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MassBank Record: WA002111

Ethopropazine (oxide); LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002111
RECORD_TITLE: Ethopropazine (oxide); LC-ESI-Q; MS; POS; 45 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 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03di-0921000000-292ffa021fe7295e061e
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  100 12 12
  114 999 999
  115 86 86
  198 313 313
  199 35 35
  200 16 16
  212 39 39
  213 31 31
  239 16 16
  240 118 118
  241 16 16
  256 78 78
  257 12 12
  313 51 51
  314 12 12
  329 90 90
  330 20 20
  345 31 31
//

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