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
//