MassBank Record: JP003178



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

ACCESSION: JP003178
RECORD_TITLE: PENTOBARBITAL; 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$NAME: PENTOBARBITAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H18N2O3 CH$EXACT_MASS: 226.13174 CH$SMILES: CCCC(C)C(CC)(C(=O)1)C(=O)NC(=O)N1 CH$IUPAC: InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
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: splash10-004i-0090000000-0f97406e79f836abc074 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 180 1 10 227 99.99 999 228 12 120 //