ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008523
RECORD_TITLE: 1-METHYLETHYL 3-PHENYLPROPENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 1-METHYLETHYL 3-PHENYLPROPENOATE
CH$NAME: ISOPROPYL CINNAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₂
CH$EXACT_MASS: 190.09938
CH$SMILES: CC(C)OC(=O)C([H])=C([H])c(c1)cccc1
CH$IUPAC: InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
CH$LINK: INCHIKEY RGACABDFLVLVCT-CMDGGOBGSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0uea-3900000000-0086a638ccdd7dbf65b6
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 1.56 16
  27 11.02 110
  29 1.15 12
  39 7.79 78
  41 14.04 140
  42 1.47 15
  43 19.23 192
  50 6.72 67
  51 18.74 187
  52 2.29 23
  59 8.34 83
  63 3.18 32
  74 2.26 23
  75 2.95 30
  76 4.89 49
  77 40.66 407
  78 3.4 34
  91 6.25 63
  92 1.23 12
  101 1.37 14
  102 17.44 174
  103 46.29 463
  104 29.74 297
  105 2.62 26
  107 1 10
  119 1.52 15
  120 3.91 39
  130 3.1 31
  131 99.99 999
  132 13.21 132
  133 1.01 10
  145 9.83 98
  146 2.21 22
  147 64.32 643
  148 41.17 412
  149 3.67 37
  175 2.44 24
  190 29.35 294
  191 3.38 34
//