ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004475
RECORD_TITLE: 4-(2-HYDROXY-5-NITROPHENYL)PYRIMIDINE; 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$NAME: 4-(2-HYDROXY-5-NITROPHENYL)PYRIMIDINE
CH$NAME: 4-NITRO-2-(4-PYRIMIDINYL)PHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₇N₃O₃
CH$EXACT_MASS: 217.04874
CH$SMILES: [O-1][N+1](=O)c(c2)cc(c(O)c2)c(c1)ncnc1
CH$IUPAC: InChI=1S/C10H7N3O3/c14-10-2-1-7(13(15)16)5-8(10)9-3-4-11-6-12-9/h1-6,14H
CH$LINK: INCHIKEY BCOZEBFOJIVOOU-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$SPLASH: splash10-014i-3490000000-eebfebbd5f8d49b2a1a5
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  53 2.4 24
  54 1.5 15
  61 0.8 8
  62 0.37 4
  63 8.1 81
  64 1.5 15
  65 1.4 14
  66 0.07 1
  71 1.4 14
  71.5 0.9 9
  74 0.9 9
  75 0.1 1
  77 1.4 14
  78 1.5 15
  79 3.9 39
  80 0.09 1
  83 2.2 22
  85 1.3 13
  86 1 10
  87 0.14 1
  88 2 20
  89 8.8 88
  90 3.5 35
  91 0.08 1
  92 0.5 5
  104 0.8 8
  105 2.8 28
  115 0.14 1
  116 10.3 103
  117 2.2 22
  118 0.7 7
  131 0.14 1
  141 0.8 8
  142 4.4 44
  143 13.3 133
  144 0.27 3
  149 0.7 7
  159 0.8 8
  170 1.4 14
  171 0.55 6
  172 1 10
  187 11.4 114
  188 1.4 14
  215 0.07 1
  216 2.4 24
  217 99.99 999
  218 10.5 105
//