ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004332
RECORD_TITLE: 3-(2-AMINOETHYL)-1,7-ETHYLENE-2-METHYLINDOLE; 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$NAME: 3-(2-AMINOETHYL)-1,7-ETHYLENE-2-METHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16N2
CH$EXACT_MASS: 200.13135
CH$SMILES: NCCc(c(C)1)c(c3)c(c(cc3)2)n(CC2)1
CH$IUPAC: InChI=1S/C13H16N2/c1-9-11(5-7-14)12-4-2-3-10-6-8-15(9)13(10)12/h2-4H,5-8,14H2,1H3
CH$LINK: INCHIKEY HJVGFIVXXPMEQG-UHFFFAOYSA-N
AC$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: splash10-0q29-2910000000-0cf2d38e90cc5868c0e3
PK$NUM_PEAK: 111
PK$PEAK: m/z int. rel.int.
  27 3.6 36
  30 2.2 22
  38 2.1 21
  39 0.93 9
  40 1.7 17
  41 4.4 44
  42 3.9 39
  43 0.1 1
  50 3.3 33
  51 7.2 72
  52 3.6 36
  53 0.29 3
  54 3.9 39
  55 8 80
  56 2.4 24
  57 0.13 1
  58.5 6.6 66
  59 1.3 13
  61 1.1 11
  62 0.41 4
  63 12.7 127
  64 4.8 48
  65 6.9 69
  65.5 0.13 1
  66 1.2 12
  67 1.2 12
  68 1.4 14
  71.5 0.13 1
  74 1.6 16
  75 2.8 28
  77 11.2 112
  77.5 0.18 2
  78 3.9 39
  78.5 1.2 12
  79 1.8 18
  80 0.14 1
  81 1.4 14
  82 2.5 25
  83.5 2.1 21
  84.5 0.22 2
  85 1 10
  86 1 10
  87 1.8 18
  88 0.22 2
  89 23 230
  90 32.9 329
  91 15.8 158
  92 0.17 2
  98 3.5 35
  99 2 20
  101 2 20
  102 0.39 4
  103 5.7 57
  104 2.3 23
  105 1.5 15
  114 0.17 2
  115 12.4 124
  116 11.5 115
  117 97.6 976
  118 3.18 32
  119 14 140
  120 1.4 14
  126 1.4 14
  127 0.63 6
  128 11.5 115
  129 6.4 64
  130 24.2 242
  131 0.93 9
  132 9.3 93
  133 1.3 13
  139 1.4 14
  140 0.18 2
  141 4.1 41
  142 6.3 63
  143 13.3 133
  144 3.98 40
  145 9.3 93
  146 2.8 28
  147 1 10
  152 0.1 1
  153 1.6 16
  154 12.1 121
  155 6.8 68
  156 5 50
  157 20.2 202
  158 61.4 614
  159 24.2 242
  160 0.3 3
  166 1.3 13
  167 5 50
  168 9.3 93
  169 0.66 7
  170 99.99 999
  171 17.1 171
  172 3.8 38
  173 0.2 2
  180 1.8 18
  181 2.1 21
  182 8.3 83
  183 0.68 7
  184 8.1 81
  185 11.2 112
  186 1.6 16
  193 0.11 1
  195 5 50
  196 5.5 55
  197 15.9 159
  198 2.75 28
  199 23.6 236
  200 89.8 898
  201 12.7 127
//
