MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003229
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003229
RECORD_TITLE: DIETHYLBARBITURIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 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$LINK: INCHIKEY
FTOAOBMCPZCFFF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5022643
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
//
system version 2.2.6-SNAPSHOT