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MassBank Record: KO001402

Myristoleic 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: KO001402
RECORD_TITLE: Myristoleic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
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: 226.19328
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: KEGG C08322
CH$LINK: NIKKAJI J11.362J
CH$LINK: PUBCHEM SID:10520
CH$LINK: INCHIKEY YWWVWXASSLXJHU-WAYWQWQTSA-N
CH$LINK: COMPTOX DTXSID5041568

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

PK$SPLASH: splash10-0a4i-9120000000-50121015a2477be41bec
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  44.100 44554.5 105
  44.400 34653.5 81
  54.000 14851.5 35
  57.300 14851.5 35
  59.200 425743.0 999
  66.600 14851.5 35
  68.800 14851.5 35
  81.000 74257.5 174
  108.400 54455.5 128
  110.100 44554.5 105
  142.900 14851.5 35
  225.200 143564.5 337
//

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