MassBank Record: MSBNK-Waters-WA000338
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
//