ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008258
RECORD_TITLE: 4,7-DICHLOROBENZOPYLIMIDINE; 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$NAME: 4,7-DICHLOROBENZOPYLIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H4Cl2N2
CH$EXACT_MASS: 197.97515
CH$SMILES: Clc(c2)cc(n1)c(c2)c(Cl)nc1
CH$IUPAC: InChI=1S/C8H4Cl2N2/c9-5-1-2-6-7(3-5)11-4-12-8(6)10/h1-4H
CH$LINK: INCHIKEY FDPHWQSGEWRZOL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20287235
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$SPLASH: splash10-0ik9-3910000000-0b8a100bfc249caa2905
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  36 1.29 13
  37 4.34 43
  38 2.56 26
  49 2.59 26
  50 15.84 158
  51 3.26 33
  61 3.01 30
  62 3.2 32
  63 2.52 25
  64 4.31 43
  72 1.86 19
  73 4.71 47
  74 9.15 92
  75 13.27 133
  76 4.12 41
  81 8.22 82
  83 2.64 26
  84 2.37 24
  85 3.22 32
  86 2.42 24
  87 1.33 13
  98 1.01 10
  99 9.03 90
  100 25.3 253
  101 5.97 60
  109 3.94 39
  110 2.33 23
  111 1.29 13
  127 1.12 11
  134 1.2 12
  135 1.17 12
  136 23.79 238
  137 2.45 25
  138 7.2 72
  163 99.99 999
  164 9.13 91
  165 29.86 299
  166 2.88 29
  198 49.69 497
  199 5.22 52
  200 32.56 326
  201 3.19 32
  202 5.54 55
//
