ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000792
RECORD_TITLE: 3-AMINO-1-METHYL-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$NAME: 3-AMINO-1-METHYL-5H-PYRIDO(4,3-B)INDOLE
CH$NAME: TRP-P-2
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H11N3
CH$EXACT_MASS: 197.09530
CH$SMILES: CC1=C2C3=CC=CC=C3NC2=CC(=N1)N
CH$IUPAC: InChI=1S/C12H11N3/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7/h2-6,15H,1H3,(H2,13,14)
CH$LINK: INCHIKEY LKKMLIBUAXYLOY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5043768
AC$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: splash10-0002-3900000000-8ba44f186f86b672eda5
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  41 3.96 40
  42 4.26 43
  43 4.92 49
  44 5.64 56
  45 1.32 13
  50 2.64 26
  51 3.72 37
  52 2.28 23
  53 1.02 10
  55 3 30
  56 1.5 15
  57 0.03 0
  58 2.4 24
  60 1.2 12
  62 2.34 23
  63 4.44 44
  64 2.88 29
  65 1.8 18
  67 1.62 16
  69 1.98 20
  70 2.28 23
  71 4.68 47
  72 1.5 15
  73 1.92 19
  74 2.94 29
  75 4.62 46
  76 4.2 42
  77 7.74 77
  78 2.76 28
  79 1.5 15
  81 1.26 13
  83 1.38 14
  84 6.3 63
  85 21.48 215
  86 1.68 17
  87 0.18 2
  88 1.92 19
  89 2.4 24
  90 1.74 17
  91 2.16 22
  97 1.08 11
  98 16.38 164
  99 3.72 37
  100 3.18 32
  101 7.26 73
  102 5.16 52
  103 2.64 26
  113 0.18 2
  114 2.88 29
  115 8.52 85
  116 3.72 37
  117 1.68 17
  125 1.86 19
  126 4.14 41
  127 11.22 112
  128 10.38 104
  129 6.24 62
  130 3.78 38
  131 1.32 13
  140 0.39 4
  141 2.4 24
  142 5.58 56
  143 2.28 23
  152 4.62 46
  153 8.4 84
  154 6.96 70
  155 16.08 161
  156 6.24 62
  157 24.6 246
  168 3.18 32
  169 16.2 162
  170 13.26 133
  179 20.82 208
  180 28.37 284
  181 2.94 29
  182 0.18 2
  196 8.94 89
  197 99.99 999
  198 19.2 192
  199 1.38 14
//
