MassBank Record: JP001985



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

ACCESSION: JP001985
RECORD_TITLE: 2,3,6-TRIMETHYL-5-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$NAME: 2,3,6-TRIMETHYL-5-NITROINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12N2O2 CH$EXACT_MASS: 204.08988 CH$SMILES: [O-1][N+1](=O)c(c1)c(C)cc(n2)c1c(C)c(C)2 CH$IUPAC: InChI=1S/C11H12N2O2/c1-6-4-10-9(5-11(6)13(14)15)7(2)8(3)12-10/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$SPLASH: splash10-0pbl-9820000000-ef05d87e89b6f5bfac3f PK$NUM_PEAK: 77 PK$PEAK: m/z int. rel.int. 39 39.5 395 40 1.3 13 41 19.9 199 42 1.42 14 43 28.4 284 44 52 520 45 17 170 51 0.43 4 52 3.6 36 53 5.1 51 54 1.3 13 55 1.53 15 56 3.7 37 57 25 250 61 1.4 14 62 0.14 1 63 13 130 64 2.4 24 65 11.4 114 66 0.15 2 67 2.2 22 68 1.2 12 69 14.6 146 70 0.2 2 71 9.6 96 73 7.2 72 74 6.5 65 75 0.48 5 76 7.9 79 77 4.4 44 78 10 100 79 1.19 12 81 3.5 35 82 1.1 11 83 4.5 45 84 0.12 1 85 11.2 112 87 1.5 15 89 6.5 65 90 0.11 1 91 10.5 105 95 1.4 14 97 2.6 26 101 0.1 1 102 3.4 34 103 2.9 29 104 1 10 114 0.11 1 115 33.2 332 116 8.5 85 117 3.6 36 118 0.1 1 127 2.5 25 128 5.6 56 129 4.2 42 130 0.76 8 131 4.8 48 132 19.6 196 141 2.4 24 142 1.19 12 143 25.3 253 144 6.2 62 145 2.6 26 146 0.16 2 154 2 20 155 1.5 15 156 21.3 213 157 4.58 46 158 55.2 552 159 44.2 442 160 3.4 34 174 0.1 1 187 58 580 188 4.6 46 203 1 10 204 99.99 999 205 5.1 51 //