ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001986
RECORD_TITLE: 2,3,5-TRIMETHYL-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$NAME: 2,3,5-TRIMETHYL-6-NITROINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂N₂O₂
CH$EXACT_MASS: 204.08988
CH$SMILES: CC1=C(C=C2C(=C1)C(=C(N2)C)C)[N+](=O)[O-]
CH$IUPAC: InChI=1S/C11H12N2O2/c1-6-4-9-7(2)8(3)12-10(9)5-11(6)13(14)15/h4-5,12H,1-3H3
CH$LINK: INCHIKEY CEMDATHNBYHTNE-UHFFFAOYSA-N

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$SPLASH: splash10-0pbl-5920000000-b90f5d2dfbbced0aeb10
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  39 16.4 164
  41 35.5 355
  42 17.3 173
  43 2.5 25
  44 3.5 35
  45 10 100
  51 13.3 133
  52 0.62 6
  53 8.4 84
  54 3.1 31
  55 18.7 187
  56 0.42 4
  57 15.7 157
  60 6.8 68
  63 9.8 98
  64 0.31 3
  65 10.8 108
  66 2.1 21
  67 6.5 65
  68 0.92 9
  70 5.6 56
  71 6.8 68
  73 6.8 68
  75 0.31 3
  76 2.3 23
  77 16 160
  78 4.6 46
  79 0.42 4
  80 2.1 21
  81 3.3 33
  82 4.1 41
  83 0.67 7
  84 2.5 25
  85 2.9 29
  87 2.1 21
  89 0.75 8
  91 11.5 115
  93 4.6 46
  95 6.3 63
  97 0.42 4
  101 2.1 21
  102 3.2 32
  103 4.2 42
  107 0.21 2
  109 3.5 35
  114 2.5 25
  115 35.5 355
  116 0.9 9
  117 4.2 42
  119 2.3 23
  121 2.7 27
  123 0.27 3
  126 6.3 63
  127 4.2 42
  128 8.1 81
  130 1.12 11
  131 7.3 73
  132 13.3 133
  133 2.1 21
  136 0.29 3
  137 6.3 63
  140 2.1 21
  141 4.2 42
  142 1.29 13
  143 31.5 315
  144 13.5 135
  145 3.6 36
  146 0.31 3
  149 2.3 23
  154 3.8 38
  155 3.6 36
  156 3.95 40
  157 48 480
  158 61 610
  159 36 360
  160 0.32 3
  171 2.7 27
  172 9 90
  173 3.2 32
  174 1.46 15
  175 2 20
  185 2.5 25
  187 92 920
  188 0.73 7
  203 3.1 31
  204 99.99 999
  205 9.5 95
//