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MassBank Record: MT000088

1-Oleoylglycerophosphocholine; LC-ESI-IT; MS2; m/z: 522.4; [M]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MT000088
RECORD_TITLE: 1-Oleoylglycerophosphocholine; LC-ESI-IT; MS2; m/z: 522.4; [M]+
DATE: 2016.01.19 (Created 2009.08.07, modified 2012.10.30)
AUTHORS: Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: 1-Oleoylglycerophosphocholine
CH$COMPOUND_CLASS: Natural Product; Glycerophospholipids; Glycerophosphocholines; Monoacylglycerophosphocholines
CH$FORMULA: C26H53NO7P+
CH$EXACT_MASS: 522.35596
CH$SMILES: P(O)(=O)(OCC[N+1](C)(C)C)OCC([H])(O)COC(=O)CCCCCCCC=CCCCCCCCC
CH$IUPAC: InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/p+1/b13-12-/t25-/m1/s1
CH$LINK: CAS 19420-56-5
CH$LINK: HMDB HMDB02815
CH$LINK: KEGG C03916
CH$LINK: PUBCHEM CID:5313988
CH$LINK: INCHIKEY YAMUFBLWGFFICM-PTGWMXDISA-O

AC$INSTRUMENT: LTQ XL, Thermo Finnigan
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_M/Z 522.4
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-0udi-0300090000-32be2229b3e71b683a98
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  184.1 35.0 350
  504.4 100.0 999
  505.3 1.0 10
//

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