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Gary Siuzdak

@kadzuis • 6,243 subscribers

Scientist, heal thyself. Designing #METLIN & #XCMS to identify active natural products, lipids, metabolites, drugs… https://t.co/WtRlKrV5Zs

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70% of the peaks in LC/MS data is noise, whether it is derived from endogenous or exogenous molecules. An interesting outcome from our recent analysis of the MS/MS data from over 930,000 endogenous and exogenous molecules in #METLIN at 0eV. Only 30% total peaks from molecular ions and 70% from ISF, this 70% might explain the "dark matter" Nature Methods

70% of the peaks in LC/MS data is noise, whether it is derived from endogenous or exogenous molecules. An interesting outcome from our recent analysis of the MS/MS data from over 930,000 endogenous and exogenous molecules in #METLIN at 0eV. Only 30% total peaks from molecular ions and 70% from ISF, this 70% might explain the "dark matter" Nature Methods

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Tens of thousands of papers/books on #masspec or #metabolomics, now a book with “Metabolomics" AND "Mass Spectrometry" You can freely download the book at and A hardcopy will be available in the coming days. Thoughts welcome

Tens of thousands of papers/books on #masspec or #metabolomics, now a book with “Metabolomics" AND "Mass Spectrometry" You can freely download the book at and A hardcopy will be available in the coming days. Thoughts welcome

27,201 görüntüleme • 2 yıl önce

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

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

22,235 görüntüleme • 2 yıl önce

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.

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.

23,899 görüntüleme • 3 yıl önce

Free #Metabolomics & #massspec #AMMS short course Scripps Research(Sept 3, 10, 17, 24 10a-11:30a PT each Tuesday). Covering MassSpec, Metabolomics, and some Proteomics. Zoom and limited in-person seating Sponsored by Agilent Technologies Waters Corporation Info & register at The course will cover September 3rd 10-11:30a Pacific Time • Introduction to Mass Spectrometry & Metabolomics September 10th 10-11:30a Pacific Time • Proteomics Segue • Targeted Metabolomics • Untargeted Metabolomics September 17th 10-11:30a Pacific Time • XCMS Data Processing • METLIN 935K Database • In-Source Fragmentation LC/MS Data Annotation • XCMS-METLIN Integration September 24th 10-11:30a Pacific Time • Metabolite Identification • Activity Metabolomics

Free #Metabolomics & #massspec #AMMS short course Scripps Research(Sept 3, 10, 17, 24 10a-11:30a PT each Tuesday). Covering MassSpec, Metabolomics, and some Proteomics. Zoom and limited in-person seating Sponsored by Agilent Technologies Waters Corporation Info & register at The course will cover September 3rd 10-11:30a Pacific Time • Introduction to Mass Spectrometry & Metabolomics September 10th 10-11:30a Pacific Time • Proteomics Segue • Targeted Metabolomics • Untargeted Metabolomics September 17th 10-11:30a Pacific Time • XCMS Data Processing • METLIN 935K Database • In-Source Fragmentation LC/MS Data Annotation • XCMS-METLIN Integration September 24th 10-11:30a Pacific Time • Metabolite Identification • Activity Metabolomics

11,134 görüntüleme • 2 yıl önce

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