MassBank Record: WA002108



 Ethopropazine (oxide); LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002108
RECORD_TITLE: Ethopropazine (oxide); LC-ESI-Q; MS; POS; 90 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$NAME: Ethopropazine (oxide) CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H24N2S CH$EXACT_MASS: 312.16602 CH$SMILES: CCN(CC)C(C)CN(c21)c(c3)c(ccc3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 CH$LINK: CAS 522-00-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.800 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0910000000-947c4eda40b4668873b2 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 105 27 27 109 16 16 114 82 82 127 20 20 128 35 35 130 27 27 145 16 16 146 16 16 154 360 360 155 47 47 162 20 20 166 90 90 167 31 31 168 16 16 169 12 12 171 118 118 172 24 24 179 27 27 180 125 125 181 16 16 186 31 31 193 24 24 194 16 16 196 16 16 197 90 90 198 999 999 199 141 141 200 51 51 206 55 55 207 20 20 208 12 12 210 12 12 212 27 27 223 43 43 224 102 102 225 47 47 226 12 12 238 31 31 239 31 31 240 12 12 //