MassBank Record: WA000287



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

ACCESSION: WA000287
RECORD_TITLE: Quinidine; 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$NAME: Quinidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H24N2O2 CH$EXACT_MASS: 324.18378 CH$SMILES: COc(c4)cc(c3c4)c(ccn3)C(O)C([H])(C1)N(C2)CC(C=C)C(C2)1 CH$IUPAC: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 CH$LINK: CAS 56-54-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.300 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: splash10-004i-0319000000-59535b478b36eab73d21 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 108 16 16 110 90 90 122 12 12 124 8 8 134 16 16 136 12 12 138 8 8 160 94 94 161 8 8 162 8 8 166 39 39 172 16 16 173 8 8 174 16 16 184 67 67 185 12 12 186 20 20 188 8 8 189 12 12 198 35 35 199 8 8 226 8 8 227 8 8 252 8 8 253 51 51 254 12 12 264 27 27 265 8 8 278 8 8 279 24 24 307 110 110 308 24 24 325 999 999 326 227 227 //