stds. Multiple ion types MH+, MNa+, M–H, dimers pos/neg ioniz., not a bad #AI resource. Great collaboration w Biemann laureate Dr. Erin Baker Am Soc for Mass Spec @MacCossLab Bruker Ryan Roitman-Waters Metabolon, Inc.

Gary Siuzdak

23,899 Aufrufe • vor 3 Jahren

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