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MassBank Record: KO001628

Palmitoleic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO001628
RECORD_TITLE: Palmitoleic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P044

CH$NAME: Palmitoleate
CH$NAME: (9Z)-Hexadecenoic acid
CH$NAME: cis-9-Hexadecenoic acid
CH$NAME: Palmitoleic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H30O2
CH$EXACT_MASS: 254.22458
CH$SMILES: CCCCCCC=CCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
CH$LINK: CAS 373-49-9
CH$LINK: CHEBI 28716
CH$LINK: CHEMPDB PAM
CH$LINK: KEGG C08362
CH$LINK: NIKKAJI J12.503B
CH$LINK: PUBCHEM SID:10558
CH$LINK: INCHIKEY SECPZKHBENQXJG-FPLPWBNLSA-N
CH$LINK: COMPTOX DTXSID0041197

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 253
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0udi-0090000000-e5833c7aa4795570bdc4
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  34.800 49505.0 1
  46.100 94059.5 1
  58.900 64356.5 1
  71.100 113861.5 2
  78.900 64356.5 1
  82.700 24752.5 1
  97.000 207921.0 3
  111.600 79208.0 1
  114.800 64356.5 1
  140.800 9901.0 1
  149.400 19802.0 1
  167.600 14851.5 1
  183.400 24752.5 1
  220.700 103960.5 2
  235.300 212871.5 3
  253.300 67514919.0 999
//

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