ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000440
RECORD_TITLE: 2,3-DIMETHYL-7-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$NAME: 2,3-DIMETHYL-7-NITROINDOLE
CH$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)11-10-8(6)4-3-5-9(10)12(13)14/h3-5,11H,1-2H3
CH$LINK: INCHIKEY ONCCVOJTXZBTDY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90194003

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$SPLASH: splash10-0006-8900000000-49f2a085293f933d63d6
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  45 26.8 268
  50 3 30
  51 6.3 63
  52 0.37 4
  53 5.2 52
  54 3.1 31
  55 18.4 184
  56 0.92 9
  57 36.6 366
  60 16.7 167
  63 4.4 44
  65 0.47 5
  67 7.5 75
  68 6 60
  69 41.1 411
  70 0.74 7
  71 14 140
  73 16.4 164
  74 3.4 34
  75 0.34 3
  77 11.3 113
  79 4.5 45
  81 13.4 134
  82 0.37 4
  83 11.3 113
  84 3.8 38
  85 6.3 63
  89 0.38 4
  91 10.1 101
  93 3 30
  95 6.3 63
  97 0.71 7
  98 3 30
  101 3.5 35
  102 5 50
  103 0.35 4
  115 21.1 211
  116 7.7 77
  117 7.4 74
  128 0.66 7
  129 14 140
  132 3.9 39
  142 6.3 63
  143 4.2 42
  144 62.5 625
  145 6 60
  149 4.7 47
  160 0.33 3
  175 15.8 158
  189 32.1 321
  190 99.99 999
  191 12.3 123
//