MassBank Record: PR100394



 5,6-Dihydrouracil; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100394
RECORD_TITLE: 5,6-Dihydrouracil; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (2009.09.10, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 5,6-Dihydrouracil CH$NAME: Hydrouracil CH$NAME: 5,6-Dihydro-2,4-dihydroxypyrimidine CH$NAME: 2,4-Dioxotetrahydropyrimidine CH$COMPOUND_CLASS: Pyrimidines CH$FORMULA: C4H6N2O2 CH$EXACT_MASS: 114.04293 CH$SMILES: O=C(C1)NC(=O)NC1 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$LINK: CHEMSPIDER 629 CH$LINK: KAPPAVIEW KPC00469 CH$LINK: KEGG C00429 CH$LINK: PUBCHEM CID:649 CH$LINK: INCHIKEY OIVLITBTBDPEFK-UHFFFAOYSA-N
AC$INSTRUMENT: UPLC 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: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 115.05073 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$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 87.0480 2.24 50 98.0239 4.715 105 99.5091 2.866 64 115.0507 45.06 999 //