MassBank Record: MSBNK-Waters-WA001850
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
//