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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002230

PARA-METHYLCINNAMIC ACID METHYL ESTER; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002230
RECORD_TITLE: PARA-METHYLCINNAMIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: PARA-METHYLCINNAMIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O2
CH$EXACT_MASS: 176.08373
CH$SMILES: COC(=O)C=Cc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C11H12O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3-8H,1-2H3/b8-7+
CH$LINK: INCHIKEY WLJBRXRCJNSDHT-BQYQJAHWSA-N

AC$INSTRUMENT: JEOL JMS-01-SG
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014j-2900000000-93b0b51e717b0cd721d6
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  50 7.2 72
  51 6.4 64
  52 4.8 48
  57 0.16 2
  58 7.2 72
  59 13.7 137
  61 2.4 24
  62 0.4 4
  63 4.8 48
  65 11.2 112
  72 2.4 24
  73 0.16 2
  76 4 40
  77 4 40
  87 3.2 32
  89 0.8 8
  90 2.4 24
  91 19.3 193
  101 1.6 16
  102 0.4 4
  103 3.2 32
  113 2.4 24
  115 46.7 467
  116 1.77 18
  117 46.7 467
  118 10.4 104
  127 2.4 24
  130 0.24 2
  131 4 40
  132 2.4 24
  135 3.2 32
  140 0.24 2
  144 4 40
  145 99.99 999
  146 12.9 129
  147 0.16 2
  149 1.6 16
  158 2.4 24
  161 8.8 88
  175 1.37 14
  176 54.8 548
  177 7.2 72
  178 2.4 24
//

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