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MassBank Record: MT000017

2-Arachidonoyl glycerol; LC-ESI-IT; MS2; m/z: 377.1; [M-H]-

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

ACCESSION: MT000017
RECORD_TITLE: 2-Arachidonoyl glycerol; LC-ESI-IT; MS2; m/z: 377.1; [M-H]-
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$NAME: 2-Arachidonoyl glycerol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C23H38O4
CH$EXACT_MASS: 378.27701
CH$SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(CO)CO
CH$IUPAC: InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
CH$LINK: CAS 53847-30-6
CH$LINK: HMDB HMDB04666
CH$LINK: KEGG C13856
CH$LINK: INCHIKEY RCRCTBLIHCHWDZ-DOFZRALJSA-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$FOCUSED_ION: PRECURSOR_M/Z 377.1
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-0pb9-0093000000-784b0a96c956728b8d1b
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  258.1 0.6 6
  259.2 100.0 999
  260.4 1.2 12
  273.3 0.6 6
  285.2 26.2 262
  286.3 0.4 4
  301.3 0.4 4
  303.2 52.4 523
  303.9 0.3 3
  304.3 0.1 1
  307.3 0.1 1
  333.2 0.1 1
  345.3 0.2 2
  359.5 0.2 2
//

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