MassBank Record: WA001144



 Chlorthalidone; LC-ESI-Q; MS; POS; 30 V, 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001144
RECORD_TITLE: Chlorthalidone; LC-ESI-Q; MS; POS; 30 V, 45 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$NAME: Chlorthalidone CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H11ClN2O4S CH$EXACT_MASS: 338.01281 CH$SMILES: O=C(N1)c(c3)c(ccc3)C(O)1c(c2)cc(c(Cl)c2)S(N)(=O)=O CH$IUPAC: InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21) CH$LINK: CAS 77-36-1
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.900 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE 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 30 V, 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0109000000-3404a8c6f414e4c0e1fb PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 107 145 145 128 8 8 130 47 47 142 59 59 148 24 24 163 90 90 180 8 8 289 8 8 321 274 274 322 999 999 323 215 215 324 341 341 325 35 35 326 12 12 339 106 106 340 12 12 341 35 35 356 43 43 358 16 16 361 20 20 377 78 78 379 31 31 380 31 31 381 8 8 382 12 12 //