MassBank Record: KO001399

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Myristoleic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO001399
RECORD_TITLE: Myristoleic acid; LC-ESI-QQ; MS2; CE:10 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 M044

CH$NAME: Myristoleate
CH$NAME: (Z)-Tetradec-9-enoic acid
CH$NAME: 9-Tetradecenoic acid
CH$NAME: (9Z)-Tetradecenoic acid
CH$NAME: Myristoleic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H26O2
CH$EXACT_MASS: 226.193279999999987239789334125816822052001953125
CH$SMILES: CCCCC=CCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5+
CH$LINK: CAS 544-64-9
CH$LINK: COMPTOX DTXSID901009351
CH$LINK: INCHIKEY YWWVWXASSLXJHU-AATRIKPKSA-N
CH$LINK: KEGG C08322
CH$LINK: NIKKAJI J11.362J
CH$LINK: PUBCHEM SID:10520

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 225
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-0090000000-a312645a9c4ed5c48dc4
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  59.100 193069.5 1
  94.800 19802.0 1
  141.100 49505.0 1
  142.800 108911.0 1
  149.100 138614.0 1
  160.900 29703.0 1
  165.400 1178219.0 1
  179.000 89109.0 1
  181.100 212871.5 1
  183.200 54455.5 1
  189.300 188119.0 1
  193.000 89109.0 1
  207.500 123762.5 1
  209.900 19802.0 1
  224.700 6198026.0 8
  225.300 804060210.0 999
  243.000 163366.5 1
  412.500 19802.0 1
  425.700 44554.5 1
  439.700 14851.5 1
  441.400 54455.5 1
//