MassBank Record: MSBNK-Waters-WA002244
ACCESSION: MSBNK-Waters-WA002244
RECORD_TITLE: Etymemazine (oxide); LC-ESI-Q; MS; POS; 45 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0ufr-0729000000-7031534db0947984a8f7
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
100 999 999
101 86 86
226 35 35
227 43 43
240 102 102
241 16 16
253 12 12
281 12 12
282 35 35
298 67 67
299 12 12
327 501 501
328 121 121
329 35 35
343 184 184
344 39 39
345 12 12
359 317 317
360 63 63
361 20 20
//