ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003679
RECORD_TITLE: 1,2,3-TRIMETHOXY-1-PHENYLPROPANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,3-TRIMETHOXY-1-PHENYLPROPANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₃
CH$EXACT_MASS: 210.12559
CH$SMILES: COCC(OC)C(OC)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H18O3/c1-13-9-11(14-2)12(15-3)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3
CH$LINK: INCHIKEY RTHWDOKITCVVIH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10342044

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-3900000000-da8c7aafd185037483e9
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  39 1.9 19
  41 2.2 22
  42 1.2 12
  43 0.51 5
  45 10 100
  46 0.5 5
  47 0.3 3
  50 0.07 1
  51 2.7 27
  52 0.9 9
  53 0.5 5
  54 0.01 0
  55 0.7 7
  56 0.5 5
  57 1 10
  58 0.17 2
  59 6.4 64
  60 0.6 6
  63 1.1 11
  65 0.22 2
  71 0.8 8
  72 0.4 4
  73 0.9 9
  74 0.06 1
  75 1 10
  76 0.6 6
  77 12.1 121
  78 0.23 2
  79 0.9 9
  85 0.3 3
  86 0.1 1
  87 0.04 0
  88 1.7 17
  89 4.5 45
  90 1.2 12
  91 1.06 11
  92 1.1 11
  93 0.8 8
  101 0.5 5
  102 0.03 0
  103 1.5 15
  104 0.5 5
  105 7.7 77
  106 0.01 0
  115 1.1 11
  116 1 10
  117 0.8 8
  118 0.06 1
  119 0.7 7
  120 0.7 7
  121 99.99 999
  122 0.09 1
  123 0.9 9
  134 1.3 13
  135 2.5 25
  136 0.02 0
  147 0.8 8
  148 0.6 6
  151 2.2 22
  152 0.02 0
  165 1.4 14
  166 0.2 2
  178 9.3 93
  179 0.14 1
  180 0.3 3
//