ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004320
RECORD_TITLE: 3-(2-AMINOETHYL)-1,2-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$NAME: 3-(2-AMINOETHYL)-1,2-DIMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16N2
CH$EXACT_MASS: 188.13135
CH$SMILES: NCCc(c(C)1)c(c2)c(ccc2)n(C)1
CH$IUPAC: InChI=1S/C12H16N2/c1-9-10(7-8-13)11-5-3-4-6-12(11)14(9)2/h3-6H,7-8,13H2,1-2H3
CH$LINK: INCHIKEY KBEZJUQXXJDBDZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80170275
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$SPLASH: splash10-0a4i-4900000000-2d30b927e9b6d69cf618
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  26 3 30
  27 2.1 21
  29 4 40
  30 0.49 5
  31 3.7 37
  36 1.3 13
  39 5.3 53
  40 0.31 3
  41 8.2 82
  42 5 50
  43 11.4 114
  50 0.1 1
  51 2.1 21
  53 1.3 13
  54 1.3 13
  55 0.66 7
  56 3 30
  57 4.2 42
  60 1.8 18
  63 0.14 1
  65 1.6 16
  67 2.8 28
  68 1.3 13
  69 0.32 3
  70 1.6 16
  71 2 20
  73 1.2 12
  75 0.11 1
  76 2 20
  77 4.3 43
  78 1.4 14
  79 0.18 2
  81 2 20
  82 1.2 12
  83 1.9 19
  84 0.11 1
  85 1.1 11
  89 1.9 19
  90 1.1 11
  91 0.42 4
  93 1 10
  95 1.3 13
  97 1.3 13
  98 0.13 1
  101 1.4 14
  102 3.7 37
  103 1.4 14
  115 0.99 10
  116 3.9 39
  117 3.6 36
  118 1.2 12
  127 0.16 2
  128 4.1 41
  129 3.1 31
  130 2.6 26
  131 0.11 1
  140 1.1 11
  142 4.7 47
  143 17 170
  144 0.66 7
  145 1.4 14
  154 1.3 13
  156 5.5 55
  157 0.83 8
  158 99.99 999
  159 22.7 227
  160 2 20
  170 0.14 1
  171 1.5 15
  186 1.4 14
  188 15.6 156
  189 2.2 22
//
