MassBank Record: JP000438



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

ACCESSION: JP000438
RECORD_TITLE: 2,3-DIMETHYL-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$NAME: 2,3-DIMETHYL-5-NITROINDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10N2O2 CH$EXACT_MASS: 190.07423 CH$SMILES: [O-1][N+1](=O)c(c2)cc(c(C)1)c(c2)nc(C)1 CH$IUPAC: InChI=1S/C10H10N2O2/c1-6-7(2)11-10-4-3-8(12(13)14)5-9(6)10/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$SPLASH: splash10-00l6-9500000000-89ac6f38d008fbfa3f1d PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 45 31.4 314 51 9.1 91 52 4.9 49 53 0.83 8 54 7.7 77 55 65.7 657 56 16.3 163 57 7.43 74 60 25.7 257 61 4.9 49 63 6 60 65 0.51 5 67 16 160 68 18.9 189 69 58 580 70 1.63 16 71 34.3 343 74 3.7 37 75 5.1 51 76 0.54 5 77 15.1 151 78 3.4 34 79 4.9 49 80 0.37 4 81 57.1 571 82 9.1 91 83 19.7 197 84 0.77 8 85 15.1 151 87 3.7 37 89 4.3 43 91 0.74 7 93 7.4 74 95 14.9 149 96 4.9 49 97 1.17 12 98 5.4 54 99 3.4 34 101 4.3 43 102 0.69 7 103 5.7 57 107 3.4 34 109 6.3 63 111 0.43 4 115 21.1 211 116 6 60 117 8 80 121 0.46 5 123 4.6 46 127 3.1 31 128 8 80 129 1.54 15 130 9.4 94 131 3.7 37 132 9.7 97 136 0.43 4 137 9.7 97 142 11.3 113 143 51.4 514 144 8 80 145 6.3 63 149 4.6 46 175 6.6 66 187 0.34 3 190 99.99 999 191 11.4 114 //