Dataset

Sertraline; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL2311094363 contains the MS2 mass spectrum of Sertraline with the InChIkey VGKDLMBJGBXTGI-SJCJKPOMSA-N.

Chemical Information

InChI	InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
SMILES	CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl
InChI Key	VGKDLMBJGBXTGI-SJCJKPOMSA-N
Molecular Formula	C17H17Cl2N
Exact Mass	305.074 g/mol

Data and Resources

SertralineHTML

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Related Molecule ⌄

(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311094363
Version
Author
Maintainer
Language
MetadataPublished	2023-11-09
Related Molecule	(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB01104	drugbank
CHEBI:9123	chebi
SRE	rcsb_pdb
CHEMBL809	chembl
28701	surechembl
29374222	surechembl
68617	pubchem
QUC7NX6WMB	fdasrs
SRE	pdbe
PD004322	probes_and_drugs
CUTPEN	CCDC
10052	brenda
145083	brenda
145997	brenda
AM64MTB95A	fdasrs
HMDB0005010	hmdb
DTXSID6023577	comptox
NCT00000378	clinicaltrials
NCT00000384	clinicaltrials
NCT00000440	clinicaltrials
NCT00000446	clinicaltrials
NCT00000451	clinicaltrials
NCT00000458	clinicaltrials
NCT00001483	clinicaltrials
NCT00001777	clinicaltrials
NCT00004554	clinicaltrials
NCT00015132	clinicaltrials
NCT00021528	clinicaltrials
NCT00026637	clinicaltrials
NCT00043550	clinicaltrials
NCT00048854	clinicaltrials
NCT00050804	clinicaltrials
NCT00052078	clinicaltrials
NCT00056472	clinicaltrials
NCT00058903	clinicaltrials
NCT00066859	clinicaltrials
NCT00074815	clinicaltrials
NCT00078286	clinicaltrials
NCT00078767	clinicaltrials
NCT00080158	clinicaltrials
NCT00086138	clinicaltrials
NCT00116857	clinicaltrials
NCT00118014	clinicaltrials
NCT00118417	clinicaltrials
NCT00127673	clinicaltrials
NCT00133822	clinicaltrials
NCT00143091	clinicaltrials
NCT00158990	clinicaltrials
NCT00159965	clinicaltrials
NCT00177424	clinicaltrials
NCT00178828	clinicaltrials
NCT00179257	clinicaltrials
NCT00179283	clinicaltrials
NCT00182078	clinicaltrials
NCT00182533	clinicaltrials
NCT00198094	clinicaltrials
NCT00208117	clinicaltrials
NCT00208702	clinicaltrials
NCT00215150	clinicaltrials
NCT00215241	clinicaltrials
NCT00229476	clinicaltrials
NCT00232167	clinicaltrials
NCT00232284	clinicaltrials
NCT00233103	clinicaltrials
NCT00234312	clinicaltrials
NCT00249431	clinicaltrials
NCT00262223	clinicaltrials
NCT00262470	clinicaltrials
NCT00275197	clinicaltrials
NCT00275197	clinicaltrials
NCT00276900	clinicaltrials
NCT00276965	clinicaltrials
NCT00282828	clinicaltrials
NCT00299611	clinicaltrials
NCT00302068	clinicaltrials
NCT00318773	clinicaltrials
NCT00331305	clinicaltrials
NCT00340379	clinicaltrials
NCT00351910	clinicaltrials
NCT00368550	clinicaltrials
NCT00374426	clinicaltrials
NCT00375843	clinicaltrials
NCT00391430	clinicaltrials
NCT00485862	clinicaltrials
NCT00491478	clinicaltrials
NCT00508859	clinicaltrials
NCT00519012	clinicaltrials
NCT00519012	clinicaltrials
NCT00536198	clinicaltrials
NCT00581009	clinicaltrials
NCT00594269	clinicaltrials
NCT00602355	clinicaltrials
NCT00612807	clinicaltrials
NCT00624013	clinicaltrials
NCT00636246	clinicaltrials
NCT00636246	clinicaltrials
NCT00644982	clinicaltrials
NCT00654953	clinicaltrials
NCT00655174	clinicaltrials
NCT00666757	clinicaltrials
NCT00677352	clinicaltrials
NCT00680602	clinicaltrials
