MassBank Record: JP003170



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

ACCESSION: JP003170
RECORD_TITLE: HEPTABARBITAL; 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$NAME: HEPTABARBITAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H18N2O3 CH$EXACT_MASS: 250.13174 CH$SMILES: CCC(C(=O)2)(C(=O)NC(=O)N2)C(C1)=CCCCC1 CH$IUPAC: InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
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: splash10-0udi-0090000000-65df1d705dbf292d1920 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 135 1 10 157 3 30 221 6 60 251 99.99 999 252 15 150 253 2 20 //