ACCESSION: MSBNK-Waters-WA000337
RECORD_TITLE: Hydrochlorothiazide; LC-ESI-Q; MS; NEG; 60 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 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-05mk-0190000000-9e3660db2656a77d6640
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  101 8 8
  104 8 8
  105 39 39
  109 90 90
  111 47 47
  115 24 24
  117 16 16
  119 24 24
  121 35 35
  126 74 74
  128 31 31
  132 8 8
  133 8 8
  141 8 8
  144 8 8
  153 8 8
  168 12 12
  169 20 20
  180 8 8
  181 8 8
  183 12 12
  185 8 8
  190 8 8
  192 8 8
  195 8 8
  196 20 20
  204 59 59
  205 756 756
  206 94 94
  207 325 325
  208 24 24
  209 20 20
  215 8 8
  217 24 24
  218 16 16
  220 24 24
  222 12 12
  224 16 16
  232 78 78
  233 12 12
  234 24 24
  238 8 8
  243 8 8
  251 8 8
  257 12 12
  259 8 8
  260 20 20
  263 8 8
  269 862 862
  270 35 35
  271 423 423
  272 27 27
  273 20 20
  296 999 999
  298 482 482
  299 43 43
  300 39 39
  301 8 8
  303 12 12
  307 24 24
  309 8 8
//