| SpectraBase Spectrum ID |
IYgC9ExghMf |
| Name |
Lercanidipine_neg |
| CAS Registry Number |
100427-26-7 |
| Collision Gas |
N2 |
| Comments |
FTMS - p ESI d Full ms2 [email protected] [50.00-640.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C36H41N3O6 |
| InChI |
InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3 |
| InChIKey |
ZDXUKAKRHYTAKV-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
N |
| Ionization Type |
HESI |
| Precursor Ion |
[M-H]- |
| SMILES |
N1C(=C(C(C(=C1C)C(OC(CN(CCC(C1=CC=CC=C1)C1=CC=CC=C1)C)(C)C)=O)C1=CC=CC(=C1)N(=O)=O)C(=O)OC)C |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
