ACCESSION: MSBNK-Waters-WA000335
RECORD_TITLE: Hydrochlorothiazide; LC-ESI-Q; MS; NEG; 90 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 90 V

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

PK$SPLASH: splash10-0ab9-0960000000-8c3b79bc713e82363ed4
PK$NUM_PEAK: 112
PK$PEAK: m/z int. rel.int.
  104 509 509
  105 278 278
  106 31 31
  114 16 16
  115 161 161
  116 114 114
  117 294 294
  119 35 35
  120 16 16
  121 548 548
  122 78 78
  124 537 537
  125 129 129
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  329 8 8
//