MassBank Record: WA000841



 Disopyramide; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000841
RECORD_TITLE: Disopyramide; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Disopyramide CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H29N3O CH$EXACT_MASS: 339.23106 CH$SMILES: CC(C)N(C(C)C)CCC(C(N)=O)(c(c2)cccc2)c(c1)nccc1 CH$IUPAC: InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25) CH$LINK: CAS 3737-09-5 CH$LINK: INCHIKEY UVTNFZQICZKOEM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1045536
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.200 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0092000000-2886c151da070a87bcda PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 114 27 27 195 12 12 239 999 999 240 161 161 241 16 16 340 255 255 341 59 59 342 8 8 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)