ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004455
RECORD_TITLE: 5-CARBAMOYL-4,6-DICHLOROPYRIMIDINE; 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$NAME: 5-CARBAMOYL-4,6-DICHLOROPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₃Cl₂N₃O
CH$EXACT_MASS: 190.96532
CH$SMILES: NC(=O)c(c(Cl)1)c(Cl)ncn1
CH$IUPAC: InChI=1S/C5H3Cl2N3O/c6-3-2(5(8)11)4(7)10-1-9-3/h1H,(H2,8,11)
CH$LINK: INCHIKEY QYAHLZVZKDGUAW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80344914

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$SPLASH: splash10-004i-5900000000-38559a748b7cfcf9a419
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
  35 2.7 27
  36 15.1 151
  37 0.8 8
  38 0.51 5
  39 1.8 18
  40 1.1 11
  41 0.9 9
  42 0.04 0
  43 2.4 24
  44 32.1 321
  45 0.5 5
  48 0.03 0
  49 1.1 11
  50 3.2 32
  51 9.8 98
  52 0.22 2
  53 0.5 5
  55 0.4 4
  56 0.7 7
  57 0.04 0
  58 0.2 2
  59 1.2 12
  60 1.4 14
  61 0.1 1
  62 1.1 11
  63 5.3 53
  64 0.3 3
  65 0.16 2
  66 1.1 11
  67 0.2 2
  68 0.3 3
  69 0.02 0
  71 0.3 3
  73 0.6 6
  74 0.6 6
  75 0.09 1
  76 3.1 31
  77 3.9 39
  78 1 10
  79 0.02 0
  83 0.5 5
  84 18.3 183
  85 31.3 313
  86 1.45 15
  87 10.2 102
  88 2.7 27
  89 0.5 5
  90 0.02 0
  91 0.2 2
  92 0.2 2
  93 0.6 6
  99 0.06 1
  100 0.3 3
  101 0.6 6
  102 0.9 9
  103 0.04 0
  104 0.6 6
  105 0.3 3
  106 0.3 3
  111 0.12 1
  112 0.4 4
  113 5.3 53
  114 1.5 15
  115 0.16 2
  116 0.4 4
  117 0.3 3
  119 0.3 3
  120 0.49 5
  121 0.6 6
  122 3 30
  123 0.4 4
  124 0.05 1
  126 0.6 6
  127 0.7 7
  128 0.5 5
  129 0.05 1
  130 0.6 6
  131 0.3 3
  132 0.3 3
  138 0.12 1
  139 0.3 3
  140 0.6 6
  141 0.3 3
  142 0.02 0
  143 0.2 2
  147 7.7 77
  148 4.9 49
  149 0.5 5
  150 3.2 32
  151 0.9 9
  152 0.5 5
  156 0.04 0
  157 0.3 3
  158 0.6 6
  159 0.2 2
  160 0.02 0
  161 0.6 6
  170 0.8 8
  171 0.2 2
  173 0.17 2
  175 99.99 999
  176 5.7 57
  177 60.6 606
  178 0.36 4
  179 9.8 98
  180 0.6 6
  188 0.2 2
  191 5.11 51
  192 3.6 36
  193 32.8 328
  194 2 20
  195 0.51 5
  196 0.4 4
//