ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000796
RECORD_TITLE: 3-AMINO-1,4-DIMETHYL-5H-PYRIDO(4,3-B)INDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 3-AMINO-1,4-DIMETHYL-5H-PYRIDO(4,3-B)INDOLE
CH$NAME: TRP-P-1
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₃N₃
CH$EXACT_MASS: 211.11095
CH$SMILES: CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N
CH$IUPAC: InChI=1S/C13H13N3/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12/h3-6,16H,1-2H3,(H2,14,15)
CH$LINK: INCHIKEY LVTKHGUGBGNBPL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0043767

AC$INSTRUMENT: VARIAN MAT-44S
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01ox-6920000000-bc93105c1d081ec984b7
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
  41 8.47 85
  42 33.77 338
  43 10.35 104
  44 8.37 84
  45 1.98 20
  50 6.49 65
  51 10.35 104
  52 6.68 67
  53 3.01 30
  54 4.7 47
  55 4.7 47
  56 2.82 28
  57 6.4 64
  58 4.05 41
  59 1.22 12
  60 1.51 15
  61 2.07 21
  62 7.34 73
  63 15.99 160
  64 7.15 72
  65 8.84 88
  66 3.01 30
  67 2.73 27
  68 0.16 2
  69 6.68 67
  70 11.01 110
  71 3.57 36
  72 2.16 22
  73 2.92 29
  74 5.08 51
  75 8 80
  76 0.08 1
  77 17.69 177
  78 9.78 98
  79 4.61 46
  80 1.22 12
  81 2.07 21
  82 2.82 28
  83 11.29 113
  84 17.97 180
  85 4.14 41
  86 3.57 36
  87 6.21 62
  88 9.22 92
  89 12.32 123
  90 8.37 84
  91 37.06 371
  92 0.63 6
  93 1.03 10
  95 1.41 14
  96 4.05 41
  97 0.96 10
  98 6.4 64
  99 4.61 46
  100 3.39 34
  101 6.21 62
  102 4.52 45
  103 3.86 39
  104 11.29 113
  105 44.78 448
  106 3.67 37
  111 1.51 15
  112 1.6 16
  113 8.28 83
  114 11.29 113
  115 32.83 328
  116 9.5 95
  117 8.09 81
  118 1.88 19
  125 2.16 22
  126 3.86 39
  127 8.75 88
  128 9.41 94
  129 5.46 55
  130 4.8 48
  131 1.41 14
  137 1.13 11
  138 2.54 25
  139 11.29 113
  140 18.53 185
  141 8.94 89
  142 21.54 215
  143 11.29 113
  144 2.92 29
  149 1.41 14
  151 1.03 10
  152 3.48 35
  153 4.14 41
  154 10.91 109
  155 8.94 89
  156 3.95 40
  157 3.86 39
  158 1.13 11
  164 2.26 23
  165 2.54 25
  166 10.25 103
  167 11.85 119
  168 11.95 120
  169 13.26 133
  170 5.46 55
  171 14.02 140
  172 1.69 17
  179 10.54 105
  180 4.89 49
  181 3.29 33
  182 3.79 38
  183 14.86 149
  184 0.47 5
  191 1.13 11
  192 5.93 59
  193 27.28 273
  194 11.57 116
  195 9.41 94
  196 9.13 91
  197 10.16 102
  198 0.16 2
  208 1.41 14
  209 1.13 11
  210 25.78 258
  211 99.99 999
  212 15.71 157
  213 1.41 14
//