MassBank Record: MSBNK-Waters-WA002112
ACCESSION: MSBNK-Waters-WA002112
RECORD_TITLE: Ethopropazine (oxide); LC-ESI-Q; MS; POS; 30 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0609000000-d7a63cae480a4fd6b439
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
100 43 43
114 999 999
115 51 51
198 63 63
240 98 98
256 27 27
313 889 889
314 172 172
315 51 51
329 212 212
330 39 39
331 12 12
345 168 168
346 31 31
//
system version 2.2.6-SNAPSHOT