Dataset

Melatonin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO001408 contains the MS2 mass spectrum of Melatonin with the InChIkey DRLFMBDRBRZALE-UHFFFAOYSA-N.

Chemical Information

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)
SMILES	CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
InChI Key	DRLFMBDRBRZALE-UHFFFAOYSA-N
Molecular Formula	C13H16N2O2
Exact Mass	232.121 g/mol

Data and Resources

MelatoninHTML

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Related Molecule ⌄

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO001408
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB01065	drugbank
CHEBI:16796	chebi
ML1	rcsb_pdb
CHEMBL45	chembl
19018	surechembl
29349848	surechembl
896	pubchem
JL5DK93RCL	fdasrs
ML1	pdbe
1357	gtopdb
224	gtopdb
PD001629	probes_and_drugs
MELATN	CCDC
1536	brenda
171171	brenda
30211	brenda
HMDB0001389	hmdb
DTXSID1022421	comptox
NCT00000171	clinicaltrials
NCT00031967	clinicaltrials
NCT00097474	clinicaltrials
NCT00113906	clinicaltrials
NCT00230737	clinicaltrials
NCT00238108	clinicaltrials
NCT00261183	clinicaltrials
NCT00262470	clinicaltrials
NCT00282061	clinicaltrials
NCT00288262	clinicaltrials
NCT00315926	clinicaltrials
NCT00388661	clinicaltrials
NCT00397189	clinicaltrials
NCT00404456	clinicaltrials
NCT00470821	clinicaltrials
NCT00506064	clinicaltrials
NCT00506259	clinicaltrials
NCT00513357	clinicaltrials
NCT00544791	clinicaltrials
NCT00564590	clinicaltrials
NCT00640094	clinicaltrials
NCT00649961	clinicaltrials
NCT00668707	clinicaltrials
NCT00691080	clinicaltrials
NCT00705003	clinicaltrials
NCT00731653	clinicaltrials
NCT00749814	clinicaltrials
NCT00790478	clinicaltrials
NCT00816673	clinicaltrials
NCT00825591	clinicaltrials
NCT00834886	clinicaltrials
NCT00849511	clinicaltrials
NCT00867451	clinicaltrials
NCT00869128	clinicaltrials
NCT00869869	clinicaltrials
NCT00873379	clinicaltrials
NCT00915616	clinicaltrials
NCT00925899	clinicaltrials
NCT00927030	clinicaltrials
NCT00940550	clinicaltrials
NCT00940550	clinicaltrials
NCT00940589	clinicaltrials
NCT00965575	clinicaltrials
NCT00972075	clinicaltrials
NCT01033565	clinicaltrials
NCT01038921	clinicaltrials
NCT01087359	clinicaltrials
NCT01114360	clinicaltrials
NCT01114373	clinicaltrials
NCT01115127	clinicaltrials
NCT01115127	clinicaltrials
NCT01152580	clinicaltrials
NCT01161108	clinicaltrials
NCT01172171	clinicaltrials
NCT01200641	clinicaltrials
NCT01267604	clinicaltrials
NCT01269671	clinicaltrials
NCT01279876	clinicaltrials
NCT01280734	clinicaltrials
NCT01355523	clinicaltrials
NCT01357031	clinicaltrials
NCT01370486	clinicaltrials
NCT01393574	clinicaltrials
NCT01431092	clinicaltrials
NCT01486615	clinicaltrials
NCT01540747	clinicaltrials
NCT01557478	clinicaltrials
NCT01566474	clinicaltrials
NCT01572805	clinicaltrials
NCT01575678	clinicaltrials
NCT01593774	clinicaltrials
NCT01598259	clinicaltrials
NCT01628029	clinicaltrials
NCT01638234	clinicaltrials
NCT01695070	clinicaltrials
NCT01700959	clinicaltrials
NCT01705639	clinicaltrials
NCT01706627	clinicaltrials
NCT01718678	clinicaltrials
NCT01724424	clinicaltrials
NCT01741389	clinicaltrials
NCT01780883	clinicaltrials
NCT01805089	clinicaltrials
NCT01811160	clinicaltrials
NCT01858155	clinicaltrials
NCT01858909	clinicaltrials
NCT01860716	clinicaltrials
NCT01863277	clinicaltrials
NCT01870115	clinicaltrials
NCT01873430	clinicaltrials
NCT01874847	clinicaltrials
NCT01886443	clinicaltrials
NCT01903681	clinicaltrials
NCT01904786	clinicaltrials
NCT01906866	clinicaltrials
NCT01922999	clinicaltrials
NCT01923974	clinicaltrials
NCT01965522	clinicaltrials
NCT01993251	clinicaltrials
NCT02041455	clinicaltrials
NCT02071160	clinicaltrials
NCT02099331	clinicaltrials
NCT02108353	clinicaltrials
NCT02190838	clinicaltrials
NCT02195271	clinicaltrials
NCT02195661	clinicaltrials
NCT02200172	clinicaltrials
NCT02224937	clinicaltrials
NCT02251041	clinicaltrials
NCT02265822	clinicaltrials
NCT02282241	clinicaltrials
NCT02288806	clinicaltrials
NCT02319265	clinicaltrials
NCT02332928	clinicaltrials
NCT02333149	clinicaltrials
NCT02344316	clinicaltrials
NCT02359448	clinicaltrials
NCT02374567	clinicaltrials
NCT02386319	clinicaltrials
NCT02395783	clinicaltrials
NCT02415309	clinicaltrials
NCT02424071	clinicaltrials
NCT02430298	clinicaltrials
