MassBank Record: KO001400



 Myristoleic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //