ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004446
RECORD_TITLE: 2-CHLORO-5-DIMETHYLAMINOMETHYLENEAMINOPYRIMIDINE; 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$NAME: 2-CHLORO-5-DIMETHYLAMINOMETHYLENEAMINOPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H9ClN4
CH$EXACT_MASS: 184.05157
CH$SMILES: CN(C)C=Nc(c1)cnc(Cl)n1
CH$IUPAC: InChI=1S/C7H9ClN4/c1-12(2)5-11-6-3-9-7(8)10-4-6/h3-5H,1-2H3/b11-5+
CH$LINK: INCHIKEY PIJYDARGDRWFFF-VZUCSPMQSA-N
AC$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: splash10-0006-8900000000-7e594a3ad51d6eefb000
PK$NUM_PEAK: 135
PK$PEAK: m/z int. rel.int.
  36 4.6 46
  37 0.3 3
  38 1.4 14
  39 0.12 1
  40 2.3 23
  41 4.2 42
  42 34.4 344
  43 0.56 6
  44 99.99 999
  45 7.9 79
  46 2 20
  47 0.06 1
  50 0.6 6
  51 5 50
  52 11.8 118
  53 0.18 2
  54 3.4 34
  55 1.3 13
  56 1.3 13
  57 2.15 22
  58 2 20
  61 0.3 3
  62 2.2 22
  63 0.02 0
  64 0.7 7
  65 0.5 5
  66 0.6 6
  67 0.1 1
  68 1.8 18
  69 1.4 14
  70 0.5 5
  71 0.06 1
  73 0.5 5
  74 0.5 5
  75 1.4 14
  76 0.05 1
  77 2.1 21
  78 0.7 7
  78.5 9 90
  79 0.32 3
  79.5 3 30
  80 2.3 23
  81 4 40
  82 0.06 1
  83 0.9 9
  84 0.2 2
  86 8.3 83
  87 0.04 0
  88 2.8 28
  89 0.2 2
  90 0.2 2
  91 0.05 1
  92 1 10
  93 0.5 5
  94 0.3 3
  95 0.18 2
  96 0.9 9
  97 0.3 3
  98 0.5 5
  100 0.08 1
  101 0.7 7
  102 0.4 4
  103 0.2 2
  104 0.06 1
  105 0.4 4
  106 1.8 18
  107 1 10
  108 0.81 8
  109 0.6 6
  111 0.6 6
  112 0.3 3
  113 1.13 11
  114 1.5 15
  115 4 40
  116 0.7 7
  117 0.04 0
  118 0.4 4
  119 0.2 2
  120 1 10
  121 0.06 1
  122 4 40
  123 0.6 6
  125 0.2 2
  126 0.03 0
  127 1.4 14
  128 2.6 26
  129 0.8 8
  130 0.08 1
  131 0.4 4
  132 1.1 11
  133 1.3 13
  134 0.05 1
  137 0.6 6
  138 0.5 5
  139 0.4 4
  140 1.83 18
  141 3 30
  142 35.4 354
  143 3.3 33
  144 1 10
  145 0.8 8
  147 0.9 9
  148 0.5 5
  149 1.6 16
  150 1.3 13
  153 0.3 3
  154 5.2 52
  155 0.15 2
  156 14.8 148
  157 2.1 21
  158 4.6 46
  159 0.06 1
  160 1 10
  161 0.1 1
  164 0.2 2
  165 0.06 1
  166 0.4 4
  167 4.2 42
  168 8.5 85
  169 3.56 36
  170 5.5 55
  171 10.8 108
  172 0.8 8
  173 0.03 0
  174 1.3 13
  175 1.6 16
  176 0.2 2
  178 0.02 0
  181 0.5 5
  182 0.4 4
  183 56 560
  184 7.71 77
  185 25 250
  186 26 260
  187 2.3 23
//
