ACCESSION: MSBNK-Waters-WA002242
RECORD_TITLE: Etymemazine (oxide); LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-004i-0190000000-8280a89bb8260d4f374f
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  100 474 474
  101 43 43
  116 12 12
  180 16 16
  192 16 16
  193 31 31
  194 20 20
  199 20 20
  206 20 20
  208 533 533
  209 82 82
  211 63 63
  212 153 153
  213 20 20
  214 16 16
  221 27 27
  224 20 20
  225 39 39
  226 999 999
  227 431 431
  228 94 94
  229 16 16
  234 12 12
  238 24 24
  239 16 16
  240 400 400
  241 63 63
  242 27 27
  243 12 12
  248 12 12
  249 12 12
  250 16 16
  253 86 86
  254 16 16
  256 16 16
  266 24 24
  267 12 12
  268 31 31
  269 12 12
  272 16 16
  280 31 31
  281 102 102
  282 47 47
  283 12 12
  298 35 35
  343 12 12
  359 24 24
//