ACCESSION: MSBNK-Waters-WA002246
RECORD_TITLE: Etymemazine (oxide); LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Etymemazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₆N₂S
CH$EXACT_MASS: 326.18167
CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc(CC)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C20H26N2S/c1-5-16-10-11-20-18(12-16)22(14-15(2)13-21(3)4)17-8-6-7-9-19(17)23-20/h6-12,15H,5,13-14H2,1-4H3
CH$LINK: CAS 523-54-6
CH$LINK: INCHIKEY USKHCLAXJXCWMO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0046935

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 16.020 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 15 V

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

PK$SPLASH: splash10-004i-0009000000-b187879d1f6325d87113
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  327 999 999
  328 208 208
  329 63 63
  330 12 12
  343 129 129
  344 27 27
  359 282 282
  360 59 59
  361 20 20
//