ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002040
RECORD_TITLE: 5-ACETYL-3,4-DIHYDRO-6-HYDROXYPYRIMIDIN-4-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$NAME: 5-ACETYL-3,4-DIHYDRO-6-HYDROXYPYRIMIDIN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆N₂O₃
CH$EXACT_MASS: 154.03784
CH$SMILES: CC(=O)C(=C(O)1)C(=O)NC=N1
CH$IUPAC: InChI=1S/C6H6N2O3/c1-3(9)4-5(10)7-2-8-6(4)11/h2H,1H3,(H2,7,8,10,11)
CH$LINK: INCHIKEY PYJZBCIQPVBBPY-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$SPLASH: splash10-000i-4900000000-77f464783e8c7108a029
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  36 4.3 43
  38 1.3 13
  39 1.9 19
  40 0.19 2
  41 2.8 28
  42 4 40
  43 18.1 181
  44 1.61 16
  45 1 10
  53 1.2 12
  55 1.9 19
  56 0.23 2
  57 2.3 23
  66 1.3 13
  67 2 20
  68 0.37 4
  69 14.3 143
  70 1.3 13
  71 26.9 269
  83 0.29 3
  84 5.9 59
  85 1.6 16
  92 2.2 22
  111 0.13 1
  112 8.9 89
  125 1.9 19
  126 1.3 13
  137 0.19 2
  139 99.99 999
  140 5.7 57
  141 1 10
  151 0.1 1
  153 7.3 73
  154 48.9 489
  155 5.5 55
//