| SpectraBase Spectrum ID |
C3zQc3lZXlg |
| Name |
Indinavir-M (dealkyl-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [120.00-500.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C30H38N4O2/c1-30(2,3)33-29(36)27-21-31-17-19-34(27)18-9-13-24(20-22-10-5-4-6-11-22)28(35)32-26-16-15-23-12-7-8-14-25(23)26/h4-12,14,16,18,24,26-27,31H,13,15,17,19-21H2,1-3H3,(H-,32,33,35,36)/p+1/b18-9+ |
| InChIKey |
RJXQINRBDIOXKZ-GIJQJNRQSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1CC(C(=O)NC(C)(C)C)N(\C=C\CC(C(NC2C3=CC=CC=C3C[CH+]2)=O)CC2=CC=CC=C2)CC1 |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
