ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004313
RECORD_TITLE: 1,7-ETHYLENE-2,3-DIMETHYLINDOLE; 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$NAME: 1,7-ETHYLENE-2,3-DIMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H13N
CH$EXACT_MASS: 171.10480
CH$SMILES: Cc(c(C)1)c(c3)c(c(cc3)2)n(CC2)1
CH$IUPAC: InChI=1S/C12H13N/c1-8-9(2)13-7-6-10-4-3-5-11(8)12(10)13/h3-5H,6-7H2,1-2H3
CH$LINK: INCHIKEY HMDZEAHDWNDDRP-UHFFFAOYSA-N
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-4900000000-e26a3054d2531ff7a903
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
  26 3.1 31
  27 8.4 84
  29 3.1 31
  31 0.28 3
  36 1.1 11
  38 1.1 11
  39 9.8 98
  40 0.29 3
  41 8.3 83
  42 4.1 41
  43 4.8 48
  50 0.25 3
  51 7.4 74
  52 2.5 25
  53 3.3 33
  54 0.14 1
  55 4.5 45
  56 1.8 18
  57 3.2 32
  58.5 0.1 1
  60 1.2 12
  62 1.2 12
  63 5.8 58
  64 0.18 2
  65 5.8 58
  67 2.2 22
  69 2.4 24
  70 0.12 1
  71 1.4 14
  71.5 1.7 17
  74 1.6 16
  75 0.32 3
  76 2.9 29
  77 11.4 114
  77.5 4.3 43
  78 0.4 4
  79 1.5 15
  81 1.6 16
  83 1.5 15
  83.5 0.32 3
  84 1.5 15
  84.5 3.1 31
  85 1.3 13
  85.5 0.41 4
  89 5.2 52
  90 3.1 31
  91 6 60
  95 0.1 1
  97 1.1 11
  98 1.1 11
  101 2.2 22
  102 0.39 4
  103 3.2 32
  104 1 10
  114 1.3 13
  115 1 10
  116 2.7 27
  117 6.7 67
  118 8.4 84
  119 0.26 3
  126 2.2 22
  127 7.8 78
  128 14.1 141
  129 0.52 5
  130 7.6 76
  131 1.7 17
  139 2.4 24
  140 0.25 3
  141 3.6 36
  142 3.3 33
  143 6.2 62
  144 1.18 12
  145 6.2 62
  146 1.8 18
  147 2.8 28
  152 0.11 1
  153 1.7 17
  154 19.6 196
  155 10.4 104
  156 3.6 36
  157 5.3 53
  158 2.4 24
  166 1.9 19
  167 0.71 7
  168 14.5 145
  169 8 80
  170 99.99 999
  171 8.3 83
  172 11.1 111
//
