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MassBank Record: MSBNK-Waters-WA001850

Amlodipine; LC-ESI-Q; MS; POS; 15 V

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

ACCESSION: MSBNK-Waters-WA001850
RECORD_TITLE: Amlodipine; LC-ESI-Q; MS; POS; 15 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 15 V

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

PK$SPLASH: splash10-000l-0090200000-7e69c9b59553d69bc060
PK$ANNOTATION: m/z type
  409 [M+1]+
  431 [M+Na]+
  447 [M+K]+
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  122 16 16
  238 999 999
  239 90 90
  240 353 353
  241 35 35
  294 407 407
  295 55 55
  296 125 125
  297 16 16
  392 16 16
  407 39 39
  409 196 196
  410 35 35
  411 67 67
  425 71 71
  426 12 12
  427 24 24
  431 86 86
  432 12 12
  433 27 27
  447 51 51
  448 12 12
  449 20 20
//

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