MassBank Record: MSBNK-Waters-WA002109
ACCESSION: MSBNK-Waters-WA002109
RECORD_TITLE: Ethopropazine (oxide); LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
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$LINK: CAS
522-00-9
CH$LINK: INCHIKEY
CDOZDBSBBXSXLB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2023018
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 14.800 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0920000000-efcfbdaa99f19d54e7ee
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
105 24 24
114 427 427
115 20 20
154 74 74
162 31 31
166 16 16
171 24 24
180 67 67
186 16 16
197 12 12
198 999 999
199 133 133
200 51 51
206 27 27
207 24 24
208 16 16
212 55 55
213 24 24
223 12 12
224 35 35
225 47 47
226 16 16
238 12 12
239 74 74
240 51 51
//