ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005066
RECORD_TITLE: 4-PHENYL-2-(N'-PHENYLUREIDO)PYRIMIDINE-1-OXIDE; 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$NAME: 4-PHENYL-2-(N'-PHENYLUREIDO)PYRIMIDINE-1-OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₄N₄O₂
CH$EXACT_MASS: 306.11168
CH$SMILES: O=C(Nc(c3)cccc3)Nc([n+1]([O-1])2)nc(cc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H14N4O2/c22-17(18-14-9-5-2-6-10-14)20-16-19-15(11-12-21(16)23)13-7-3-1-4-8-13/h1-12H,(H2,18,19,20,22)
CH$LINK: INCHIKEY WXZOCNMWVLUOMZ-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$SPLASH: splash10-0006-9410000000-bd94dee6a8f3b565b57f
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  37 1.4 14
  38 2.6 26
  39 8.4 84
  40 0.19 2
  41 3.5 35
  42 1.4 14
  43 1.2 12
  44 2.12 21
  45 1.6 16
  45.5 1.3 13
  46.5 2.6 26
  50 0.49 5
  51 9.9 99
  52 3.2 32
  54 1.6 16
  57.5 0.11 1
  62 2.1 21
  63 6.4 64
  64 6.7 67
  65 1.28 13
  66 23.2 232
  67 2.6 26
  70 3.5 35
  74 0.19 2
  75 2.6 26
  76 4.9 49
  77 19.1 191
  78 0.32 3
  89 4.1 41
  90 4.1 41
  91 9.7 97
  92 0.78 8
  93 99.99 999
  94 7.5 75
  98 1.3 13
  101 0.17 2
  102 6.7 67
  103 4.9 49
  104 4.6 46
  105 1.88 19
  106 1.5 15
  113 6.4 64
  114 1.3 13
  115 0.61 6
  116 3.8 38
  117 3.2 32
  119 18.3 183
  120 0.17 2
  128 4.9 49
  129 6.4 64
  130 1.4 14
  142 0.19 2
  143 2.6 26
  144 1.6 16
  145 2 20
  146 0.26 3
  155 1.7 17
  165 1.1 11
  169 3.2 32
  170 2.9 29
  171 29 290
  172 3.5 35
  186 4.8 48
  187 1.74 17
  188 2 20
  197 3.6 36
  198 1.4 14
  213 4.06 41
  214 18.6 186
  215 2 20
  290 5.8 58
  291 0.1 1
  306 2.6 26
//