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

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

doi:10.1038/s41592-018-0110-3

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

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Serval ID

serval:BIB_A974F34E796B

Type

Article: article from journal or magazin.

Collection

Publications

Institution

UNIL/CHUV

Title

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

Journal

Nature methods

Author(s)

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

ISSN

1548-7105 (Electronic)

ISSN-L

1548-7091

Publication state

Published

Issued date

09/2018

Peer-reviewed

Oui

Volume

Number

Pages

681-684

Language

english

Notes

Publication types: Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
Publication Status: ppublish

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.

Keywords

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

OAI-PMH

oai:serval.unil.ch:BIB_A974F34E796B

DOI

10.1038/s41592-018-0110-3

Pubmed

30150755

Web of science

000443439700022

Create date

03/09/2018 13:34