MassBank Record: JP003156



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

ACCESSION: JP003156
RECORD_TITLE: BUTALBITAL; 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$NAME: BUTALBITAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H16N2O3 CH$EXACT_MASS: 224.11609 CH$SMILES: C=CCC(CC(C)C)(C(=O)1)C(=O)NC(=O)N1 CH$IUPAC: InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(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-0090000000-5925121d468ddb9f8890 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 168 1 10 185 2 20 225 99.99 999 226 13 130 227 2 20 //