ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004437
RECORD_TITLE: 4,6-DICHLORO-5-CYANOPYRIMIDINE; 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$NAME: 4,6-DICHLORO-5-CYANOPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5HCl2N3
CH$EXACT_MASS: 172.95475
CH$SMILES: N#Cc(c(Cl)1)c(Cl)ncn1
CH$IUPAC: InChI=1S/C5HCl2N3/c6-4-3(1-8)5(7)10-2-9-4/h2H
CH$LINK: INCHIKEY IPEBKIMUIHKZJP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60344775
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$SPLASH: splash10-00b9-5900000000-6f8d1e5bf2d5f8385ea6
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  39 1.7 17
  40 0.3 3
  41 0.3 3
  42 0.07 1
  44 1.5 15
  47 6.1 61
  48 1.1 11
  49 0.18 2
  50 7.4 74
  51 4.5 45
  52 1.5 15
  53 0.06 1
  56 1.5 15
  57 0.5 5
  59 0.7 7
  61 0.15 2
  62 2.9 29
  63 0.5 5
  64 0.9 9
  67 0.07 1
  71 0.5 5
  72 0.6 6
  73 3.8 38
  74 0.19 2
  75 0.5 5
  76 29.9 299
  77 52.6 526
  78 0.24 2
  79 0.3 3
  85 23.7 237
  86 1.3 13
  87 0.86 9
  88 0.5 5
  89 0.4 4
  94 0.9 9
  95 0.05 1
  102 0.7 7
  104 0.3 3
  105 0.2 2
  106 0.03 0
  107 0.3 3
  111 20.7 207
  112 5.7 57
  113 0.66 7
  114 1.7 17
  123 0.6 6
  124 1.2 12
  138 6.71 67
  139 4.9 49
  140 22.9 229
  141 1.3 13
  142 0.03 0
  153 1 10
  154 0.1 1
  155 0.4 4
  173 99.99 999
  174 7.7 77
  175 65.7 657
  176 5 50
  177 1.14 11
  178 0.7 7
//
