Pentylone
Compound with spectra: 1 NMR, 1 FTIR, 1 Raman, 7 MS (GC), and 2 MS (LC)
| SpectraBase Compound ID | JXeQpIo8RPJ |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3 |
| InChIKey | DFMLULIEUUXXSA-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
| Copyright | Copyright © 2019-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Lipomed AG |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | Free base of PTY-1506-HC-1LM |
| 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 © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique | GC/MS |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CAY-2023-1361-0 |
| Catalog Number | 16053 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SWG-33-3756-0 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- bk-MBDP
- PENTYLONE;1-(3,4-METHYLENEDIOXYPHENYL)-2-(METHYLAMINO)-PENTAN-1-ONE
- Pentylone MS2
- Pentylone (exempt preparation)
- bk-Methyl-K
- b-Keto-Methylbenzodioxolylpentanamine
- 2-Methylamino-1-(3,4-methylenedioxyphenyl)pentan-1-one
- 1-(1,3-Benzodioxol-5-yl)-2-(methylamino)pentan-1-one
- 1-(benzo[d][1,3]dioxol-5-yl)-2-(methylamino)pentan-1-one
| Title | Journal or Book | Year |
|---|---|---|
| Analysis of NRG ‘legal highs’ in the UK: identification and formation of novel cathinones | Drug Testing and Analysis | 2010 |
This compound is available in the following databases:
Wiley Registry of Mass Spectral Data 2023
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.
Maurer, Meyer, Helfer, Weber: LC-HR-MS & MS Library of Drugs, Poisons, and Their Metabolites
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.