ACCESSION: MSBNK-Waters-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: CC BY-NC

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$LINK: CAS 58-93-5
CH$LINK: INCHIKEY JZUFKLXOESDKRF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020713

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 10.000 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
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
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  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
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  296 545 545
  297 55 55
  298 215 215
  299 31 31
  300 12 12
  307 74 74
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  310 8 8
  320 8 8
//