ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005394
RECORD_TITLE: METHYL CINNAMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL CINNAMATE
CH$NAME: 3-PHENYL-2-PROPENOIC 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$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0gx0-1900000000-c3cda6f91e8c845eb5d7
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  40 1.5 15
  41 4.4 44
  51 7.8 78
  52 2.18 22
  53 3.1 31
  54 1.3 13
  59 1.1 11
  63 0.14 1
  64 3.6 36
  65 1.2 12
  74 2.6 26
  75 0.29 3
  76 4.3 43
  77 24.7 247
  78 3 30
  91 0.25 3
  102 11.7 117
  103 48.8 488
  104 6.6 66
  105 0.11 1
  115 1.1 11
  116 1.3 13
  117 3.6 36
  118 0.11 1
  121 1.7 17
  131 99.99 999
  132 10.4 104
  133 0.12 1
  134 1.2 12
  144 2.1 21
  147 1.5 15
  160 0.38 4
  161 28.1 281
  162 66.8 668
  163 9.5 95
//