ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$SMILES: CC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C
CH$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
CH$LINK: INCHIKEY LKIMRQIKTONPER-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20175562
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
//
