MassBank Record: WA000336



 Hydrochlorothiazide; LC-ESI-Q; MS; NEG; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000336
RECORD_TITLE: Hydrochlorothiazide; LC-ESI-Q; MS; NEG; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0aos-0490000000-ff8f1fad7b3e73af4da8 PK$NUM_PEAK: 86 PK$PEAK: m/z int. rel.int. 104 98 98 105 82 82 106 20 20 109 27 27 111 35 35 113 12 12 115 51 51 116 31 31 117 82 82 118 12 12 119 39 39 121 157 157 122 24 24 124 67 67 125 12 12 126 439 439 128 110 110 129 8 8 131 27 27 132 27 27 133 8 8 138 8 8 140 12 12 141 35 35 145 20 20 146 8 8 148 20 20 150 8 8 151 24 24 153 24 24 154 24 24 156 8 8 161 8 8 168 20 20 169 63 63 170 12 12 171 12 12 179 8 8 180 8 8 181 24 24 183 16 16 188 8 8 189 8 8 190 98 98 191 8 8 192 24 24 194 16 16 195 31 31 196 31 31 197 16 16 203 129 129 204 168 168 205 999 999 206 149 149 207 325 325 208 27 27 209 12 12 212 20 20 216 27 27 217 20 20 220 8 8 221 8 8 222 8 8 232 31 31 234 20 20 245 8 8 259 8 8 260 35 35 269 772 772 270 71 71 271 329 329 272 27 27 273 20 20 274 8 8 287 8 8 291 16 16 296 545 545 297 55 55 298 215 215 299 31 31 300 12 12 307 74 74 308 16 16 309 27 27 310 8 8 320 8 8 //