Melatonin

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

ID: Reference12

Other Names: Circadin;
M-1250;
Melatol;
Melatonex;
Melovine ; more

Formula: C13H16N2O2

Class: Endogenous Metabolites

Spectral Data

Melatonin 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; Orbitrap Velos Pro; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 5
No. of Spectra 2381
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/10/2016 10:00:59 AM
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Identificators

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)
InChI Key DRLFMBDRBRZALE-UHFFFAOYSA-N
Canonical SMILES CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
CAS 73314
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Other Names Circadin;
M-1250;
Melatol;
Melatonex;
Melovine;
{N-[2-(5-Methoxyindol-3-yl)ethyl]-} acetamide;
N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide;
3-(N-Acetyl-2-aminoethyl)-5-methoxyindole;
Acetamide, {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-};
Acetamide, {N-[2-(5-methoxyindol-3-yl)ethyl]-};
Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]- ;
Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]-

In Other Databases

ChEBI CHEBI:16796
DrugBank APRD00742
ChemIDPlus 000073314
HMDb HMDB01389
Wikipedia Melatonin
PubChem 896
WebBook 3472351593
ChemSpider 872
KEGG C01598