ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000793
RECORD_TITLE: 2-AMINO-3-METHYL-9H-PYRIDO(2,3-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$NAME: 2-AMINO-3-METHYL-9H-PYRIDO(2,3-B)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₁N₃
CH$EXACT_MASS: 197.09530
CH$SMILES: CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)N
CH$IUPAC: InChI=1S/C12H11N3/c1-7-6-9-8-4-2-3-5-10(8)14-12(9)15-11(7)13/h2-6H,1H3,(H3,13,14,15)
CH$LINK: INCHIKEY IVLCGFRPPGNALI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5043766

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$SPLASH: splash10-0002-5900000000-f724b250062848518110
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  26 1.55 16
  27 5.41 54
  28 27.2 272
  29 2.01 20
  30 1.39 14
  32 2.78 28
  37 1.55 16
  38 3.71 37
  39 10.05 101
  40 2.16 22
  41 3.09 31
  42 4.79 48
  43 10.2 102
  44 1.08 11
  50 6.34 63
  51 9.58 96
  52 7.42 74
  53 3.55 36
  54 2.94 29
  55 1.24 12
  57 1.24 12
  58 1.39 14
  61 1.7 17
  62 4.48 45
  63 8.96 90
  64 3.86 39
  65 3.25 33
  66 1.85 19
  68 1.24 12
  70 1.55 16
  71 3.4 34
  72 2.01 20
  73 1.08 11
  74 4.48 45
  75 8.04 80
  76 7.11 71
  77 8.04 80
  78 1.7 17
  84 5.26 53
  85 8.19 82
  86 2.32 23
  87 3.25 33
  88 3.55 36
  89 5.26 53
  90 3.55 36
  91 2.01 20
  97 3.09 31
  98 9.58 96
  99 10.51 105
  100 2.78 28
  101 4.64 46
  102 4.17 42
  103 1.85 19
  104 1.08 11
  113 2.94 29
  114 4.79 48
  115 9.74 97
  116 4.95 50
  117 2.94 29
  118 1.39 14
  125 2.47 25
  126 4.79 48
  127 7.57 76
  128 7.11 71
  129 2.78 28
  130 1.24 12
  139 1.7 17
  140 7.42 74
  141 3.55 36
  142 4.95 50
  143 2.78 28
  144 1.08 11
  145 6.8 68
  146 1.08 11
  151 1.7 17
  152 7.57 76
  153 4.02 40
  154 4.79 48
  155 3.4 34
  156 1.55 16
  167 2.47 25
  168 6.96 70
  169 15.77 158
  170 4.02 40
  178 1.55 16
  179 15.77 158
  180 8.81 88
  181 3.55 36
  194 3.4 34
  195 7.11 71
  196 67.39 674
  197 99.99 999
  198 14.68 147
  199 1.39 14
//