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) \n

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$LINK: PUBCHEM SID:10558
AC$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 //