| SpectraBase Spectrum ID |
6VP0MO71zk |
| Name |
Indinavir-M (dealkyl-HO-ring) isomer 1 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 539.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C30H42N4O5 |
| InChI |
InChI=1S/C30H42N4O5/c1-30(2,3)33-29(39)25-17-31-12-13-34(25)18-23(36)15-21(14-19-8-10-22(35)11-9-19)28(38)32-27-24-7-5-4-6-20(24)16-26(27)37/h4-11,21,23,25-27,31,35-37H,12-18H2,1-3H3,(H,32,38)(H,33,39) |
| InChIKey |
KIJCLEHAZIRYRR-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1CC(N(CC(CC(C(NC2C(CC3=CC=CC=C23)O)=O)CC2=CC=C(C=C2)O)O)CC1)C(=O)NC(C)(C)C |
| 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 |
ms2 |
| Technique |
ITMS |
