ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007915
RECORD_TITLE: 4-(2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-6-PHENYL-1,2-DIHYDROPYRIMIDIN-2-ONE; 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$NAME: 4-(2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-6-PHENYL-1,2-DIHYDROPYRIMIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H10N4O3
CH$EXACT_MASS: 282.07529
CH$SMILES: O=C(N3)NC(=O)C(=C3)C(=N2)C=C(NC(=O)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H10N4O3/c19-12-9(7-15-13(20)18-12)11-6-10(16-14(21)17-11)8-4-2-1-3-5-8/h1-7H,(H,16,17,21)(H2,15,18,19,20)
CH$LINK: INCHIKEY ZBPPVCOFAWPGSG-UHFFFAOYSA-N
AC$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: splash10-001i-4490000000-8826fcea01d66f3c7c58
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  60 1.9 19
  62 1.3 13
  63 3.7 37
  64 0.27 3
  65 2.6 26
  66 2.6 26
  67 1.9 19
  68 0.23 2
  69 4 40
  70 1.9 19
  70.5 5.5 55
  71 0.35 4
  72 3.1 31
  73 37 370
  74 1.7 17
  75 0.23 2
  76 5.4 54
  77 21.2 212
  77.5 1.5 15
  78 0.49 5
  79 1.4 14
  80 1.5 15
  81 2.8 28
  82 0.13 1
  83 2.5 25
  88 1 10
  89 2.8 28
  90 0.13 1
  91 2 20
  91.5 2.1 21
  92 2.6 26
  95 0.23 2
  96 1.3 13
  97 2.2 22
  101 2.7 27
  102 0.59 6
  103 4.2 42
  104 19.6 196
  105 13 130
  106 0.19 2
  109 1.4 14
  111 1.1 11
  113 2.4 24
  114 0.23 2
  115 2.5 25
  116 2.4 24
  117 2.2 22
  119 0.14 1
  126 1.4 14
  127 1.8 18
  128 6.3 63
  129 0.38 4
  130 1.8 18
  140 7.8 78
  141 2.8 28
  142 0.12 1
  144 1 10
  150 1.7 17
  152 1.1 11
  153 0.1 1
  154 1.1 11
  155 7.4 74
  156 3.6 36
  167 0.23 2
  168 3.7 37
  169 2.2 22
  171 1.2 12
  172 0.11 1
  178 3.3 33
  182 2.3 23
  183 7.8 78
  184 0.96 10
  185 1.9 19
  195 1.7 17
  196 4.4 44
  197 0.35 4
  198 1.3 13
  209 1.2 12
  210 18.4 184
  211 5.29 53
  212 16.7 167
  213 2.5 25
  214 1.1 11
  223 0.14 1
  236 1.6 16
  237 2.7 27
  238 16.8 168
  239 0.31 3
  240 7 70
  241 1.3 13
  247 1.8 18
  253 0.61 6
  254 8.1 81
  255 1.7 17
  256 1.4 14
  264 0.1 1
  266 1.1 11
  281 59.9 599
  282 99.99 999
  283 2.18 22
  284 3.4 34
//
