Tolvaptan
Compound with spectra: 1 MS (GC), and 4 MS (LC)
| SpectraBase Compound ID | CfbJudzbNdt |
|---|---|
| InChI | InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) |
| InChIKey | GYHCTFXIZSNGJT-UHFFFAOYSA-N |
| Mol Weight | 448.95 g/mol |
| Molecular Formula | C26H25ClN2O3 |
| Exact Mass | 448.15537 g/mol |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Technique | HCD |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Technique | HCD |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Maurer/Wissenbach/Weber, Saarland University |
| Technique | ITMS |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Maurer/Wissenbach/Weber, Saarland University |
| Technique | ITMS |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CAY-2023-511-0 |
| Catalog Number | 26301 |
- Tolvaptan MS2
- Tolvaptan_neg
- OPC-41061 MS2
(S)-5-(11-hydroxy-6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-5-yl)pentanenitrile
(S)-5-butyl-11-hydroxy-5H-dibenzo[b,e]azepin-6(11H)-one
(S)-5-(3-chloropropyl)-11-hydroxy-5H-dibenzo[b,e]azepin-6(11H)-one
(S)-11-hydroxy-5-propyl-5H-dibenzo[b,e]azepin-6(11H)-one
(S)-11-hydroxy-5-(pent-2-yn-1-yl)-5H-dibenzo[b,e]azepin-6(11H)-one
3,4-EPOXY-2-METHYL-1-(4-NITROBENZOYL)-1,2,3,4-TETRAHYDROQUINOLINE
(S)-5-allyl-11-hydroxy-5H-dibenzo[b,e]azepin-6(11H)-one
N-[(1'-Adamantyl)ethyl]-2-[ 6' (5H)-oxophenanthridin-5'-yl]acetamide
(S)-11-hydroxy-5-(prop-2-yn-1-yl)-5H-dibenzo[b,e]azepin-6(11H)-one
9-Chloro-N-benzylphenanthridin-6-one
This compound is available in the following databases:
Maurer, Meyer, Helfer, Weber LC-HR-MSMS Library of Drugs, Poisons, and Their Metabolites, 2nd Edition
Author: Hans H. Maurer, Markus Meyer, Andreas G. Helfer, Armin A. Weber
Developed by toxicologist Hans H. Maurer and his team, the Maurer/Meyer/Helfer/Weber LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites consists of spectra for parent drugs or poisons, and their metabolites or artifacts, in various compound classification groups. This metabolite-based library helps minimize the risk of false negative LC-MS results. Learn more.
KnowItAll GC-MS Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Wiley Registry of Mass Spectral Data 2026
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.