MassBank Record: JP000441



 2,3-DIMETHYL-4-NITROINDOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000441
RECORD_TITLE: 2,3-DIMETHYL-4-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$NAME: 2,3-DIMETHYL-4-NITROINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10N2O2 CH$EXACT_MASS: 190.07423 CH$SMILES: [O-1][N+1](=O)c(c2)c(c(C)1)c(cc2)nc(C)1 CH$IUPAC: InChI=1S/C10H10N2O2/c1-6-7(2)11-8-4-3-5-9(10(6)8)12(13)14/h3-5,11H,1-2H3
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$SPLASH: splash10-052f-9600000000-13cd8d288316b691a38d PK$NUM_PEAK: 76 PK$PEAK: m/z int. rel.int. 45 24.6 246 51 6.9 69 53 4.3 43 54 0.61 6 55 68.8 688 56 22.9 229 57 93.8 938 60 6.46 65 61 10.6 106 63 5.9 59 65 3.5 35 67 1.88 19 68 14.6 146 69 67.9 679 70 20.8 208 71 5.42 54 73 4.2 42 74 4.5 45 75 5 50 76 0.42 4 77 12.2 122 78 3.8 38 79 4 40 80 0.31 3 81 47.9 479 82 16.7 167 83 35.6 356 84 1.67 17 85 31.3 313 87 6.6 66 89 9.7 97 90 0.68 7 91 7.6 76 93 6.4 64 94 4 40 95 1.88 19 96 9.4 94 97 27.1 271 98 10.8 108 99 0.73 7 101 6.3 63 102 5.9 59 103 4.3 43 105 0.3 3 107 3.5 35 109 8.2 82 110 4.3 43 111 1.06 11 112 4 40 113 5.6 56 116 6.1 61 117 0.59 6 121 4.5 45 123 7.1 71 125 4.2 42 127 0.4 4 128 7 70 129 18.8 188 135 3 30 136 0.45 5 137 8.9 89 141 3.8 38 142 13.2 132 143 99.99 999 144 35.4 354 145 7.3 73 149 16.7 167 159 0.3 3 160 7 70 173 72.9 729 174 5.9 59 178 0.33 3 185 3.6 36 189 3 30 190 91.7 917 191 8.7 87 //