ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002037
RECORD_TITLE: 5-FORMYL-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$NAME: 5-FORMYL-4,6-DIHYDROXYPYRIMIDINE
CH$NAME: 4,6-DIHYDROXYPYRIMIDINE-5-CARBALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₄N₂O₃
CH$EXACT_MASS: 140.02219
CH$SMILES: O=Cc(c(O)1)c(O)ncn1
CH$IUPAC: InChI=1S/C5H4N2O3/c8-1-3-4(9)6-2-7-5(3)10/h1-2H,(H2,6,7,9,10)
CH$LINK: INCHIKEY LJMXTWXGOCCHQO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20931524

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$SPLASH: splash10-03di-6900000000-df428dbdfec477ec9910
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  36 3.8 38
  38 1.5 15
  39 1.6 16
  40 0.21 2
  41 7.5 75
  42 10.8 108
  43 9.8 98
  44 0.87 9
  47 1.5 15
  53 3.6 36
  56 4.6 46
  57 1.93 19
  58 2.9 29
  67 2.5 25
  68 4.6 46
  69 1.7 17
  70 6.3 63
  71 7.3 73
  84 8.2 82
  112 99.99 999
  113 5.8 58
  139 1.7 17
  140 10.2 102
  141 1 10
//