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MassBank Record: WA002245

Etymemazine (oxide); LC-ESI-Q; MS; POS; 30 V

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

ACCESSION: WA002245
RECORD_TITLE: Etymemazine (oxide); LC-ESI-Q; MS; POS; 30 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 30 V

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

PK$SPLASH: splash10-004i-0009000000-5cc5f7deeec7e8182a7f
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  100 118 118
  327 999 999
  328 219 219
  329 67 67
  343 141 141
  344 27 27
  359 317 317
  360 67 67
  361 24 24
//

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