MassBank Record: MT000110

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Dihomolinoleic acid (20:2(n-6)); LC-ESI-IT; MS2; m/z: 307.3; [M-H]-

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

ACCESSION: MT000110
RECORD_TITLE: Dihomolinoleic acid (20:2(n-6)); LC-ESI-IT; MS2; m/z: 307.3; [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$NAME: Dihomolinoleic acid (20:2(n-6))
CH$NAME: dihomolinoleate (20:2(n-6))
CH$COMPOUND_CLASS: Natural Product; Fatty Acyls; Fatty Acids and Conjugates; Unsaturated fatty acids
CH$FORMULA: C20H36O2
CH$EXACT_MASS: 308.271529999999984283931553363800048828125
CH$SMILES: CCCCCC=CCC=CCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-
CH$LINK: CAS 2091-39-6
CH$LINK: COMPTOX DTXSID20912353
CH$LINK: INCHIKEY XSXIVVZCUAHUJO-HZJYTTRNSA-N
CH$LINK: LIPIDMAPS LMFA01030130

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$FOCUSED_ION: PRECURSOR_M/Z 307.3
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-000i-0091000000-cd5567f72a97a19a5daa
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  289.2 100.0 999
  290.3 20.0 200
  307.4 10.0 100
  308.4 5.0 50
//