Computational approach to structural identification of phospholipids using raw mass spectra from nanoflow liquid chromatography-electrospray ionization-tandem mass spectrometry

Journal of Mass Spectrometry

Volumn 47, Issue 8, 2012, Pages 1004-1014

  Lim, Sangsoo ^a   Byeon, Seul Kee ^a   Lee, Ju Yong ^a   Moon, Myeong Hee ^a  

^a Yonsei University   (South Korea)

Author keywords

algorithms; CID; LiPilot; nLC ESI MS MS; phospholipids; software tool

Indexed keywords

BIOLOGICAL MIXTURES; CID; COLLISION-INDUCED DISSOCIATION; COMPUTATIONAL APPROACH; CONFIDENCE SCORE; DATA FILTRATION; FRAGMENT IONS; FRAGMENTATION PATTERNS; ION INTENSITIES; ION TRAP MASS SPECTROMETER; LIBRARY FILES; LIPID MIXTURES; LIPILOT; LYSOPHOSPHOLIPIDS; MASS SPECTRA; NANOFLOWS; NLC-ESI-MS-MS; QUALITATIVE ANALYSIS; REGIOISOMERS; RETENTION TIME; STRUCTURAL IDENTIFICATION; WEIGHTING FACTORS;

ALGORITHMS; COMPUTER AIDED SOFTWARE ENGINEERING; FACTOR ANALYSIS; LIQUID CHROMATOGRAPHY; MASS SPECTROMETERS; MASS SPECTROMETRY; MIXTURES; PHOSPHOLIPIDS; SOFTWARE TESTING;

IONS;

ION; PHOSPHOLIPID;

ALGORITHM; ARTICLE; COMPUTER PROGRAM; ELECTROSPRAY MASS SPECTROMETRY; HUMAN; LABORATORY TEST; LIPIDOMICS; LIQUID CHROMATOGRAPHY; PRIORITY JOURNAL; QUALITATIVE ANALYSIS; URINALYSIS;

ALGORITHMS; CHROMATOGRAPHY, LIQUID; HUMANS; NANOTECHNOLOGY; PHOSPHOLIPIDS; SOFTWARE; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; TANDEM MASS SPECTROMETRY;

EID: 84865272389     PISSN: 10765174     EISSN: 10969888     Source Type: Journal    
DOI: 10.1002/jms.3033     Document Type: Article

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