ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002784
RECORD_TITLE: 5-ETHYL-5-PHENYL-HEXAHYDROPYRIMIDINE-4,6-DIONE; 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$NAME: 5-ETHYL-5-PHENYL-HEXAHYDROPYRIMIDINE-4,6-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄N₂O₂
CH$EXACT_MASS: 218.10553
CH$SMILES: CCC(C(=O)2)(C(=O)NCN2)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023510

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-8900000000-0e7a89b14902d3718a96
PK$NUM_PEAK: 131
PK$PEAK: m/z int. rel.int.
  29 17.9 179
  30 20.7 207
  31 0.6 6
  32 3.84 38
  34 0.2 2
  35 1.7 17
  36 9.3 93
  37 0.16 2
  38 4.9 49
  39 30.9 309
  40 3.3 33
  41 1.29 13
  42 11.5 115
  43 4.8 48
  44 27.9 279
  45 0.13 1
  46 0.3 3
  49 0.1 1
  50 9.3 93
  51 2.59 26
  52 6.7 67
  53 4.6 46
  54 4.3 43
  55 0.31 3
  56 3.3 33
  57 2.8 28
  58 10.9 109
  59 0.01 0
  60 0.1 1
  61 1.2 12
  62 5.1 51
  63 1.49 15
  64 4.7 47
  65 13 130
  66 1.8 18
  67 0.11 1
  68 0.9 9
  69 1.9 19
  70 1 10
  71 0.13 1
  72 0.3 3
  73 0.9 9
  74 3.3 33
  75 0.41 4
  76 5.7 57
  77 23.6 236
  78 12.9 129
  79 0.29 3
  80 0.9 9
  81 0.8 8
  82 1.3 13
  83 0.09 1
  84 0.3 3
  85 0.5 5
  86 1.3 13
  87 0.02 0
  88 2.3 23
  89 15.9 159
  90 9.8 98
  91 4.79 48
  92 4.9 49
  93 0.7 7
  94 0.3 3
  95 0.05 1
  96 0.4 4
  97 0.7 7
  98 0.7 7
  99 0.02 0
  100 0.3 3
  101 1.5 15
  102 7.3 73
  103 2.84 28
  104 8.9 89
  105 3.9 39
  106 1.5 15
  107 0.03 0
  111 0.2 2
  112 0.7 7
  113 1.4 14
  114 0.19 2
  115 34.9 349
  116 29.9 299
  117 99.99 999
  118 2.94 29
  119 12.4 124
  120 1.7 17
  125 0.9 9
  126 0.01 0
  127 1.4 14
  128 2.9 29
  129 4.4 44
  130 0.71 7
  131 7.9 79
  132 23.5 235
  133 3.4 34
  134 0.09 1
  135 0.4 4
  140 1.5 15
  141 0.9 9
  142 0.29 3
  143 6 60
  144 4.9 49
  145 9.9 99
  146 5.49 55
  147 11 110
  148 1.6 16
  149 0.7 7
  157 0.03 0
  158 6.9 69
  159 1 10
  160 4.7 47
  161 1.01 10
  162 1.4 14
  163 0.3 3
  170 0.3 3
  171 0.03 0
  172 2.2 22
  173 5.2 52
  174 4.9 49
  175 0.12 1
  176 1.9 19
  189 0.1 1
  190 8 80
  191 2.36 24
  192 3.4 34
  193 0.3 3
  203 0.3 3
  210 0.01 0
  217 0.3 3
  218 1.3 13
  219 0.4 4
//