MassBank Record: MT000001



 2-Linoleoyl-glycerol; LC-ESI-IT; MS2; m/z: 279.3; [M-C3H7O2]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000001
RECORD_TITLE: 2-Linoleoyl-glycerol; LC-ESI-IT; MS2; m/z: 279.3; [M-C3H7O2]-
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$NAME: 2-Linoleoyl-glycerol CH$COMPOUND_CLASS: Natural Product; Glycerolipids; Monoradylglycerols; Monoacylglycerols CH$FORMULA: C21H38O4 CH$EXACT_MASS: 354.27701 CH$SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)CO CH$IUPAC: InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9- CH$LINK: CAS 3443-82-1 CH$LINK: INCHIKEY IEPGNWMPIFDNSD-HZJYTTRNSA-N
AC$INSTRUMENT: LTQ XL, Thermo Finnigan AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 279.3 MS$FOCUSED_ION: PRECURSOR_TYPE [M-C3H7O2]- MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-03di-0090000000-b1da1ccfad8e0c35cb2a PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 97.1 0.2 2 121.0 2.5 25 123.2 1.6 16 132.2 0.1 1 141.3 0.1 1 151.0 3.6 36 169.2 0.1 1 182.3 0.1 1 183.2 1.0 10 184.2 0.1 1 195.4 3.3 33 205.3 0.1 1 206.5 0.3 3 209.1 4.4 44 219.1 2.1 21 223.1 1.7 17 233.3 2.2 22 234.7 0.1 1 235.1 0.1 1 243.3 2.5 25 249.5 0.1 1 259.3 6.7 67 260.2 1.2 12 261.2 100.0 999 262.3 20.1 201 279.3 2.3 23 280.4 0.9 9 //