ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007908
RECORD_TITLE: 2-AMINO-5-BROMO-4-PHENYLPYRIMIDINE-1-OXIDE; 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$NAME: 2-AMINO-5-BROMO-4-PHENYLPYRIMIDINE-1-OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H8BrN3O
CH$EXACT_MASS: 264.98507
CH$SMILES: Nc(n1)[n+1]([O-1])cc(Br)c1c(c2)cccc2
CH$IUPAC: InChI=1S/C10H8BrN3O/c11-8-6-14(15)10(12)13-9(8)7-4-2-1-3-5-7/h1-6H,(H2,12,13)
CH$LINK: INCHIKEY FCWOUCCHYBFFKR-UHFFFAOYSA-N
AC$INSTRUMENT: MS-902
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-3690000000-28e398669ec19a20c3fd
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  43 1.3 13
  44 1.6 16
  45 1.3 13
  47 0.13 1
  49 3.6 36
  50 4 40
  51 10.9 109
  52 0.19 2
  57 1.4 14
  62 4.7 47
  63 8.1 81
  64 0.27 3
  68 1.2 12
  71 1.3 13
  74 4 40
  75 0.51 5
  76 2.7 27
  77 21.2 212
  78 5.6 56
  78.5 0.11 1
  79 1.7 17
  83 4.7 47
  84 2.8 28
  84.5 0.51 5
  85 2.7 27
  86 1.9 19
  87 3 30
  88 0.85 9
  89 8.5 85
  90 1.4 14
  99 1.1 11
  101 0.38 4
  102 2.7 27
  103 2.4 24
  104 59.9 599
  105 2.47 25
  106 1.7 17
  113 7.7 77
  114 18 180
  115 0.69 7
  116 14.7 147
  117 8.2 82
  118 2.2 22
  121 0.14 1
  124 3.8 38
  124.5 1.6 16
  125 4.3 43
  125.5 0.11 1
  127 4.7 47
  128 5.7 57
  129 3 30
  132.5 0.34 3
  133.5 3.6 36
  141 2.8 28
  142 4.5 45
  143 0.69 7
  144 1.3 13
  155 3.2 32
  156 2.2 22
  168 0.22 2
  169 11.9 119
  170 20.2 202
  171 4 40
  180 0.14 1
  182 1.7 17
  185 1.3 13
  193 3.7 37
  194 0.13 1
  195 5.7 57
  196 1.4 14
  197 2.8 28
  219 0.21 2
  222 1.3 13
  224 4 40
  226 3.2 32
  235 0.1 1
  247 5.4 54
  248 8.2 82
  249 16.1 161
  250 0.94 9
  251 9.7 97
  252 1.1 11
  264 9.7 97
  265 99.99 999
  266 24.6 246
  267 97.2 972
  268 10.2 102
//
