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MassBank Record: WA001380

p-Chlorodisopyramide; LC-ESI-Q; MS; POS; 30 V

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

ACCESSION: WA001380
RECORD_TITLE: p-Chlorodisopyramide; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: p-Chlorodisopyramide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H28ClN3O
CH$EXACT_MASS: 373.19209
CH$SMILES: CC(C)N(C(C)C)CCC(C(N)=O)(c(c2)nccc2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C21H28ClN3O/c1-15(2)25(16(3)4)14-12-21(20(23)26,19-7-5-6-13-24-19)17-8-10-18(22)11-9-17/h5-11,13,15-16H,12,14H2,1-4H3,(H2,23,26)
CH$LINK: INCHIKEY JFFGSFYJCBZOQH-UHFFFAOYSA-N

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 12.650 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$SPLASH: splash10-00di-0069000000-d91129c2044071865d6d
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  114 63 63
  185 8 8
  273 776 776
  274 129 129
  275 259 259
  276 39 39
  374 999 999
  375 247 247
  376 360 360
  377 86 86
  378 8 8
//

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