ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009734
RECORD_TITLE: BARBITURIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: BARBITURIC ACID
CH$NAME: 2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₄N₂O₃
CH$EXACT_MASS: 128.02219
CH$SMILES: O=C(C1)NC(=O)NC(=O)1
CH$IUPAC: InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
CH$LINK: INCHIKEY HNYOPLTXPVRDBG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020129

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002f-9500000000-e1223bb8d4414dc44ce0
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  28 1.73 17
  42 99.99 999
  43 5.03 50
  44 4.22 42
  60 1.19 12
  69 3.43 34
  85 25.85 259
  100 5.68 57
  128 83.8 838
  129 4.77 48
//