MassBank Record: KO001403

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Myristoleic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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

ACCESSION: KO001403
RECORD_TITLE: Myristoleic acid; LC-ESI-QQ; MS2; CE:50 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: 226.193279999999987239789334125816822052001953125
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 DTXSID5041568
CH$LINK: INCHIKEY YWWVWXASSLXJHU-WAYWQWQTSA-N
CH$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 50 V

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

PK$SPLASH: splash10-0595-9000000000-98c3d58fb9e1e7c41c90
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  44.000 59406.0 749
  45.000 79208.0 999
  59.000 64356.5 812
  60.200 9901.0 125
  66.700 19802.0 250
  71.100 74257.5 937
  134.700 14851.5 187
//