MassBank Record: MSBNK-Waters-WA002243
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
//