MassBank MassBank Search Contents Download

MassBank Record: WA002241

Etymemazine (oxide); LC-ESI-Q; MS; POS; 90 V

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

ACCESSION: WA002241
RECORD_TITLE: Etymemazine (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$NAME: Etymemazine (oxide)
CH$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 90 V

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

PK$SPLASH: splash10-004i-0190000000-2b0bfe2ed7916b5b5ec8
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  100 71 71
  167 47 47
  168 31 31
  179 39 39
  180 74 74
  181 12 12
  192 63 63
  193 215 215
  194 55 55
  195 12 12
  199 24 24
  204 12 12
  206 39 39
  208 541 541
  209 78 78
  210 39 39
  211 251 251
  212 215 215
  213 35 35
  214 24 24
  220 20 20
  221 27 27
  223 12 12
  224 55 55
  225 86 86
  226 999 999
  227 239 239
  228 71 71
  229 12 12
  234 20 20
  236 16 16
  238 27 27
  239 16 16
  240 133 133
  241 24 24
  248 12 12
  250 12 12
  251 12 12
  252 24 24
  253 51 51
  266 31 31
  267 12 12
  268 12 12
  280 20 20
  281 24 24
  282 12 12
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze