ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000439
RECORD_TITLE: 2,3-DIMETHYL-6-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$NAME: 2,3-DIMETHYL-6-NITROINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀N₂O₂
CH$EXACT_MASS: 190.07423
CH$SMILES: Cc1c([nH]c2c1ccc(c2)[N+](=O)[O-])C
CH$IUPAC: InChI=1S/C10H10N2O2/c1-6-7(2)11-10-5-8(12(13)14)3-4-9(6)10/h3-5,11H,1-2H3
CH$LINK: INCHIKEY QQZPUGDUSPXQEI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20160453

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$SPLASH: splash10-05mo-9500000000-aaa44cb50c0963726b6f
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  45 68 680
  51 6.5 65
  53 3.3 33
  54 0.39 4
  55 56 560
  56 13.4 134
  57 71.8 718
  60 3.21 32
  61 3.8 38
  63 3 30
  65 3.3 33
  67 1.3 13
  68 7.2 72
  69 79.3 793
  70 11 110
  71 3.17 32
  73 21.5 215
  77 10.7 107
  79 3.7 37
  81 3.17 32
  82 7.5 75
  83 21.1 211
  84 6.5 65
  85 1.71 17
  87 3 30
  91 5.8 58
  93 3.7 37
  95 1.04 10
  96 4.5 45
  97 13.4 134
  98 3.8 38
  99 0.39 4
  101 3 30
  102 4.2 42
  103 3 30
  107 0.33 3
  109 4.2 42
  111 4.2 42
  115 19.1 191
  116 0.41 4
  117 7 70
  121 3.4 34
  128 6.5 65
  129 1.54 15
  132 4.2 42
  142 4.7 47
  143 37 370
  144 4.97 50
  145 3.7 37
  149 6 60
  160 24 240
  175 0.35 4
  189 7.3 73
  190 99.99 999
  191 15.7 157
//