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MassBank Record: KO001401

Myristoleic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO001401
RECORD_TITLE: Myristoleic acid; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-004i-0090000000-4fcda40660e1f5947eb6
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  45.300 94059.5 2
  59.000 569307.5 15
  69.000 29703.0 1
  70.800 44554.5 1
  80.600 34653.5 1
  82.600 49505.0 1
  83.300 64356.5 2
  93.000 39604.0 1
  94.900 103960.5 3
  96.800 89109.0 2
  107.700 29703.0 1
  108.400 24752.5 1
  110.100 54455.5 1
  111.500 113861.5 3
  112.800 14851.5 1
  123.000 39604.0 1
  124.800 24752.5 1
  127.200 69307.0 2
  137.100 257426.0 7
  140.700 19802.0 1
  143.100 267327.0 7
  149.100 103960.5 3
  153.200 24752.5 1
  154.400 24752.5 1
  162.700 29703.0 1
  165.200 49505.0 1
  171.100 138614.0 4
  179.600 34653.5 1
  181.100 29703.0 1
  182.400 19802.0 1
  188.900 19802.0 1
  207.500 188119.0 5
  225.300 37905978.5 999
//

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