| SpectraBase Spectrum ID |
J16k1a6WkcI |
| Name |
Amlodipine |
| CAS Registry Number |
88150-42-9 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
408.145199608 u |
| Formula |
C20H25ClN2O5 |
| InChI |
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 |
| InChIKey |
HTIQEAQVCYTUBX-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
408.882 g/mol |
| Nominal Mass |
408 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
409.152 |
| SMILES |
N1C(=C(C(C(=C1COCCN)C(OCC)=O)C=1C(Cl)=CC=CC1)C(OC)=O)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_55.4 |
