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Pentylone
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 © 2019-2024 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 © 2023-2024 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 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CAY-2023-1361-0
Catalog Number 16053
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SWG-33-3756-0
Copyright Copyright © 2016-2024 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 (exempt preparation)
  • bk-Methyl-K
  • b-Keto-Methylbenzodioxolylpentanamine
  • 2-Methylamino-1-(3,4-methylenedioxyphenyl)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.

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