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

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.

SUBMITTER: Domingo-Almenara X

PROVIDER: S-EPMC6629029 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature

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

Domingo-Almenara Xavier X Montenegro-Burke J Rafael JR Ivanisevic Julijana J Thomas Aurelien A Sidibé Jonathan J Teav Tony T Guijas Carlos C Aisporna Aries E AE Rinehart Duane D Hoang Linh L Nordström Anders A Gómez-Romero María M Whiley Luke L Lewis Matthew R MR Nicholson Jeremy K JK Benton H Paul HP Siuzdak Gary G

Nature methods 20180827 9

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. ...[more]

PMID: 30150755

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