ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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)
CH$LINK: INCHIKEY WTYGAUXICFETTC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9022865

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
//