MassBank Record: MT000118



 10-Heptadecenoic acid (17:1(n-7)); LC-ESI-IT; MS2; m/z: 267.3; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000118
RECORD_TITLE: 10-Heptadecenoic acid (17:1(n-7)); LC-ESI-IT; MS2; m/z: 267.3; [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$NAME: 10-Heptadecenoic acid (17:1(n-7)) CH$NAME: 10-heptadecenoate (17:1(n-7)) CH$COMPOUND_CLASS: Natural Product; Fatty Acyls; Fatty Acids and Conjugates; Unsaturated fatty acids CH$FORMULA: C17H32O2 CH$EXACT_MASS: 268.24023 CH$SMILES: CCCCCCC=CCCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,9-16H2,1H3,(H,18,19)/b8-7- CH$LINK: CAS 29743-97-3 CH$LINK: LIPIDMAPS LMFA01030283 CH$LINK: INCHIKEY GDTXICBNEOEPAZ-FPLPWBNLSA-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$FOCUSED_ION: PRECURSOR_M/Z 267.3 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-014i-0090000000-e45603c0767cadb1e6a6 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 223.1 13.0 130 235.0 15.0 150 237.1 14.0 140 249.3 64.0 639 250.2 12.0 120 253.0 18.0 180 267.3 100.0 999 268.3 39.0 390 //