ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000427
RECORD_TITLE: 5-BROMO-4-NITROINDOLINE; 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$NAME: 5-BROMO-4-NITROINDOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇BrN₂O₂
CH$EXACT_MASS: 241.96909
CH$SMILES: [O-1][N+1](=O)c(c(Br)1)c(C2)c(NC2)cc1
CH$IUPAC: InChI=1S/C8H7BrN2O2/c9-6-1-2-7-5(3-4-10-7)8(6)11(12)13/h1-2,10H,3-4H2
CH$LINK: INCHIKEY JJQZFMFVYQSWQX-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$SPLASH: splash10-0aou-9220000000-4c2a75a5cf8e4c92266d
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  46 1.1 11
  50 1.5 15
  51 2.6 26
  52 0.17 2
  53 2.3 23
  54 8.2 82
  55 79.4 794
  56 2.51 25
  57 99.99 999
  58 2.7 27
  58.5 1.1 11
  59 0.12 1
  60 19.2 192
  61 5 50
  62 2.1 21
  63 0.61 6
  64 1.5 15
  65 2 20
  66 1.4 14
  67 2.51 25
  68 14.6 146
  69 78.1 781
  70 18.7 187
  71 3.15 32
  72 1.2 12
  73 23.3 233
  74 1.8 18
  75 0.14 1
  76 1.4 14
  77 2.9 29
  78 2.3 23
  79 0.38 4
  80 2.9 29
  81 25.6 256
  82 21 210
  83 5.2 52
  84 23.7 237
  85 23.3 233
  86 2.9 29
  87 0.38 4
  88 1.8 18
  89 18.2 182
  90 14.6 146
  91 0.33 3
  93 2.3 23
  94 2.1 21
  95 15.5 155
  96 1.82 18
  97 36.4 364
  98 14.6 146
  99 3.2 32
  101 0.2 2
  104 1.4 14
  105 2.9 29
  107 1.5 15
  108 0.12 1
  109 7 70
  110 6.2 62
  111 11.9 119
  112 0.27 3
  113 2 20
  114 1.5 15
  115 7.8 78
  116 2.31 23
  117 27.4 274
  118 1.5 15
  119 1.1 11
  121 0.21 2
  123 4.6 46
  124 2.7 27
  125 3.6 36
  126 0.11 1
  127 2.3 23
  129 4.9 49
  132 1.5 15
  133 0.33 3
  135 1.2 12
  137 2.7 27
  138 1.8 18
  139 0.15 2
  141 1.1 11
  143 1.1 11
  149 1.2 12
  152 0.17 2
  162 1.8 18
  169 2.6 26
  194 1.1 11
  195 0.29 3
  196 17.4 174
  197 4.1 41
  198 18.3 183
  199 0.11 1
  212 1.1 11
  236 2.7 27
  237 1.1 11
  241 0.23 2
  242 74 740
  243 7.6 76
  244 69.9 699
  245 3 30
//