ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008527
RECORD_TITLE: 3-METHYLBUTYL 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$NAME: 3-METHYLBUTYL 3-PHENYLPROPENOATE
CH$NAME: ISOAMYL CINNAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₂
CH$EXACT_MASS: 218.13068
CH$SMILES: CC(C)CCOC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8+
CH$LINK: INCHIKEY JFHCDEYLWGVZMX-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$SPLASH: splash10-000t-5900000000-fcac44db117af2817d1b
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  14 2.01 20
  27 10.15 102
  29 4.26 43
  39 8.2 82
  41 15.53 155
  42 5.65 57
  43 18.38 184
  50 2.92 29
  51 12.51 125
  52 1.81 18
  53 1.79 18
  55 16.96 170
  63 1.95 20
  69 2.98 30
  70 46.91 469
  71 2.81 28
  74 1.22 12
  75 2.17 22
  76 3.29 33
  77 36.86 369
  78 2.75 28
  91 2.2 22
  101 1.08 11
  102 13.15 132
  103 49.86 499
  104 10.45 105
  105 1.12 11
  107 1.09 11
  120 2.02 20
  130 1.7 17
  131 99.99 999
  132 10.27 103
  147 34.31 343
  148 51.8 518
  149 35.52 355
  150 3.1 31
  218 7.38 74
  219 1.01 10
//