ACCESSION: MSBNK-Waters-WA002243
RECORD_TITLE: Etymemazine (oxide); LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0udi-0791000000-b553879a49dac5400529
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  100 999 999
  101 86 86
  116 12 12
  208 90 90
  209 16 16
  212 20 20
  226 243 243
  227 212 212
  228 39 39
  229 12 12
  240 290 290
  241 43 43
  242 16 16
  250 12 12
  253 35 35
  256 16 16
  265 12 12
  268 20 20
  272 16 16
  281 86 86
  282 51 51
  283 12 12
  298 82 82
  299 16 16
  327 35 35
  328 24 24
  343 74 74
  344 16 16
  359 86 86
  360 16 16
//