MassBank Record: JP003229



 DIETHYLBARBITURIC ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003229
RECORD_TITLE: DIETHYLBARBITURIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYLBARBITURIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H12N2O3 CH$EXACT_MASS: 184.08479 CH$SMILES: CCC(CC)(C(=O)1)C(=O)NC(=O)N1 CH$IUPAC: InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13) CH$LINK: INCHIKEY FTOAOBMCPZCFFF-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6D 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: splash10-052f-9500000000-856a7fe5dbfd28d00c38 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 39 85 850 41 88 880 44 38 380 53 27 270 55 66 660 69 33 330 70 27 270 83 32 320 98 30 300 112 27 270 141 86 860 155 46 460 156 99.99 999 184 7 70 //