MetCCS predictor: A web server for predicting collision cross-section values of metabolites in ion mobility-mass spectrometry based metabolomics

Bioinformatics

Volumn 33, Issue 14, 2017, Pages 2235-2237

  Zhou, Zhiwei ^a   Xiong, Xin ^a   Zhu, Zheng Jiang ^a  

^a SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

MASS SPECTROMETRY; METABOLOMICS; PROCEDURES; SOFTWARE;

MASS SPECTROMETRY; METABOLOMICS; SOFTWARE;

EID: 85024485472     PISSN: 13674803     EISSN: 14602059     Source Type: Journal    
DOI: 10.1093/bioinformatics/btx140     Document Type: Conference Paper

References (6)

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2. May, J.C. et al. (2014) Conformational ordering of biomolecules in the gas phase: nitrogen collision cross sections measured on a prototype high reso-lution drift tube ion mobility-mass spectrometer. Anal. Chem., 86, 2107-2116.
3. Paglia, G. et al. (2014) Ion mobility derived collision cross sections to support metabolomics applications. Anal. Chem., 86, 3985-3993.
4. Patti, G.J. et al. (2012) Innovation: Metabolomics: The apogee of the omics trilogy. Nat. Rev. Mol. Cell Biol., 13, 263-269.
5. Stephan, S. et al. (2016) Contaminant screening of wastewater with HPLC-IM-qTOF-MS and LC+LC-IM-qTOF-MS using a CCS database. Anal. Bioanal. Chem., 408, 6545-6555.
6. Zhou, Z. et al. (2016) Large-scale prediction of collision cross-section values for metabolites in ion mobility-mass spectrometry. Anal. Chem., 88, 11084-11091.