MassBank Record: JP003155



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

ACCESSION: JP003155
RECORD_TITLE: BARBITAL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIZUMI H, FAC. OF PHARMACY, MEIJO UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BARBITAL CH$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)
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-000i-0900000000-90fb45d882d2c3ed038f PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 113 2 20 180 1 10 185 99.99 999 186 10 100 187 1 10 //