MassBank Record: JP000796



 3-AMINO-1,4-DIMETHYL-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: 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: Nc(n3)c(C)c(n1)c(c(C)3)c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C13H13N3/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12/h3-6,16H,1-2H3,(H2,14,15)
AC$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 //