Patulin
Compound with spectra: 5 NMR, 1 FTIR, and 6 MS (GC)
| SpectraBase Compound ID | 5aDZT6fYdKY |
|---|---|
| InChI | InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2 |
| InChIKey | ZRWPUFFVAOMMNM-UHFFFAOYSA-N |
| Mol Weight | 154.12 g/mol |
| Molecular Formula | C7H6O4 |
| Exact Mass | 154.026609 g/mol |
| Copyright | Copyright © 2012-2024 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 © 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 | MY-1981-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | E1-42-2168-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Technique | KBr-Pellet |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 859583 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 859583 |
| Solvent | CDCl3 |
- ZRWPUFFVAOMMNM-UHFFFAOYSA-N
- 4H-Furo[3,2-c]pyran-2(6H)-one, 4-hydroxy-
- 4-Hydroxy-furo(3,2-C)pyran-2(4H,6H)-one
- 2-Hydroxy-3,7-dioxabicyclo[4.3.0]nona-5,9-dien-8-one
ISOPATULIN
(E)-3-(5-methyl-6-oxo-2-pyranyl)-2-butenoic acid methyl ester
3-[2-(1,3-Dioxolan-2-yl)ethyl]-2-(dimethylaminomethylene)2,5-dihydrofuran-5-one
5-Methoxy-4-(methoxymethyl)-6-methyl-2-pyranone
NOCAPYRONE-I;(E)-6-(BUT-2-EN-2-YL)-3-PROPYL-2H-PYRAN-2-ONE
(4S,7aR)-4-hydroxy-4,7a-dihydrofuro[5,4-b]pyran-2-one
(5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylene]furan-2-one
[(R)-Z]-5-(2,3-O-Isopropylidene-2,3-dihydroxypropylidene)-2(5H)-furanone
3-Methyl-2-[2-(benzylthio)-1-iodoethylidene]-2,5-dihydrofuran-5-one
(E)-4-Amino-5-(2-hydroxy-3,3-dimethyl-4-pentenylidene)-2(5H)-furanone
| Title | Journal or Book | Year |
|---|---|---|
| Fate of patulin in the presence of the yeastSaccharomyces cerevisiae | Food Additives and Contaminants | 2002 |
This compound is available in the following databases:
Mass Spectra of Designer Drugs 2024
Author: Peter Rösner
This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. 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.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
KnowItAll Mass Spectral 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.