ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009906
RECORD_TITLE: METHYL (3,4-METHYLENEDIOXY)-ALPHA-METHYLCINNAMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL (3,4-METHYLENEDIOXY)-ALPHA-METHYLCINNAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂O₄
CH$EXACT_MASS: 220.07356
CH$SMILES: COC(=O)C(C)=Cc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C12H12O4/c1-8(12(13)14-2)5-9-3-4-10-11(6-9)16-7-15-10/h3-6H,7H2,1-2H3/b8-5+
CH$LINK: INCHIKEY ONRIBRPCDSNRTI-VMPITWQZSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0w90-3920000000-9f27ce1a5fa3a1515c1b
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  39 5.5 55
  50 5.6 56
  51 11 110
  53 3.7 37
  62 6.3 63
  63 14 140
  65 11.8 118
  74 4.2 42
  75 6.5 65
  76 7.6 76
  77 28 280
  78 3.8 38
  79 3 30
  91 5 50
  93 13 130
  101 2.6 26
  102 28.1 281
  103 66.5 665
  104 8.2 82
  119 3.8 38
  121 3.7 37
  130 6 60
  131 31.5 315
  132 4.2 42
  135 6.3 63
  145 4 40
  147 6 60
  151 30.5 305
  159 24.2 242
  160 93.5 935
  161 22.8 228
  162 6.3 63
  165 6 60
  189 20.8 208
  190 2.8 28
  219 5.3 53
  220 99.99 999
  221 13.3 133
//