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MassBank Record: WA002604

Dehydronifedipine; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA002604
RECORD_TITLE: Dehydronifedipine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Dehydronifedipine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H16N2O6
CH$EXACT_MASS: 344.10084
CH$SMILES: COC(=O)c(c(C)1)c(c(c2)c(ccc2)[N+1]([O-1])=O)c(C(=O)OC)c(C)n1
CH$IUPAC: InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3
CH$LINK: CAS 67035-22-7
CH$LINK: INCHIKEY UMQHJQGNGLQJPF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9052347

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 16.600 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 45 V

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

PK$SPLASH: splash10-0002-0059000000-fdc383120572edb65636
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  182 12 12
  209 27 27
  210 35 35
  211 16 16
  237 55 55
  252 31 31
  256 86 86
  257 12 12
  267 67 67
  268 125 125
  269 90 90
  270 12 12
  284 313 313
  285 43 43
  345 999 999
  346 447 447
  347 67 67
  367 12 12
//

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