ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006152
RECORD_TITLE: METHYL CINNAMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL CINNAMATE
CH$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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ugi-2900000000-ffcaab8f8b4184bfc13f
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  51 5.79 58
  65 1.75 18
  77 59.49 595
  78 7.5 75
  85 2.43 24
  91 5.69 57
  101 1.2 12
  102 17.74 177
  103 86.64 866
  104 11.43 114
  115 1.05 11
  116 1.97 20
  117 3.5 35
  118 1.56 16
  130 2.35 24
  131 99.99 999
  132 10.41 104
  133 1.14 11
  134 1.3 13
  144 1.33 13
  161 14.76 148
  162 39.66 397
  163 4.32 43
//