ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008425
RECORD_TITLE: (E)-1,2-DIMETHOXY-4-(1-PROPENYL)BENZENE; 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$NAME: (E)-1,2-DIMETHOXY-4-(1-PROPENYL)BENZENE
CH$NAME: TRANS-METHYL ISOEUGENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: COc(c1)c(OC)cc(c1)C([H])=C([H])C
CH$IUPAC: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+
CH$LINK: INCHIKEY NNWHUJCUHAELCL-SNAWJCMRSA-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$SPLASH: splash10-004i-4900000000-648a0e2f6d12e20248ec
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  15 4.93 49
  18 1.2 12
  27 2.78 28
  38 1.28 13
  39 5.87 59
  41 6.36 64
  43 1.63 16
  50 3.1 31
  51 5.8 58
  52 2.04 20
  53 2.94 29
  55 3.92 39
  57 1.93 19
  62 1.39 14
  63 4.5 45
  64 1.64 16
  65 7.11 71
  66 2.15 22
  67 1.06 11
  75 1.18 12
  76 1.23 12
  77 9.35 94
  78 3.41 34
  79 8.34 83
  89 3.19 32
  90 1.02 10
  91 23.86 239
  92 3.78 38
  95 1.99 20
  102 1.9 19
  103 13.91 139
  104 3.18 32
  105 5.73 57
  106 1.05 11
  107 27.44 274
  108 1.72 17
  115 6.67 67
  116 1.86 19
  117 3.02 30
  118 1.27 13
  119 2.31 23
  120 2.53 25
  121 1 10
  131 2.35 24
  132 1.19 12
  133 2.21 22
  135 8.15 82
  146 2.16 22
  147 6.65 67
  148 1.25 13
  162 1.49 15
  163 36.13 361
  164 3.33 33
  178 99.99 999
  179 10.06 101
//