ACCESSION: MSBNK-Keio_Univ-KO001400
RECORD_TITLE: Myristoleic acid; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-004i-0090000000-57b079c6d11a9714cb51
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  59.200 420792.5 1
  70.500 14851.5 1
  73.000 29703.0 1
  80.900 34653.5 1
  82.800 44554.5 1
  93.700 9901.0 1
  95.200 113861.5 1
  97.500 94059.5 1
  98.800 99010.0 1
  106.300 24752.5 1
  109.100 34653.5 1
  111.300 49505.0 1
  112.700 19802.0 1
  118.300 19802.0 1
  124.700 34653.5 1
  131.100 19802.0 1
  135.100 59406.0 1
  137.300 262376.5 1
  141.000 19802.0 1
  143.300 490099.5 1
  149.100 242574.5 1
  152.600 29703.0 1
  153.900 44554.5 1
  154.900 29703.0 1
  156.900 19802.0 1
  161.100 44554.5 1
  163.100 138614.0 1
  165.400 514852.0 1
  171.200 222772.5 1
  179.400 74257.5 1
  181.100 94059.5 1
  183.000 19802.0 1
  187.200 19802.0 1
  189.000 54455.5 1
  193.100 34653.5 1
  207.300 297030.0 1
  211.600 24752.5 1
  224.700 2500002.5 5
  225.300 535926278.5 999
//