ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004486
RECORD_TITLE: 5-DIMETHYLAMINOMETHYLENEAMINO-2-MESYLPYRIMIDINE; 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$NAME: 5-DIMETHYLAMINOMETHYLENEAMINO-2-MESYLPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂N₄O₂S
CH$EXACT_MASS: 228.06810
CH$SMILES: CN(C)C=Nc(c1)cnc(n1)S(C)(=O)=O
CH$IUPAC: InChI=1S/C8H12N4O2S/c1-12(2)6-11-7-4-9-8(10-5-7)15(3,13)14/h4-6H,1-3H3/b11-6+
CH$LINK: INCHIKEY NAYHQVNVFIYDAF-IZZDOVSWSA-N
CH$LINK: COMPTOX DTXSID30337351

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$SPLASH: splash10-002f-9360000000-3f53a84579b81f5b8921
PK$NUM_PEAK: 110
PK$PEAK: m/z int. rel.int.
  38 0.3 3
  39 0.5 5
  40 1.2 12
  41 0.26 3
  42 25.8 258
  43 3 30
  44 99.99 999
  45 0.49 5
  46 1.4 14
  47 0.3 3
  48 0.7 7
  51 0.17 2
  52 4.2 42
  53 1.6 16
  54 2.2 22
  55 0.1 1
  56 4.1 41
  57 13.4 134
  58 0.7 7
  63 0.13 1
  64 0.9 9
  65 0.5 5
  66 0.9 9
  67 0.21 2
  68 1.2 12
  69 1 10
  70 0.3 3
  71 0.16 2
  74 0.5 5
  76 0.2 2
  77 2.9 29
  78 0.26 3
  79 8 80
  80 1.8 18
  81 3.8 38
  82 0.08 1
  83 2.3 23
  84 0.6 6
  91 0.1 1
  92 0.02 0
  93 0.9 9
  94 1.3 13
  95 4.9 49
  96 0.07 1
  97 0.4 4
  104 0.2 2
  105 0.5 5
  106 0.17 2
  107 2.6 26
  108 8 80
  109 1.9 19
  110 0.18 2
  111 0.4 4
  119 0.3 3
  120 1.1 11
  121 0.22 2
  122 9.7 97
  123 1.2 12
  124 3.1 31
  125 0.02 0
  126 0.2 2
  132 1.3 13
  133 1.1 11
  134 0.19 2
  135 0.6 6
  136 0.8 8
  137 0.5 5
  138 0.7 7
  139 0.5 5
  147 1.2 12
  148 6.3 63
  149 3.48 35
  150 3.7 37
  151 0.6 6
  154 0.2 2
  158 0.05 1
  160 0.2 2
  163 1.1 11
  164 0.8 8
  165 1.61 16
  166 1.6 16
  170 0.2 2
  172 2.1 21
  173 0.03 0
  174 0.1 1
  181 0.2 2
  184 0.6 6
  185 0.02 0
  186 0.4 4
  187 3.4 34
  188 0.3 3
  189 0.02 0
  196 0.8 8
  197 0.4 4
  198 3.4 34
  199 0.06 1
  200 4.3 43
  201 1.3 13
  202 0.3 3
  211 0.03 0
  212 6.1 61
  213 3.9 39
  214 0.7 7
  215 0.02 0
  226 1 10
  227 29.5 295
  228 78.7 787
  229 1.34 13
  230 4.8 48
  231 0.5 5
//