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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)

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 (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$NAME: 10-Heptadecenoic acid (17:1(n-7))
CH$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
//

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