MassBank Record: JP003160



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

ACCESSION: JP003160
RECORD_TITLE: CHLORDIAZEPOXIDE; 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$NAME: CHLORDIAZEPOXIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H14ClN3O CH$EXACT_MASS: 299.08254 CH$SMILES: CNC(C2)=Nc(c3)c(cc(Cl)c3)C(=[N+1]([O-1])2)c(c1)cccc1 CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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-0079000000-a3045f81d776a5127fe9 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 283 7 70 284 72 720 285 16 160 286 24 240 299 9 90 300 99.99 999 301 22 220 302 35 350 303 6 60 //