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MassBank Record: WA002821

Mono-isopropyl disopyramide; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: WA002821
RECORD_TITLE: Mono-isopropyl disopyramide; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Mono-isopropyl disopyramide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H23N3O
CH$EXACT_MASS: 297.18411
CH$SMILES: CC(C)NCCC(C(N)=O)(c(c2)cccc2)c(c1)nccc1
CH$IUPAC: InChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)
CH$LINK: CAS 38236-46-3
CH$LINK: INCHIKEY UWNSWIXIVDMCHZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00959180

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 11.350 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 60 V

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

PK$SPLASH: splash10-0005-0910000000-5abc1fde28cf5b66cd0f
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
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//

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