MassBank Record: WA000339



 Hydrochlorothiazide; 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: WA000339
RECORD_TITLE: Hydrochlorothiazide; 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$NAME: Hydrochlorothiazide CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H8ClN3O4S2 CH$EXACT_MASS: 296.96447 CH$SMILES: Clc(c2)c(cc(c12)S(=O)(=O)NCN1)S(N)(=O)=O CH$IUPAC: InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13) CH$LINK: CAS 58-93-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 10.000 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: splash10-0002-0090000000-2a18d61b968230bf7398 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 115 8 8 118 8 8 123 12 12 129 12 12 137 8 8 162 8 8 170 8 8 189 8 8 205 8 8 269 8 8 296 999 999 297 27 27 298 404 404 299 35 35 300 31 31 301 8 8 //