ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002044
RECORD_TITLE: 5-ACETYL-1,2-DIHYDRO-4,6-DIHYDROXYPYRIMIDINE; 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$NAME: 5-ACETYL-1,2-DIHYDRO-4,6-DIHYDROXYPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈N₂O₃
CH$EXACT_MASS: 156.05349
CH$SMILES: CC(=O)C(=C(O)1)C(O)=NCN1
CH$IUPAC: InChI=1S/C6H8N2O3/c1-3(9)4-5(10)7-2-8-6(4)11/h7,10H,2H2,1H3,(H,8,11)
CH$LINK: INCHIKEY SHGXAQVFSPSKPP-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$SPLASH: splash10-0a4i-6900000000-18d54300517cd2c7c579
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  41 1.8 18
  42 6.3 63
  43 53.4 534
  44 1.13 11
  45 13.4 134
  46 1.6 16
  53 1.2 12
  55 0.24 2
  56 4.7 47
  60 2.6 26
  66 1.2 12
  67 0.12 1
  68 3 30
  69 19.7 197
  71 10.1 101
  73 0.13 1
  83 1.3 13
  84 3.9 39
  85 10.8 108
  86 0.31 3
  99 13.8 138
  111 2.6 26
  112 2.2 22
  126 0.2 2
  127 1.8 18
  128 3.9 39
  138 3.9 39
  139 0.82 8
  141 7.9 79
  154 3.6 36
  155 73.9 739
  156 99.99 999
  157 6.5 65
//