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MassBank Record: WA000491

Oxomemazine; LC-ESI-Q; MS; POS; 15 V, 30 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000491
RECORD_TITLE: Oxomemazine; LC-ESI-Q; MS; POS; 15 V, 30 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 15 V, 30 V

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

PK$SPLASH: splash10-001i-0009000000-8986269bb259a70c2616
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  100 12 12
  331 999 999
  332 204 204
  333 67 67
//

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