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MassBank Record: WA001849

Amlodipine; LC-ESI-Q; MS; POS; 30 V

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

ACCESSION: WA001849
RECORD_TITLE: Amlodipine; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.10.25)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Amlodipine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H25ClN2O5
CH$EXACT_MASS: 408.14520
CH$SMILES: NCCOCC(N1)=C(C(=O)OCC)C(c(c2)c(Cl)ccc2)C(C(=O)OC)=C(C)1
CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1
CH$LINK: CAS 88150-42-9
CH$LINK: INCHIKEY HTIQEAQVCYTUBX-KRWDZBQOSA-N
CH$LINK: COMPTOX DTXSID50904504

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 15.430 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$SPLASH: splash10-000l-0090200000-a13641040bf8e468bbe5
PK$ANNOTATION: m/z type
  409 [M+1]+
  431 [M+Na]+
  447 [M+K]+
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  206 24 24
  208 27 27
  238 999 999
  239 118 118
  240 341 341
  241 39 39
  294 584 584
  295 74 74
  296 180 180
  297 31 31
  320 27 27
  336 12 12
  377 106 106
  378 20 20
  379 43 43
  392 27 27
  407 59 59
  409 82 82
  410 12 12
  411 20 20
  425 71 71
  427 24 24
  431 149 149
  432 31 31
  433 55 55
  447 71 71
  449 27 27
//

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