ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007349
RECORD_TITLE: METHYL 3-PHENYL-2-PROPENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3-PHENYL-2-PROPENOATE
CH$NAME: 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: CAS 103-26-4
CH$LINK: INCHIKEY CCRCUPLGCSFEDV-BQYQJAHWSA-N
CH$LINK: COMPTOX DTXSID5044314

AC$INSTRUMENT: ESCO EMD-05A
AC$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$SPLASH: splash10-0gx0-3900000000-64e823d4736fb7be4e9e
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  38 2.4 24
  39 3.13 31
  50 9 90
  51 14.7 147
  52 3.04 30
  53 1.46 15
  59 1.33 13
  62 3.94 39
  63 4.63 46
  74 8.36 84
  75 6.17 62
  76 5.4 54
  77 42.05 421
  78 6.13 61
  85 3.21 32
  91 5.36 54
  92 1.33 13
  94 1.5 15
  101 1.89 19
  102 14.66 147
  103 64.08 641
  104 9.94 99
  105 1.84 18
  115 3.04 30
  117 2.31 23
  121 1.97 20
  130 1.46 15
  131 99.99 999
  132 11.49 115
  137 1.33 13
  161 19.16 192
  162 50.45 505
  163 4.97 50
//