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MassBank Record: WA000838

Disopyramide; LC-ESI-Q; MS; POS; 75 V, 90 V

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

ACCESSION: WA000838
RECORD_TITLE: Disopyramide; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Disopyramide
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-0007-0900000000-40c1e5923a372a099c07
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  116 8 8
  117 8 8
  118 200 200
  119 16 16
  167 67 67
  168 27 27
  180 12 12
  192 8 8
  193 31 31
  194 999 999
  195 721 721
  196 118 118
  197 8 8
  221 31 31
  222 8 8
  239 74 74
  240 12 12
  340 35 35
  341 8 8
//

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