MassBank Record: KO001386



 Myristic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001386
RECORD_TITLE: Myristic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M041

CH$NAME: Myristate CH$NAME: Myristic acid CH$NAME: Tetradecanoate CH$NAME: Tetradecanoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H28O2 CH$EXACT_MASS: 228.20893 CH$SMILES: CCCCCCCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) CH$LINK: CAS 544-63-8 CH$LINK: CHEBI 28875 CH$LINK: CHEMPDB MYR CH$LINK: KEGG C06424 CH$LINK: NIKKAJI J4.411C CH$LINK: PUBCHEM SID:8659
AC$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$FOCUSED_ION: PRECURSOR_M/Z 227 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-2090000000-d45cffc15e2efbd45cd6 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 59.300 59406.0 11 78.800 103960.5 19 85.200 1465348.0 262 90.400 19802.0 4 92.900 113861.5 20 97.000 44554.5 8 98.900 24752.5 4 121.100 173267.5 31 122.700 14851.5 3 129.200 391089.5 70 130.200 19802.0 4 207.200 34653.5 6 209.300 163366.5 29 227.500 5579213.5 999 //