Literature DB >> 30150755

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

Xavier Domingo-Almenara1, J Rafael Montenegro-Burke1, Julijana Ivanisevic2, Aurelien Thomas3,4, Jonathan Sidibé3,4, Tony Teav2, Carlos Guijas1, Aries E Aisporna1, Duane Rinehart1, Linh Hoang1, Anders Nordström5, María Gómez-Romero6, Luke Whiley6, Matthew R Lewis6, Jeremy K Nicholson6, H Paul Benton7, Gary Siuzdak8,9.   

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.

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Year:  2018        PMID： 30150755      PMCID： PMC6629029          DOI： 10.1038/s41592-018-0110-3

Source DB:  PubMed          Journal:  Nat Methods        ISSN： 1548-7091            Impact factor:   28.547


  25 in total

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  30 in total

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3.  Development of a plasma pseudotargeted metabolomics method based on ultra-high-performance liquid chromatography-mass spectrometry.

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4.  Cognitive analysis of metabolomics data for systems biology.

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Review 7.  Machine Learning and Hybrid Methods for Metabolic Pathway Modeling.

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10.  Single Quadrupole Multiple Fragment Ion Monitoring Quantitative Mass Spectrometry.

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