MassBank Record: MSBNK-Waters-WA001849
ACCESSION: MSBNK-Waters-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
//