MassBank Record: MSBNK-Waters-WA000488
ACCESSION: MSBNK-Waters-WA000488
RECORD_TITLE: Oxomemazine; 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$NAME: Oxomemazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H22N2O2S
CH$EXACT_MASS: 330.14020
CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc3)S(=O)(=O)c(cccc2)1
CH$IUPAC: InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
CH$LINK: CAS
3689-50-7
CH$LINK: INCHIKEY
QTQPVLDZQVPLGV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5023405
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.850 min
AC$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: splash10-0f8c-0930000000-da1bad69511fe9193ae8
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
100 999 999
101 71 71
152 20 20
153 20 20
167 55 55
168 47 47
180 928 928
181 129 129
186 31 31
206 12 12
231 16 16
232 27 27
244 650 650
245 90 90
246 31 31
331 59 59
332 12 12
//