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MassBank Record: PT109930

5,6-Dihydrouracil, 5,6-Dihydro-2,4-dihydroxypyrimidine, 2,4-Dioxotetrahydropyrimidine, Hydrouracil, 1,3-diazinane-2,4-dione; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT109930
RECORD_TITLE: 5,6-Dihydrouracil, 5,6-Dihydro-2,4-dihydroxypyrimidine, 2,4-Dioxotetrahydropyrimidine, Hydrouracil, 1,3-diazinane-2,4-dione; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 5,6-Dihydrouracil
CH$NAME: 5,6-Dihydro-2,4-dihydroxypyrimidine
CH$NAME: 2,4-Dioxotetrahydropyrimidine
CH$NAME: Hydrouracil
CH$NAME: 1,3-diazinane-2,4-dione
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Uracil
CH$FORMULA: C4H6N2O2
CH$EXACT_MASS: 114.104
CH$SMILES: C1CNC(=O)NC1=O
CH$IUPAC: InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
CH$LINK: CAS 504-07-4
CH$LINK: INCHIKEY OIVLITBTBDPEFK-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 115.05073

PK$SPLASH: splash10-014i-5900000000-53ea361c86b4f9fa284b
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  55.0205 2.177 48
  70.0293 4.909 109
  72.0452 5.301 118
  73.0482 1.485 33
  73.9313 2.823 63
  87.048 2.24 50
  98.0239 4.715 105
  99.5091 2.866 64
  115.0507 45.06 999
//

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