6-Hydroxymelatonin

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Systematic / IUPAC Name: N-[2-(6-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide

ID: Reference269

Other Names: 3-(N-Acetylaminoethyl)-6-hydroxy-5-methoxyindole;
Acetamide, N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]-;
Melatonin, 6-hydroxy-

Formula: C13H16N2O3

Class: Endogenous Metabolites

Spectral Data

6-Hydroxymelatonin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 289
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 8:32:41 AM
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Identificators

InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
InChI Key OMYMRCXOJJZYKE-UHFFFAOYSA-N
Canonical SMILES CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O
CAS 2208415
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Other Names 3-(N-Acetylaminoethyl)-6-hydroxy-5-methoxyindole;
Acetamide, N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]-;
Melatonin, 6-hydroxy-

In Other Databases

ChEBI CHEBI:2198
ChEMBL CHEMBL127421
ChemIDPlus 002208415
KEGG C05643
ChemSpider 1794
HMDb HMDB04081
PubChem 1864