MassBank Record: WA000705



 Piretanide; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000705
RECORD_TITLE: Piretanide; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Piretanide CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H18N2O5S CH$EXACT_MASS: 362.09364 CH$SMILES: OC(=O)c(c1)cc(S(N)(=O)=O)c(Oc(c3)cccc3)c1N(C2)CCC2 CH$IUPAC: InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23) CH$LINK: CAS 55837-27-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 16.200 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0059000000-1b9b1bf19aead16caeff PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 196 20 20 204 8 8 210 27 27 236 27 27 237 39 39 238 262 262 239 27 27 240 71 71 241 8 8 264 16 16 281 12 12 282 223 223 283 35 35 343 8 8 346 16 16 361 24 24 363 999 999 364 145 145 365 63 63 366 8 8 401 20 20 //