MassBank Record: WA001720



 Chlorproethazine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001720
RECORD_TITLE: Chlorproethazine; LC-ESI-Q; MS; POS; 60 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$NAME: Chlorproethazine CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H23ClN2S CH$EXACT_MASS: 346.12705 CH$SMILES: CCN(CC)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3 CH$LINK: CAS 84-01-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.870 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0950000000-0dec57841ad8a61afbef PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 112 20 20 114 999 999 115 43 43 196 24 24 199 8 8 200 12 12 211 16 16 212 16 16 214 51 51 215 27 27 216 16 16 223 12 12 228 74 74 229 12 12 230 8 8 232 8 8 233 12 12 239 74 74 240 16 16 241 12 12 242 8 8 244 12 12 246 110 110 247 12 12 248 43 43 255 20 20 256 27 27 272 12 12 273 8 8 274 16 16 329 8 8 345 8 8 347 27 27 349 12 12 363 12 12 //