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MassBank Record: WA002280

Alimemazine (oxide); LC-ESI-Q; MS; POS; 15 V

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

ACCESSION: WA002280
RECORD_TITLE: Alimemazine (oxide); LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.05.08, modified 2011.09.27)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Alimemazine (oxide)
CH$NAME: sulfoxide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H22N2OS
CH$EXACT_MASS: 314.14528
CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc3)S(=O)c(cccc2)1
CH$IUPAC: InChI=1S/C18H22N2OS/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)22(21)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
CH$LINK: CAS 84-96-8
CH$LINK: INCHIKEY XZLXDYORQZVLKR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40905702

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 14.740 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

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

PK$SPLASH: splash10-0002-0096000000-d6f660294a309106999e
PK$ANNOTATION: m/z type
  315 [M+H]+
  331 [M+O+H]+
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  299 999 999
  300 184 184
  301 59 59
  302 8 8
  315 78 78
  316 16 16
  331 290 290
  332 51 51
  333 20 20
//

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