MassBank Record: JP003180



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

ACCESSION: JP003180
RECORD_TITLE: PHENOBARBITAL; 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$NAME: PHENOBARBITAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H12N2O3 CH$EXACT_MASS: 232.08479 CH$SMILES: CCC(C(=O)2)(C(=O)NC(=O)N2)c(c1)cccc1 CH$IUPAC: InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
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: splash10-001i-0090000000-55265fc1e12027dc6454 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 121 2 20 139 1 10 181 1 10 204 2 20 232 2 20 233 99.99 999 234 15 150 235 2 20 //