MassBank Record: WA002308



 Chlorzoxazone; LC-ESI-Q; MS; NEG; 15 V, 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002308
RECORD_TITLE: Chlorzoxazone; LC-ESI-Q; MS; NEG; 15 V, 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Chlorzoxazone CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H4ClNO2 CH$EXACT_MASS: 168.99306 CH$SMILES: O=C(O1)Nc(c2)c(ccc(Cl)2)1 CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) CH$LINK: CAS 95-25-0
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.200 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V, 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0900000000-b4f39c1ed5cfd1b33243 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 168 999 999 169 82 82 170 333 333 171 27 27 204 12 12 206 8 8 //