MassBank Record: KO000401

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trans-Cinnamic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO000401
RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQ; MS2; CE:10 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 C016

CH$NAME: trans-Cinnamate
CH$NAME: trans-Cinnamic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H8O2
CH$EXACT_MASS: 148.05243
CH$SMILES: OC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
CH$LINK: CAS 140-10-3
CH$LINK: CHEBI 15669
CH$LINK: KEGG C00423
CH$LINK: NIKKAJI J2.024I
CH$LINK: PUBCHEM SID:3713
CH$LINK: INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N
CH$LINK: COMPTOX DTXSID5022489

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 147
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0002-0900000000-88ad8c9c837a057bb2a5
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  59.000 99010.0 1
  84.800 84158.5 1
  86.900 752476.0 2
  100.900 79208.0 1
  103.200 31450526.5 94
  119.100 44554.5 1
  129.100 188119.0 1
  145.500 34653.5 1
  146.500 14574272.0 43
  147.000 335495385.0 999
  165.200 89109.0 1
//