XCMS-MRM and METLIN-MRM: A cloud library and public resource for targeted analysis of small molecules

X. Domingo-Almenara; J.R. Montenegro-Burke; J. Ivanisevic; A. Thomas; J. Sidibé; T. Teav; C. Guijas; A.E. Aisporna; D. Rinehart; L. Hoang; A. Nordström; M. Gómez-Romero; L. Whiley; M.R. Lewis; J.K. Nicholson; H.P. Benton; G. Siuzdak

doi:10.1038/s41592-018-0110-3

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XCMS-MRM and METLIN-MRM: A cloud library and public resource for targeted analysis of small molecules

Journal article

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XCMS-MRM and METLIN-MRM: A cloud library and public resource for targeted analysis of small molecules

X. Domingo-Almenara, J.R. Montenegro-Burke, J. Ivanisevic, A. Thomas, J. Sidibé, T. Teav, C. Guijas, A.E. Aisporna, D. Rinehart, L. Hoang, …

Nature Methods, Vol.15(9), pp.681-684

2018

DOI: https://doi.org/10.1038/s41592-018-0110-3

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Abstract

We report XCMS-MRM and METLIN-MRM (http://xcmsonline-mrm.scripps.edu/ and http://metlin.scripps.edu/), a cloud-based data-analysis platform and a public multiple-reaction monitoring (MRM) transition repository for small-molecule quantitative tandem mass spectrometry. This platform provides MRM transitions for more than 15,500 molecules and facilitates data sharing across different instruments and laboratories.

Details

Title: XCMS-MRM and METLIN-MRM: A cloud library and public resource for targeted analysis of small molecules
Authors/Creators: X. Domingo-Almenara (Author/Creator) - Scripps Research Institute
J.R. Montenegro-Burke (Author/Creator) - Scripps Research Institute
J. Ivanisevic (Author/Creator) - University of Lausanne
A. Thomas (Author/Creator) - University Hospital of Geneva
J. Sidibé (Author/Creator) - University Hospital of Geneva
T. Teav (Author/Creator) - University of Lausanne
C. Guijas (Author/Creator) - Scripps Research Institute
A.E. Aisporna (Author/Creator) - Scripps Research Institute
D. Rinehart (Author/Creator) - Scripps Research Institute
L. Hoang (Author/Creator) - Scripps Research Institute
A. Nordström (Author/Creator) - Umeå University
M. Gómez-Romero (Author/Creator) - NIHR Imperial Biomedical Research Centre
L. Whiley (Author/Creator) - NIHR Imperial Biomedical Research Centre
M.R. Lewis (Author/Creator) - NIHR Imperial Biomedical Research Centre
J.K. Nicholson (Author/Creator) - NIHR Imperial Biomedical Research Centre
H.P. Benton (Author/Creator) - Scripps Research Institute
G. Siuzdak (Author/Creator) - Scripps Research Institute
Publication Details: Nature Methods, Vol.15(9), pp.681-684
Publisher: Springer Nature
Identifiers: 991005544495907891
Copyright: © 2020 Springer Nature Limited
Murdoch Affiliation: Murdoch University
Language: English
Resource Type: Journal article

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Collaboration types: Domestic collaboration; International collaboration
Citation topics: 2 Chemistry; 2.211 Mass Spectrometry; 2.211.990 Metabolomics
Web Of Science research areas: Biochemical Research Methods
ESI research areas: Biology & Biochemistry