The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Autonomous Metabolomics for Rapid Metabolite Identification in Global Profiling
Open accessAbstract
An autonomous metabolomic workflow combining mass spectrometry analysis with tandem mass spectrometry data acquisition was designed to allow for simultaneous data processing and metabolite characterization. Although previously tandem mass spectrometry data have been generated on the fly, the experiments described herein combine this technology with the bioinformatic resources of XCMS and METLIN. As a result of this unique integration, we can analyze large profiling datasets and simultaneously obtain structural identifications. Validation of the workflow on bacterial samples allowed the profiling on the order of a thousand metabolite features with simultaneous tandem mass spectra data acquisition. The tandem mass spectrometry data acquisition enabled automatic search and matching against the METLIN tandem mass spectrometry database, shortening the current workflow from days to hours. Overall, the autonomous approach to untargeted metabolomics provides an efficient means of metabolomic profiling, and will ultimately allow the more rapid integration of comparative analyses, metabolite identification, and data analysis at a systems biology level.
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Cites
Assigning Significance to Peptides Identified by Tandem Mass Spectrometry Using Decoy Databases
Käll, L., Storey, J. D., MacCoss, M. J., & Noble, W. S. (2008) · Journal of Proteome Research · doi:10.1021/pr700600n · Cited by 607
Cited by
Tsugawa, H., Kind, T., Nakabayashi, R., Yukihira, D., Tanaka, W., Cajka, T., Saito, K., Fiehn, O., & Arita, M. (2016) · Analytical Chemistry · doi:10.1021/acs.analchem.6b00770 · Cited by 685
Mahieu, N. G., & Patti, G. J. (2017) · Analytical Chemistry · doi:10.1021/acs.analchem.7b02380 · Cited by 320
Self-citationGuo, J., & Huan, T. (2020) · Analytical Chemistry · doi:10.1021/acs.analchem.9b05135 · Cited by 312
Wolfender, J.-L., Nuzillard, J.-M., van der Hooft, J. J. J., Renault, J.-H., & Bertrand, S. (2019) · Analytical Chemistry · doi:10.1021/acs.analchem.8b05112 · Cited by 305
Promises and pitfalls of untargeted metabolomics
Gertsman, I., & Barshop, B. A. (2018) · Journal of Inherited Metabolic Disease · doi:10.1007/s10545-017-0130-7 · Cited by 271
Metadata
- Authors
- Benton, H. P., Ivanisevic, J., Mahieu, N. G., Kurczy, M. E., Johnson, C. H., Franco, L., Rinehart, D., Valentine, E., Gowda, H., Ubhi, B. K., Tautenhahn, R., Gieschen, A., Fields, M. W., Patti, G. J., & Siuzdak, G.
- Venue
- Analytical Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-12-26
- Volume
- 87
- Issue
- 2
- Pages
- 884-891
- ISSN
- 0003-2700 (ISSN-L)
- 1520-6882
- OpenAlex
- W2006315039
- Cited by
- 203
- References
- 1
- FWCI
- 4.87
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Benton, H. P., Ivanisevic, J., Mahieu, N. G., Kurczy, M. E., Johnson, C. H., Franco, L., Rinehart, D., Valentine, E., Gowda, H., Ubhi, B. K., Tautenhahn, R., Gieschen, A., Fields, M. W., Patti, G. J., & Siuzdak, G. (2015). Autonomous Metabolomics for Rapid Metabolite Identification in Global Profiling. Analytical Chemistry. https://doi.org/10.1021/ac5025649
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