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MassBank Record: KO001387

Myristic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO001387
RECORD_TITLE: Myristic acid; LC-ESI-QQ; MS2; CE:40 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$LINK: PUBCHEM SID:8659
CH$LINK: INCHIKEY TUNFSRHWOTWDNC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021666

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 227
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-001i-9200000000-dbca68238dfebab35251
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  79.100 118812.0 220
  84.900 539604.5 999
  93.400 29703.0 55
  109.400 59406.0 110
  120.800 108911.0 202
  122.400 29703.0 55
  206.900 14851.5 27
  227.600 24752.5 46
//

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