NCT02431728	clinicaltrials
NCT02451293	clinicaltrials
NCT02454855	clinicaltrials
NCT02486796	clinicaltrials
NCT02487082	clinicaltrials
NCT02500017	clinicaltrials
NCT02506777	clinicaltrials
NCT02506790	clinicaltrials
NCT02536417	clinicaltrials
NCT02591238	clinicaltrials
NCT02597231	clinicaltrials
NCT02615340	clinicaltrials
NCT02621944	clinicaltrials
NCT02630004	clinicaltrials
NCT02631148	clinicaltrials
NCT02639741	clinicaltrials
NCT02644590	clinicaltrials
NCT02654314	clinicaltrials
NCT02681887	clinicaltrials
NCT02691702	clinicaltrials
NCT02691897	clinicaltrials
NCT02747628	clinicaltrials
NCT02768077	clinicaltrials
NCT02789592	clinicaltrials
NCT02798367	clinicaltrials
NCT02836743	clinicaltrials
NCT02845778	clinicaltrials
NCT02876770	clinicaltrials
NCT02889432	clinicaltrials
NCT02903901	clinicaltrials
NCT02962037	clinicaltrials
NCT02963181	clinicaltrials
NCT02993588	clinicaltrials
NCT03000777	clinicaltrials
NCT03013790	clinicaltrials
NCT03043443	clinicaltrials
NCT03062839	clinicaltrials
NCT03066518	clinicaltrials
NCT03115034	clinicaltrials
NCT03121521	clinicaltrials
NCT03150797	clinicaltrials
NCT03204877	clinicaltrials
NCT03205033	clinicaltrials
NCT03258294	clinicaltrials
NCT03295162	clinicaltrials
NCT03368352	clinicaltrials
NCT03368430	clinicaltrials
NCT03419767	clinicaltrials
NCT03438526	clinicaltrials
NCT03475459	clinicaltrials
NCT03478306	clinicaltrials
NCT03492736	clinicaltrials
NCT03498131	clinicaltrials
NCT03514732	clinicaltrials
NCT03519750	clinicaltrials
NCT03524937	clinicaltrials
NCT03540485	clinicaltrials
NCT03557229	clinicaltrials
NCT03590197	clinicaltrials
NCT03597529	clinicaltrials
NCT03656484	clinicaltrials
NCT03688464	clinicaltrials
NCT03689998	clinicaltrials
NCT03692026	clinicaltrials
NCT03708341	clinicaltrials
NCT03715465	clinicaltrials
NCT03716583	clinicaltrials
NCT03764020	clinicaltrials
NCT03782740	clinicaltrials
NCT03804177	clinicaltrials
NCT03831165	clinicaltrials
NCT03833570	clinicaltrials
NCT03848533	clinicaltrials
NCT03859934	clinicaltrials
NCT03879707	clinicaltrials
NCT03894683	clinicaltrials
NCT03945955	clinicaltrials
NCT03966235	clinicaltrials
NCT03968939	clinicaltrials
NCT03995004	clinicaltrials
NCT04005222	clinicaltrials
NCT04034771	clinicaltrials
NCT04067791	clinicaltrials
NCT04122599	clinicaltrials
NCT04137627	clinicaltrials
NCT04189666	clinicaltrials
NCT04193501	clinicaltrials
NCT04229719	clinicaltrials
NCT04233112	clinicaltrials
NCT04233502	clinicaltrials
NCT04287543	clinicaltrials
NCT04304807	clinicaltrials
NCT04318067	clinicaltrials
NCT04335968	clinicaltrials
NCT04353128	clinicaltrials
NCT04424875	clinicaltrials
NCT04474483	clinicaltrials
NCT04531748	clinicaltrials
NCT04547439	clinicaltrials
NCT04568863	clinicaltrials
NCT04724668	clinicaltrials
NCT04731974	clinicaltrials
NCT04784754	clinicaltrials
NCT04788979	clinicaltrials
NCT04791943	clinicaltrials
NCT04795336	clinicaltrials
NCT04802785	clinicaltrials
NCT04831398	clinicaltrials
NCT04864509	clinicaltrials
NCT04908605	clinicaltrials
NCT04932096	clinicaltrials
NCT04959825	clinicaltrials
NCT05033639	clinicaltrials
NCT05034809	clinicaltrials
NCT05042700	clinicaltrials
NCT05084196	clinicaltrials
NCT05122130	clinicaltrials
NCT05141344	clinicaltrials
NCT05221151	clinicaltrials
NCT05223010	clinicaltrials
NCT05247125	clinicaltrials
NCT05257291	clinicaltrials
NCT05349188	clinicaltrials
NCT05439876	clinicaltrials
NCT05474846	clinicaltrials
NCT05502900	clinicaltrials
NCT05536596	clinicaltrials
NCT05541276	clinicaltrials
NCT05570526	clinicaltrials
NCT05593731	clinicaltrials
NCT05617833	clinicaltrials
NCT05640934	clinicaltrials
NCT05651347	clinicaltrials
NCT05680584	clinicaltrials
NCT05701969	clinicaltrials
NCT05713877	clinicaltrials
NCT05740969	clinicaltrials
NCT05829148	clinicaltrials
NCT05857046	clinicaltrials
NCT05870358	clinicaltrials
NCT05906563	clinicaltrials
NCT06062953	clinicaltrials
NCT06103188	clinicaltrials
NCT06156059	clinicaltrials
NCT06192641	clinicaltrials
NCT06226025	clinicaltrials
NCT06252571	clinicaltrials
NCT06380491	clinicaltrials
NCT06404086	clinicaltrials
NCT06404112	clinicaltrials
NCT06405204	clinicaltrials
NCT06429059	clinicaltrials
NCT06476392	clinicaltrials
Molport-000-737-883	molport
9019	bindingdb
The data in this table is sourced from UniChem at EBI.