NCT00693849	clinicaltrials
NCT00701675	clinicaltrials
NCT00704379	clinicaltrials
NCT00742573	clinicaltrials
NCT00744328	clinicaltrials
NCT00744406	clinicaltrials
NCT00834652	clinicaltrials
NCT00835627	clinicaltrials
NCT00857584	clinicaltrials
NCT00864019	clinicaltrials
NCT00864344	clinicaltrials
NCT00917397	clinicaltrials
NCT00944242	clinicaltrials
NCT00946998	clinicaltrials
NCT00955474	clinicaltrials
NCT00969852	clinicaltrials
NCT01032018	clinicaltrials
NCT01033084	clinicaltrials
NCT01098318	clinicaltrials
NCT01109693	clinicaltrials
NCT01113164	clinicaltrials
NCT01114100	clinicaltrials
NCT01155531	clinicaltrials
NCT01178671	clinicaltrials
NCT01214382	clinicaltrials
NCT01250873	clinicaltrials
NCT01254305	clinicaltrials
NCT01267383	clinicaltrials
NCT01267396	clinicaltrials
NCT01287494	clinicaltrials
NCT01305707	clinicaltrials
NCT01309074	clinicaltrials
NCT01360866	clinicaltrials
NCT01407094	clinicaltrials
NCT01427608	clinicaltrials
NCT01427608	clinicaltrials
NCT01474746	clinicaltrials
NCT01524133	clinicaltrials
NCT01569685	clinicaltrials
NCT01600456	clinicaltrials
NCT01669304	clinicaltrials
NCT01703039	clinicaltrials
NCT01764867	clinicaltrials
NCT01769027	clinicaltrials
NCT01794455	clinicaltrials
NCT01802385	clinicaltrials
NCT01856127	clinicaltrials
NCT01896934	clinicaltrials
NCT01977729	clinicaltrials
NCT02022709	clinicaltrials
NCT02122393	clinicaltrials
NCT02175602	clinicaltrials
NCT02179268	clinicaltrials
NCT02228005	clinicaltrials
NCT02237937	clinicaltrials
NCT02268487	clinicaltrials
NCT02269540	clinicaltrials
NCT02347033	clinicaltrials
NCT02358343	clinicaltrials
NCT02374567	clinicaltrials
NCT02385799	clinicaltrials
NCT02417064	clinicaltrials
NCT02418585	clinicaltrials
NCT02422186	clinicaltrials
NCT02452983	clinicaltrials
NCT02463110	clinicaltrials
NCT02469545	clinicaltrials
NCT02493868	clinicaltrials
NCT02497287	clinicaltrials
NCT02504931	clinicaltrials
NCT02520726	clinicaltrials
NCT02565316	clinicaltrials
NCT02641652	clinicaltrials
NCT02651623	clinicaltrials
NCT02770378	clinicaltrials
NCT02777372	clinicaltrials
NCT02797808	clinicaltrials
NCT02809677	clinicaltrials
NCT02891278	clinicaltrials
NCT02901249	clinicaltrials
NCT02908334	clinicaltrials
NCT02917122	clinicaltrials
NCT02918097	clinicaltrials
NCT03002012	clinicaltrials
NCT03033069	clinicaltrials
NCT03126188	clinicaltrials
NCT03279471	clinicaltrials
NCT03342963	clinicaltrials
NCT03414931	clinicaltrials
NCT03434041	clinicaltrials
NCT03469128	clinicaltrials
NCT03514810	clinicaltrials
NCT03779789	clinicaltrials
NCT03852160	clinicaltrials
NCT03978286	clinicaltrials
NCT04094870	clinicaltrials
NCT04124614	clinicaltrials
NCT04171193	clinicaltrials
NCT04174170	clinicaltrials
NCT04183205	clinicaltrials
NCT04221997	clinicaltrials
NCT04388202	clinicaltrials
NCT04476030	clinicaltrials
NCT04539951	clinicaltrials
NCT04637620	clinicaltrials
NCT04963257	clinicaltrials
NCT05273996	clinicaltrials
NCT05341843	clinicaltrials
NCT05537584	clinicaltrials
NCT05603104	clinicaltrials
NCT05646693	clinicaltrials
NCT05814640	clinicaltrials
NCT05892744	clinicaltrials
NCT05950061	clinicaltrials
NCT05973786	clinicaltrials
NCT06081348	clinicaltrials
NCT06124417	clinicaltrials
NCT06408246	clinicaltrials
2436	drugcentral
50028094	bindingdb
79021	bindingdb
86421	bindingdb
The data in this table is sourced from UniChem at EBI.