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MassBank Record: KO001629

Palmitoleic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO001629
RECORD_TITLE: Palmitoleic acid; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0udi-9090000000-909ebad9120d01bf8e79
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  44.900 34653.5 79
  45.300 39604.0 91
  46.200 69307.0 159
  59.100 44554.5 102
  71.100 94059.5 216
  79.000 89109.0 204
  83.200 24752.5 57
  95.300 24752.5 57
  97.200 39604.0 91
  126.700 24752.5 57
  220.500 24752.5 57
  253.400 435644.0 999
//

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