ACCESSION: MSBNK-Waters-WA000338
RECORD_TITLE: Hydrochlorothiazide; LC-ESI-Q; MS; NEG; 45 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 45 V

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

PK$SPLASH: splash10-0002-0090000000-d6d65d1a7bdbbf72008e
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  103 8 8
  104 12 12
  109 8 8
  111 31 31
  117 8 8
  128 16 16
  163 8 8
  183 8 8
  205 82 82
  206 8 8
  207 31 31
  232 16 16
  234 8 8
  245 8 8
  259 8 8
  269 247 247
  270 20 20
  271 90 90
  272 8 8
  273 8 8
  283 8 8
  296 999 999
  297 63 63
  298 396 396
  299 35 35
  300 35 35
//