ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002066
RECORD_TITLE: 2-(3,4-DIMETHOXYPHENYL)ETHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(3,4-DIMETHOXYPHENYL)ETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₃
CH$EXACT_MASS: 182.09429
CH$SMILES: OCCc(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C10H14O3/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7,11H,5-6H2,1-2H3
CH$LINK: INCHIKEY SRQAJMUHZROVHW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80225138

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udr-9600000000-af86466072bdb9363393
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  18 0.6 6
  28 5.1 51
  29 4.5 45
  31 0.48 5
  32 1.1 11
  33 2.3 23
  39 0.9 9
  41 0.54 5
  42 2.5 25
  43 4.2 42
  45 14.7 147
  47 0.2 2
  48 0.6 6
  53 1.7 17
  55 3.4 34
  57 0.62 6
  58 0.6 6
  59 15.3 153
  60 1.1 11
  61 0.31 3
  65 4.2 42
  66 0.9 9
  67 0.6 6
  69 0.14 1
  71 12.2 122
  72 39.8 398
  73 29.4 294
  74 9.83 98
  75 32.8 328
  76 1.4 14
  77 5.9 59
  78 0.96 10
  79 2.5 25
  80 1.1 11
  83 7.6 76
  85 0.79 8
  87 15.3 153
  88 94.9 949
  89 10.7 107
  90 0.42 4
  91 5.9 59
  93 0.9 9
  94 2.3 23
  97 0.17 2
  99 4.8 48
  101 24.9 249
  102 13.8 138
  103 0.23 2
  105 4.2 42
  106 6.8 68
  107 10.2 102
  108 0.51 5
  109 2 20
  111 1.1 11
  114 1.4 14
  115 0.23 2
  117 1.1 11
  118 0.9 9
  119 1.4 14
  121 12.7 127
  122 2 20
  131 2 20
  134 0.6 6
  135 0.42 4
  136 1.4 14
  137 4.5 45
  138 0.9 9
  143 0.2 2
  149 2 20
  151 99.99 999
  152 16.1 161
  153 0.14 1
  175 2.5 25
  181 1.4 14
  182 39 390
  183 4.2 42
//