ACCESSION: MSBNK-Waters-WA000487
RECORD_TITLE: Oxomemazine; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-001i-0900000000-5485cb7b489d75651713
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  100 98 98
  109 16 16
  121 12 12
  152 165 165
  153 86 86
  154 16 16
  167 86 86
  168 39 39
  169 12 12
  178 12 12
  179 20 20
  180 999 999
  181 141 141
  182 16 16
  183 12 12
  186 71 71
  196 12 12
  199 12 12
  206 16 16
  244 133 133
  245 20 20
  331 27 27
//