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MassBank Record: KO001627

Palmitoleic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO001627
RECORD_TITLE: Palmitoleic acid; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0udi-0090000000-3cac469ac1efde0a3543
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  35.300 39604.0 1
  45.800 173267.5 1
  58.700 59406.0 1
  78.800 34653.5 1
  97.200 79208.0 1
  102.800 79208.0 1
  114.800 153465.5 1
  136.700 9901.0 1
  143.800 19802.0 1
  148.800 54455.5 1
  149.400 49505.0 1
  171.300 94059.5 1
  187.000 19802.0 1
  200.500 24752.5 1
  208.900 19802.0 1
  217.200 24752.5 1
  220.000 79208.0 1
  220.600 44554.5 1
  235.300 44554.5 1
  253.300 431356867.0 999
//

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