ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$SMILES: CC1=C(NC2=C1C(=CC=C2)[N+](=O)[O-])C
CH$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
CH$LINK: INCHIKEY PQVLMUJSDORONP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00343262
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
//
