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

Nat Methods. 2018 Sep;15(9):681-684. doi: 10.1038/s41592-018-0110-3. Epub 2018 Aug 27.

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.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chromatography, Liquid / methods
  • Cloud Computing*
  • Computational Biology
  • Metabolomics
  • Small Molecule Libraries / chemistry*
  • Tandem Mass Spectrometry

Substances

  • Small Molecule Libraries