ACCESSION: MSBNK-Waters-WA002108
RECORD_TITLE: Ethopropazine (oxide); LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-0002-0910000000-947c4eda40b4668873b2
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  105 27 27
  109 16 16
  114 82 82
  127 20 20
  128 35 35
  130 27 27
  145 16 16
  146 16 16
  154 360 360
  155 47 47
  162 20 20
  166 90 90
  167 31 31
  168 16 16
  169 12 12
  171 118 118
  172 24 24
  179 27 27
  180 125 125
  181 16 16
  186 31 31
  193 24 24
  194 16 16
  196 16 16
  197 90 90
  198 999 999
  199 141 141
  200 51 51
  206 55 55
  207 20 20
  208 12 12
  210 12 12
  212 27 27
  223 43 43
  224 102 102
  225 47 47
  226 12 12
  238 31 31
  239 31 31
  240 12 12
//