MassBank Record: JP003154



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

ACCESSION: JP003154
RECORD_TITLE: APROBARBITAL; 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$NAME: APROBARBITAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H14N2O3 CH$EXACT_MASS: 210.10044 CH$SMILES: C=CCC(C(C)C)(C(=O)1)C(=O)NC(=O)N1 CH$IUPAC: InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)
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: splash10-03di-0090000000-b13a014a6928d0747567 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 171 3 30 185 2 20 211 99.99 999 212 12 120 213 2 20 //