MassBank Record: MSBNK-Waters-WA002110
ACCESSION: MSBNK-Waters-WA002110
RECORD_TITLE: Ethopropazine (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: 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03dj-0920000000-ed81375a8b0071f96c85
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
114 999 999
115 67 67
162 20 20
180 20 20
198 725 725
199 82 82
200 35 35
207 16 16
212 67 67
213 39 39
214 12 12
225 16 16
226 16 16
239 74 74
240 118 118
241 16 16
256 43 43
329 16 16
//
system version 2.2.6-SNAPSHOT