MassBank Record: JP003185



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

ACCESSION: JP003185
RECORD_TITLE: SECOBARBITAL; 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$NAME: SECOBARBITAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H18N2O3 CH$EXACT_MASS: 238.13174 CH$SMILES: CCCC(C)C(CC=C)(C(=O)1)C(=O)NC(=O)N1 CH$IUPAC: InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(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-cd7b7b08df2b25a36a42 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 167 3 30 168 4 40 169 4 40 195 2 20 209 3 30 239 99.99 999 240 14 140 241 1 10 //