MassBank Record: WA001225



 Phenobarbital; LC-ESI-Q; MS; NEG; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001225
RECORD_TITLE: Phenobarbital; LC-ESI-Q; MS; NEG; 90 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$NAME: Phenobarbital CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H12N2O3 CH$EXACT_MASS: 232.08479 CH$SMILES: CCC(C(=O)2)(C(=O)NC(=O)N2)c(c1)cccc1 CH$IUPAC: InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) CH$LINK: CAS 50-06-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.600 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0090000000-121944e741074e2a3813 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 126 8 8 144 8 8 147 12 12 166 8 8 171 8 8 231 999 999 232 133 133 233 16 16 299 16 16 305 8 8 485 16 16 //