ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000443
RECORD_TITLE: 5-HYDROXY-1,2-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$NAME: 5-HYDROXY-1,2-DIMETHYL-4-NITROINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀N₂O₃
CH$EXACT_MASS: 206.06914
CH$SMILES: [O-1][N+1](=O)c(c(O)2)c(c1)c(cc2)n(C)c(C)1
CH$IUPAC: InChI=1S/C10H10N2O3/c1-6-5-7-8(11(6)2)3-4-9(13)10(7)12(14)15/h3-5,13H,1-2H3
CH$LINK: INCHIKEY AAHRWLRCEUVGFY-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$SPLASH: splash10-0a4i-9320000000-74296e852fa54b5c1063
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  41 29.5 295
  43 38 380
  44 5.5 55
  45 2 20
  50 1.3 13
  51 3.6 36
  52 2 20
  53 0.37 4
  54 3.7 37
  55 28.5 285
  56 17.1 171
  57 3.12 31
  60 17.1 171
  61 3 30
  62 1 10
  63 0.65 7
  64 2 20
  65 6.4 64
  66 3.8 38
  67 0.86 9
  68 7 70
  69 64 640
  70 6.8 68
  71 1.43 14
  73 15.2 152
  74 1.5 15
  75 2.4 24
  76 0.28 3
  77 13.3 133
  78 4.7 47
  79 3.7 37
  80 0.21 2
  81 24 240
  82 4.5 45
  83 11.4 114
  84 0.38 4
  85 7 70
  87 2 20
  88 1 10
  89 1.05 11
  90 5.9 59
  91 7.1 71
  92 2.1 21
  93 0.34 3
  94 1.4 14
  95 7 70
  97 7.2 72
  98 0.26 3
  99 1.4 14
  101 1.4 14
  102 1.9 19
  103 0.58 6
  104 3.1 31
  105 2.8 28
  106 1.2 12
  107 0.18 2
  109 3.2 32
  110 1.3 13
  111 3 30
  112 0.1 1
  113 1 10
  115 1.9 19
  116 5.4 54
  117 0.72 7
  118 3 30
  119 3.3 33
  121 2 20
  123 0.29 3
  125 1.1 11
  129 6.3 63
  130 22 220
  131 3.72 37
  132 11.5 115
  133 5.2 52
  135 1.5 15
  136 0.2 2
  137 4.4 44
  143 2.5 25
  144 1.6 16
  145 1.8 18
  146 2 20
  147 1.5 15
  148 9.5 95
  149 0.47 5
  150 1.9 19
  158 3.7 37
  160 4.8 48
  161 0.29 3
  173 4.4 44
  176 9.5 95
  189 2.8 28
  205 0.2 2
  206 99.99 999
  207 10 100
//