Melatonin
Compound with spectra: 3 NMR, 6 FTIR, 1 Raman, and 21 MS (GC)
| SpectraBase Compound ID | LBtbMBVparw |
|---|---|
| InChI | InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) |
| InChIKey | DRLFMBDRBRZALE-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C13H16N2O2 |
| Exact Mass | 232.121178 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 © 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 © 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 © 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 © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | FL-0-33-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | EP-752-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | EP-2039-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SWG-33-1860-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | J-67-2255-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | RCM-12-1539-1, MLT |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AV-50-241-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KO-4-352-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AV-37-185-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KO-2-273-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JZ-1992-1934-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | B4-0-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | FM-2019-974-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | FM-2019-972-0 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company LLC |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | M5250 |
| Technique | KBr0 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Regis Chemical Company, Chicago, Illinois |
| Technique | KBr WAFER |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | M2675 |
| Technique | Mull |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | M5250 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 461326 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | M2675 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |
| 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 | M2675 |
| Solvent | CDCl3 & DMSO-d6 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | M5250 |
| 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 | M2675 |
| Solvent | CDCl3 & DMSO-d6 |
- N-acetyl-5-methoxytryptamine
- N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide
- Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)-
- N-[2-(5-METHOXYINDOL-3-YL)ETHYL]ACETAMIDE
- INDOLE, 3-/2-ACETAMIDOETHYL/- 5-METHOXY-,
- ACETAMIDE, N-/2-/5-METHOXYINDOL-3-YL/ETHYL/-,
- melatonin, 1TMS
- Tryptamine,N-acetyl-5-methoxy
2-(5-Methoxy-1H-indol-3-yl)ethylformamide
N-Propyl-5-methoxytryptamine
5-METHOXYINDOLE-N-ISOPROPYL-TRYPTAMINE
N2-Benzyl-5-methoxytryptamine
5-Methoxy-N,N-dimethyltryptamine
5-Methoxy-N,N-dimethyl-tryptammonium cation
5-METHOXYINDOLE-N,N-DIETHYL-TRYPTAMINE
5-Methoxy-3-[2-(1-pyrrolidinyl)ethyl]indole
5-Methoxy-3-(2-nitroethyl)-1H-indole
5-METHOXYINDOLE-N,N-DIISOPROPYL-TRYPTAMINE-MONOOXALATE
This compound is available in the following databases:
Mass Spectra of Designer Drugs 2024
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This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.
KnowItAll NMR Spectral Library
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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
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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.
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.
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.
| Vendor/Supplier | Catalog Number |
|---|---|
| Sigma-Aldrich Company LLC |