ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004494
RECORD_TITLE: 4-CHLORO-2-(3-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$NAME: 4-CHLORO-2-(3-NITROPHENYL)PYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H6ClN3O2
CH$EXACT_MASS: 235.01485
CH$SMILES: [O-1][N+1](=O)c(c2)cc(cc2)c(n1)nc(Cl)cc1
CH$IUPAC: InChI=1S/C10H6ClN3O2/c11-9-4-5-12-10(13-9)7-2-1-3-8(6-7)14(15)16/h1-6H
CH$LINK: INCHIKEY CXDJXNOXJBOUQW-UHFFFAOYSA-N
AC$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: splash10-000i-2960000000-15af16b46cb61bba2492
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  36 2.2 22
  37 0.7 7
  38 0.8 8
  39 0.13 1
  40 5 50
  41 0.5 5
  43 0.3 3
  44 0.49 5
  49 0.5 5
  50 6.9 69
  51 4.3 43
  52 0.44 4
  53 1 10
  57 0.4 4
  60 0.5 5
  61 0.08 1
  62 1 10
  63 1.7 17
  64 1.2 12
  65 0.04 0
  73 1.2 12
  74 2.4 24
  75 10.5 105
  76 0.87 9
  76.5 0.5 5
  77 5.9 59
  77.5 0.5 5
  81.5 0.03 0
  86 0.7 7
  87 0.5 5
  88 0.5 5
  90 0.07 1
  94 0.4 4
  94.5 2.2 22
  95.5 0.5 5
  99 0.12 1
  99.5 0.3 3
  100 1.2 12
  101 3.6 36
  102 2.08 21
  104 0.5 5
  107 0.5 5
  108 0.5 5
  111 0.05 1
  113 0.5 5
  114 0.5 5
  115 0.8 8
  116 0.05 1
  117.5 0.3 3
  126 4.3 43
  127 6.4 64
  128 0.86 9
  129 16 160
  130 1.2 12
  141 0.5 5
  142 0.28 3
  149 0.5 5
  150 0.7 7
  153 8.9 89
  154 1.28 13
  155 1.8 18
  162 3.8 38
  163 5.2 52
  164 0.15 2
  165 1.8 18
  177 8.6 86
  178 1.2 12
  179 0.31 3
  188 0.5 5
  189 99.99 999
  190 10.8 108
  191 3.19 32
  192 3.1 31
  199 1 10
  200 13.1 131
  201 0.17 2
  205 1.2 12
  218 0.3 3
  219 0.2 2
  221 0.03 0
  228 0.3 3
  235 99.6 996
  236 10.7 107
  237 3.23 32
  238 3.1 31
//
