MassBank Record: JP003164



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

ACCESSION: JP003164
RECORD_TITLE: CYCLOBARBITAL; 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$NAME: CYCLOBARBITAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16N2O3 CH$EXACT_MASS: 236.11609 CH$SMILES: CCC(C(=O)2)(C(=O)NC(=O)N2)C(C1)=CCCC1 CH$IUPAC: InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(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: splash10-000i-0090000000-87df9a30ad5b44b2d266 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 121 1 10 157 9 90 207 5 50 210 1 10 235 4 40 237 99.99 999 238 15 150 239 2 20 //