MassBank Record: WA002187



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

ACCESSION: WA002187
RECORD_TITLE: Promethazine (oxide); 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$NAME: Promethazine (oxide) CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H20N2S CH$EXACT_MASS: 284.13472 CH$SMILES: CN(C)C(C)CN(c21)c(c3)c(ccc3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 CH$LINK: CAS 60-87-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.220 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: splash10-0002-0960000000-68551bdc83eb4b5214e2 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 162 31 31 180 59 59 186 12 12 198 999 999 199 133 133 200 51 51 207 20 20 208 16 16 212 157 157 213 31 31 214 24 24 215 16 16 225 31 31 226 35 35 239 212 212 240 137 137 241 24 24 256 110 110 257 16 16 301 20 20 317 12 12 //