ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004458
RECORD_TITLE: 5-DIMETHYLAMINOMETHYLENEAMINO-2-METHYLTHIOPYRIMIDINE; 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$NAME: 5-DIMETHYLAMINOMETHYLENEAMINO-2-METHYLTHIOPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂N₄S
CH$EXACT_MASS: 196.07827
CH$SMILES: CN(C)C=Nc(c1)cnc(SC)n1
CH$IUPAC: InChI=1S/C8H12N4S/c1-12(2)6-11-7-4-9-8(13-3)10-5-7/h4-6H,1-3H3/b11-6+
CH$LINK: INCHIKEY MDKISTZNRFJSFI-IZZDOVSWSA-N
CH$LINK: COMPTOX DTXSID10345797

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$SPLASH: splash10-0005-5900000000-74203e155a59017ee51e
PK$NUM_PEAK: 128
PK$PEAK: m/z int. rel.int.
  36 0.6 6
  38 0.7 7
  39 1.2 12
  40 0.4 4
  41 11.7 117
  42 39.5 395
  43 4.4 44
  44 6.1 61
  45 5.7 57
  46 2.5 25
  47 2.6 26
  48 0.05 1
  50 0.3 3
  51 1.8 18
  52 7.5 75
  53 0.34 3
  54 7.5 75
  55 3.9 39
  56 2.1 21
  57 0.65 7
  58 1 10
  59 1.9 19
  60 0.4 4
  65 0.04 0
  66 6 60
  67 2.8 28
  68 8.3 83
  69 0.57 6
  70 1.8 18
  71 4.5 45
  72 1.6 16
  73 0.08 1
  74 4.3 43
  75 0.3 3
  76 1.6 16
  77 0.13 1
  78 1.1 11
  79 4.2 42
  80 9.4 94
  81 1.09 11
  82 2.2 22
  83 2.3 23
  84 2.5 25
  84.5 0.22 2
  85 1 10
  86 1.4 14
  88 0.7 7
  89 0.03 0
  91 0.2 2
  92 0.5 5
  93 1.8 18
  94 0.18 2
  95 11.7 117
  96 5.7 57
  97 1.4 14
  98 0.36 4
  99 1.1 11
  100 0.6 6
  101 0.1 1
  103 0.04 0
  104 0.3 3
  105 1.2 12
  106 1.6 16
  107 0.6 6
  108 22.9 229
  109 3.7 37
  110 4.9 49
  111 0.2 2
  112 1.8 18
  113 1.7 17
  114 0.3 3
  115 0.02 0
  118 0.4 4
  119 0.9 9
  120 1.9 19
  121 0.52 5
  122 9.6 96
  123 2.7 27
  124 3.3 33
  125 0.3 3
  126 1.6 16
  127 2 20
  128 0.3 3
  132 0.05 1
  133 0.6 6
  134 1.8 18
  135 5.3 53
  136 0.78 8
  137 1 10
  138 2 20
  139 11.2 112
  140 0.49 5
  141 17.9 179
  142 1.6 16
  143 0.8 8
  146 0.05 1
  147 1.2 12
  148 1.9 19
  149 2.3 23
  150 0.1 1
  151 1.2 12
  152 8.4 84
  153 1.3 13
  154 2.4 24
  155 2.1 21
  156 1.1 11
  162 0.8 8
  163 4.88 49
  164 5.5 55
  165 0.4 4
  166 2.3 23
  167 0.07 1
  168 7.9 79
  169 1.4 14
  170 0.4 4
  178 0.07 1
  179 1.1 11
  180 3.5 35
  181 26.5 265
  182 0.28 3
  183 1.2 12
  193 1.3 13
  194 0.3 3
  195 1.14 11
  196 99.99 999
  197 13.5 135
  198 5.7 57
  199 0.5 5
//