For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Metronidazole
SpectraBase Compound ID JFkJwk2sULC
InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
InChIKey VAOCPAMSLUNLGC-UHFFFAOYSA-N
Mol Weight 171.16 g/mol
Molecular Formula C6H9N3O3
Exact Mass 171.064391 g/mol
Copyright Copyright © 2012-2025 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences
Copyright Copyright © 2012-2025 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences
Copyright Copyright © 2012-2025 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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 © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-0-0-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SWG-33-2998-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-4655-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-605-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Source of Spectrum Forensic Spectral Research
Catalog Number 01580
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 226742
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 © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample J. E. Stambaugh, Jr., Jefferson Medical College, Philadelphia, Pennsylvania
Solvent DMSO-d6
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 226742
Solvent DMSO-d6
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 226742
Solvent DMSO-d6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample G. D. Searle and Company, Chicago, Illinois
Technique KBr WAFER
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 226742
Technique Mull
Copyright Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Source of Spectrum Forensic Spectral Research
Catalog Number 01580
Copyright Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 226742
  • 2-Methyl-5-nitro-1H-imidazole-1-ethanol
  • 1H-imidazole-1-ethanol, 2-methyl-5-nitro-
  • 2-Methyl-5-nitroimidazole-1-ethanol
  • METRONIDAZOLE;1-(2-HYDROXY-ETHYL)-2-METHYL-5-NITRO-IMIDAZOLE
  • Danizol
  • Imidazole-1-ethanol, 2-methyl-5-nitro-
  • CLONT
  • CONT
  • 2-(2-Methyl-5-nitro-imidazol-1-yl)ethanol
  • Metronidazole MS2
  • Metronidazole-M (glucuronide) MS3
  • 2-Methyl-5-nitro-imidazol-1-ethanol
  • Flagyl
  • 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethanol
  • Metro I.V.
  • Tricowas B
  • Arilin
  • Elyzol
  • Flagil
  • Flegyl
  • Satric
  • Tricom
  • Atrivyl
  • Efloran
  • Entizol
  • Fossyol
  • Mexibol
  • Monagyl
  • Monasin
  • Orvagil
  • Trichex
  • Trimeks
  • Vagilen
  • Vagimid
  • Zadstat
  • Acromona
  • Deflamon
  • Flagesol
  • Metrolag
  • Metrolyl
  • Metrotop
  • Noritate
  • Rathimed
  • neo-Tric
  • Tricocet
  • Trikamon
  • Trikojol
  • Trikozol
  • Trivazol
  • Vertisal
  • Wagitran
  • Deflamon-Wirkstoff
  • Flagemona
  • Giatricol
  • Meronidal
  • Metric 21
  • Metro gel
  • Protostat
  • Takimetol
  • Trichazol
  • Trichomol
  • Trichopal
  • Trichopol
  • Trikacide
  • Anagiardil
  • Gineflavir
  • Metronidaz
  • Trichocide
  • Flagyl i.v.
  • Novonidazol
  • Sanatrichom
  • Metronidazol
  • Metronidazolo
  • Tricho cordes
  • Methronidazole
  • Metronidazolum
  • Flagyl i.v. rtu
  • Tricho-gynaedron
  • Metro cream & gel
  • Mexibol 'silanes'
  • Trichomonacid 'pharmachim'
  • 1-Hydroxyethyl-2-methyl-5-nitroimidazole
  • 2-(2-Methyl-5-nitro-1-imidazolyl)ethanol
  • 1-(.beta.-Ethylol)-2-methyl-5-nitro-3-azapyrrole
  • 1-(.beta.-Hydroxyethyl)-2-methyl-5-nitroimidazole
  • 1-(2-Hydroxy-1-ethyl)-2-methyl-5-nitroimidazole
  • 2-Methyl-1-(2-hydroxyethyl)-5-nitroimidazole
  • 2-Methyl-3-(2-hydroxyethyl)-4-nitroimidazole
  • 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole
  • BEXON
  • EUMIN
  • KLION
  • KLONT
  • NALOX
  • NIDA
  • EPA PESTICIDE CHEMICAL CODE 120401
  • CASWELL NO. 579AA
  • CCRIS 410
  • BAYER 5360
  • HSDB 3129
  • EINECS 207-136-1
  • NSC 69587
  • BRN 0611683
  • RP 8823
  • SC 10295
  • 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol
Title Journal or Book Year
Probing NMR parameters, structure and dynamics of 5-nitroimidazole derivatives. Density functional study of prototypical radiosensitizers Magnetic Resonance in Chemistry 2004
Synthèse de derivès du nitro-5 imidazole potentiellement actifs en chimiothèrapie Journal of Heterocyclic Chemistry 1984

This compound is available in the following databases:

KnowItAll IR Spectral Library

Author: Wiley

Wiley's KnowItAll IR Spectral Library offers access to the world's largest collection of high-quality infrared spectra, including the renowned Sadtler databases. Learn more.

KnowItAll Raman Spectral Library

Author: Wiley

Wiley's KnowItAll Raman Spectral Library offers access to the world's largest collection of high-quality Raman spectra, including the renowned Sadtler databases. Learn more.

Sigma-Aldrich Library of Raman Spectra

Author: Wiley/Sigma-Aldrich

Wiley, on behalf of Merck KGaA Darmstadt, Germany, releases the Sigma-Aldrich Library of Raman Spectra, featuring over 6,480 high-quality Raman spectra. Learn more.

Sigma-Aldrich Library of ATR-IR Spectra

Author: Sigma Aldrich

The Sigma-Aldrich Library of ATR-IR Spectra is a comprehensive collection of ATR-IR spectra sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.

Sigma-Aldrich Library of FT-IR Spectra

Author: Sigma Aldrich

The Sigma-Aldrich Library of FT-IR Spectra is a comprehensive collection of FT-IR spectra sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.

Wiley Registry of Tandem Mass Spectral Data: MS for ID

Author: Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria

The Wiley Registry® of Tandem Mass Spectral Data: MS for ID contains 10,000 positive and negative mode spectra of over 1200 compounds of interest for forensics, toxicology, and pathology. Learn more.

Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition

Author: Hans H. Maurer, Markus Meyer, Karl Pfleger, Armin A. Weber

Identification of trace drugs, poisons, and pollutants requires broad coverage of specific compound classes: metabolites, acetylated, methylated, trimethylsilylated, trifluoroacetylated, pentafluoropropionylated, and heptafluorobutyrylated compounds. Learn more.

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.

Mass Spectra of Designer Drugs 2025

Author: Peter Rösner

This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually Learn more.

Sigma Aldrich NMR Library

Author: Sigma Aldrich

The Sigma-Aldrich Library of NMR Spectra is a comprehensive collection of NMR spectra for organic compounds sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.

KnowItAll LC-MS Library

Author: Wiley

Wiley's KnowItAll LC-MS Library offers access to an impressive collection of high-quality mass spectra designed to accelerate spectral identification. 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.

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, 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.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.