MassBank Record: MT000099



 1-Palmitoylglycerophosphocholine; LC-ESI-IT; MS2; m/z: 496.4; [M]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000099
RECORD_TITLE: 1-Palmitoylglycerophosphocholine; LC-ESI-IT; MS2; m/z: 496.4; [M]+
DATE: 2016.01.19 (2009.08.07, 2012.10.30)
AUTHORS: Evans A MMetabolon Inc., Mitchell MMetabolon Inc., DeHaven C DMetabolon Inc., Barrett TMetabolon Inc., Milgram EMetabolon Inc., Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: 1-Palmitoylglycerophosphocholine CH$COMPOUND_CLASS: Natural Product; Glycerophospholipids; Glycerophosphocholines; Monoacylglycerophosphocholines CH$FORMULA: [C24H51NO7P]+ CH$EXACT_MASS: 496.34031 CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC[N+1](C)(C)C CH$IUPAC: InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/p+1 CH$LINK: CAS 17364-16-8 CH$LINK: KEGG C04102 CH$LINK: LIPIDMAPS LMGP01050020 CH$LINK: PUBCHEM CID:86555 CH$LINK: INCHIKEY ASWBNKHCZGQVJV-UHFFFAOYSA-O
AC$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 496.4 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+ MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-004i-0300900000-d6df08bed2b0badf39ea PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 184.1 34.8 348 185.1 1.5 15 258.2 0.5 5 279.0 0.1 1 297.2 0.2 2 313.4 0.4 4 314.4 0.4 4 419.4 0.5 5 433.3 0.1 1 435.2 0.1 1 463.9 0.2 2 464.5 0.2 2 478.4 100.0 999 479.3 4.8 48 486.7 0.2 2 //