MassBank Record: JP000792



 3-AMINO-1-METHYL-5H-PYRIDO(4,3-B)INDOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: Nc(n3)cc(n1)c(c(C)3)c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C12H11N3/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7/h2-6,15H,1H3,(H2,13,14)
AC$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 //