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MassBank Record: WA002109

Ethopropazine (oxide); LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: 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
//

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