ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002177
RECORD_TITLE: TRANS-CINNAMIC 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$NAME: TRANS-CINNAMIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₂
CH$EXACT_MASS: 162.06808
CH$SMILES: COC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
CH$LINK: INCHIKEY CCRCUPLGCSFEDV-BQYQJAHWSA-N
CH$LINK: COMPTOX DTXSID5044314

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$SPLASH: splash10-0w29-4900000000-ff0f82861ca2b55e4c51
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  37 1.3 13
  38 2.4 24
  39 5.4 54
  49 0.11 1
  50 12 120
  51 36 360
  52 5.6 56
  53 0.09 1
  61 0.9 9
  62 2.9 29
  63 5.6 56
  65 0.24 2
  75 6.5 65
  76 9.2 92
  77 55.1 551
  78 0.56 6
  79 1.5 15
  85 1.1 11
  87 0.9 9
  89 0.2 2
  90 1.3 13
  91 5.8 58
  92 1.8 18
  101 0.27 3
  102 19.7 197
  103 99.99 999
  104 13.1 131
  105 0.24 2
  106 0.9 9
  107 1.3 13
  115 0.9 9
  116 0.22 2
  117 5.4 54
  118 1.3 13
  119 0.9 9
  121 0.15 2
  130 4.9 49
  131 48.2 482
  132 15.6 156
  133 0.24 2
  134 2 20
  144 2.9 29
  145 1.1 11
  146 0.11 1
  147 2.9 29
  161 36.7 367
  162 73.2 732
  163 0.83 8
  164 0.9 9
//