MassBank Record: JP001986



 2,3,5-TRIMETHYL-6-NITROINDOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001986
RECORD_TITLE: 2,3,5-TRIMETHYL-6-NITROINDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 2,3,5-TRIMETHYL-6-NITROINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12N2O2 CH$EXACT_MASS: 204.08988 CH$SMILES: [O-1][N+1](=O)c(c1)c(C)cc(c(C)2)c(nc(C)2)1 CH$IUPAC: InChI=1S/C11H12N2O2/c1-6-4-9-7(2)8(3)12-10(9)5-11(6)13(14)15/h4-5,12H,1-3H3
AC$INSTRUMENT: MX-1303 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0pbl-5920000000-b90f5d2dfbbced0aeb10 PK$NUM_PEAK: 87 PK$PEAK: m/z int. rel.int. 39 16.4 164 41 35.5 355 42 17.3 173 43 2.5 25 44 3.5 35 45 10 100 51 13.3 133 52 0.62 6 53 8.4 84 54 3.1 31 55 18.7 187 56 0.42 4 57 15.7 157 60 6.8 68 63 9.8 98 64 0.31 3 65 10.8 108 66 2.1 21 67 6.5 65 68 0.92 9 70 5.6 56 71 6.8 68 73 6.8 68 75 0.31 3 76 2.3 23 77 16 160 78 4.6 46 79 0.42 4 80 2.1 21 81 3.3 33 82 4.1 41 83 0.67 7 84 2.5 25 85 2.9 29 87 2.1 21 89 0.75 8 91 11.5 115 93 4.6 46 95 6.3 63 97 0.42 4 101 2.1 21 102 3.2 32 103 4.2 42 107 0.21 2 109 3.5 35 114 2.5 25 115 35.5 355 116 0.9 9 117 4.2 42 119 2.3 23 121 2.7 27 123 0.27 3 126 6.3 63 127 4.2 42 128 8.1 81 130 1.12 11 131 7.3 73 132 13.3 133 133 2.1 21 136 0.29 3 137 6.3 63 140 2.1 21 141 4.2 42 142 1.29 13 143 31.5 315 144 13.5 135 145 3.6 36 146 0.31 3 149 2.3 23 154 3.8 38 155 3.6 36 156 3.95 40 157 48 480 158 61 610 159 36 360 160 0.32 3 171 2.7 27 172 9 90 173 3.2 32 174 1.46 15 175 2 20 185 2.5 25 187 92 920 188 0.73 7 203 3.1 31 204 99.99 999 205 9.5 95 //