ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008259
RECORD_TITLE: 7-CHLOR0-4-HYDROXYBENZOPYLIMIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: 7-CHLOR0-4-HYDROXYBENZOPYLIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H5ClN2O
CH$EXACT_MASS: 180.00904
CH$SMILES: Oc(n2)c(c1)c(nc2)cc(Cl)c1
CH$IUPAC: InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
CH$LINK: INCHIKEY PMLONMIODRHERC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30286178
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-001i-3900000000-b8eadd67b9da1ad59b5b
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  28 4.21 42
  29 1.13 11
  37 3.88 39
  38 4.42 44
  39 2.42 24
  45 1.14 11
  49 1.84 18
  50 3.77 38
  52 1.71 17
  53 1.17 12
  61 3.87 39
  62 8.71 87
  63 13.78 138
  64 3.57 36
  73 6.2 62
  74 6.33 63
  75 7.29 73
  76 5.69 57
  77 1.55 16
  87 1.56 16
  88 3.05 31
  89 2.95 30
  90 9.26 93
  91 1.25 13
  97 1.84 18
  98 4.52 45
  99 1.19 12
  100 1.71 17
  110 3.12 31
  116 0.98 10
  117 8.14 81
  118 2.57 26
  124 13.69 137
  125 7.18 72
  126 17.21 172
  127 3.15 32
  128 4.29 43
  145 9.5 95
  151 3.18 32
  152 10.99 110
  153 14.5 145
  154 5.02 50
  155 4.48 45
  178 1.77 18
  179 37.19 372
  180 99.99 999
  181 21.02 210
  182 34.27 343
  183 3.23 32
//
