MassBank Record: MT000097



 10c-Undecenoic acid; LC-ESI-IT; MS2; m/z: 183.3; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000097
RECORD_TITLE: 10c-Undecenoic acid; LC-ESI-IT; MS2; m/z: 183.3; [M-H]-
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$NAME: 10c-Undecenoic acid CH$NAME: 10c-undecenoate CH$COMPOUND_CLASS: Natural Product; Fatty Acyls; Fatty Acids and Conjugates; Unsaturated fatty acids CH$FORMULA: C11H20O2 CH$EXACT_MASS: 184.14633 CH$SMILES: C=CCCCCCCCCC(=O)O[H] CH$IUPAC: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13) CH$LINK: CAS 1333-28-4 CH$LINK: LIPIDMAPS LMFA01030036 CH$LINK: INCHIKEY FRPZMMHWLSIFAZ-UHFFFAOYSA-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$FOCUSED_ION: PRECURSOR_M/Z 183.3 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-001i-0900000000-b90f772663028aa6c273 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 111.3 0.2 2 132.1 0.2 2 133.2 0.2 2 139.1 0.3 3 165.2 1.1 11 183.2 100.0 999 184.2 33.6 336 //