Dataset

Valsartan; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA002360 contains the MS mass spectrum of Valsartan with the InChIkey ACWBQPMHZXGDFX-QFIPXVFZSA-N.

Chemical Information

InChI	InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
SMILES	CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O
InChI Key	ACWBQPMHZXGDFX-QFIPXVFZSA-N
Molecular Formula	C24H29N5O3
Exact Mass	435.227 g/mol

Data and Resources

ValsartanHTML

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Related Molecule ⌄

(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002360
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00177	drugbank
CHEBI:9927	chebi
U35	rcsb_pdb
CHEMBL1069	chembl
2542	surechembl
29406387	surechembl
678231	surechembl
60846	pubchem
80M03YXJ7I	fdasrs
U35	pdbe
PD000563	probes_and_drugs
KIPLIG	CCDC
HMDB0014323	hmdb
DTXSID6023735	comptox
NCT00000620	clinicaltrials
NCT00034840	clinicaltrials
NCT00089518	clinicaltrials
NCT00097786	clinicaltrials
NCT00097786	clinicaltrials
NCT00129233	clinicaltrials
NCT00130156	clinicaltrials
NCT00133328	clinicaltrials
NCT00140790	clinicaltrials
NCT00149227	clinicaltrials
NCT00153023	clinicaltrials
NCT00154271	clinicaltrials
NCT00162955	clinicaltrials
NCT00168779	clinicaltrials
NCT00170924	clinicaltrials
NCT00170937	clinicaltrials
NCT00170963	clinicaltrials
NCT00170976	clinicaltrials
NCT00170989	clinicaltrials
NCT00171002	clinicaltrials
NCT00171015	clinicaltrials
NCT00171028	clinicaltrials
NCT00171041	clinicaltrials
NCT00171054	clinicaltrials
NCT00171067	clinicaltrials
NCT00171080	clinicaltrials
NCT00171093	clinicaltrials
NCT00171106	clinicaltrials
NCT00171119	clinicaltrials
NCT00171132	clinicaltrials
NCT00171327	clinicaltrials
NCT00171353	clinicaltrials
NCT00171535	clinicaltrials
NCT00171561	clinicaltrials
NCT00171574	clinicaltrials
NCT00171600	clinicaltrials
NCT00171756	clinicaltrials
NCT00171782	clinicaltrials
NCT00185055	clinicaltrials
NCT00190580	clinicaltrials
NCT00200694	clinicaltrials
NCT00200694	clinicaltrials
NCT00202618	clinicaltrials
NCT00208767	clinicaltrials
NCT00239538	clinicaltrials
NCT00240448	clinicaltrials
NCT00241007	clinicaltrials
NCT00241072	clinicaltrials
NCT00241085	clinicaltrials
NCT00241098	clinicaltrials
NCT00241124	clinicaltrials
NCT00241137	clinicaltrials
NCT00241150	clinicaltrials
NCT00250562	clinicaltrials
NCT00254475	clinicaltrials
NCT00273299	clinicaltrials
NCT00277472	clinicaltrials
NCT00280540	clinicaltrials
NCT00294086	clinicaltrials
NCT00295542	clinicaltrials
NCT00302705	clinicaltrials
NCT00304226	clinicaltrials
NCT00308425	clinicaltrials
NCT00309257	clinicaltrials
NCT00310778	clinicaltrials
NCT00311740	clinicaltrials
NCT00327145	clinicaltrials
NCT00327587	clinicaltrials
NCT00327587	clinicaltrials
NCT00333489	clinicaltrials
NCT00338936	clinicaltrials
NCT00343499	clinicaltrials
NCT00350168	clinicaltrials
NCT00351130	clinicaltrials
NCT00353912	clinicaltrials
NCT00360178	clinicaltrials
NCT00367562	clinicaltrials
NCT00367939	clinicaltrials
NCT00376272	clinicaltrials
NCT00385931	clinicaltrials
NCT00386607	clinicaltrials
NCT00391846	clinicaltrials
NCT00392262	clinicaltrials
NCT00394745	clinicaltrials
NCT00396656	clinicaltrials
NCT00400777	clinicaltrials
NCT00407680	clinicaltrials
NCT00409487	clinicaltrials
NCT00409578	clinicaltrials
NCT00409643	clinicaltrials
NCT00409760	clinicaltrials
NCT00409851	clinicaltrials
NCT00413049	clinicaltrials
NCT00413413	clinicaltrials
NCT00415883	clinicaltrials
NCT00416468	clinicaltrials
NCT00416728	clinicaltrials
NCT00425373	clinicaltrials
NCT00425373	clinicaltrials
NCT00425997	clinicaltrials
NCT00426348	clinicaltrials
NCT00426478	clinicaltrials
NCT00433836	clinicaltrials
NCT00435162	clinicaltrials
NCT00437645	clinicaltrials
NCT00439738	clinicaltrials
NCT00446511	clinicaltrials
NCT00446524	clinicaltrials
NCT00446563	clinicaltrials
NCT00457483	clinicaltrials
NCT00457626	clinicaltrials
NCT00460213	clinicaltrials
NCT00487123	clinicaltrials
NCT00494715	clinicaltrials
NCT00500604	clinicaltrials
NCT00503152	clinicaltrials
NCT00503152	clinicaltrials
NCT00523549	clinicaltrials
NCT00523744	clinicaltrials
NCT00546754	clinicaltrials
NCT00548067	clinicaltrials
NCT00549770	clinicaltrials
NCT00550095	clinicaltrials
NCT00589732	clinicaltrials
NCT00591578	clinicaltrials
NCT00599885	clinicaltrials
NCT00603590	clinicaltrials
NCT00657241	clinicaltrials
NCT00661895	clinicaltrials
NCT00666536	clinicaltrials
NCT00687206	clinicaltrials
NCT00687973	clinicaltrials
NCT00696436	clinicaltrials
NCT00698646	clinicaltrials
NCT00699192	clinicaltrials
NCT00700271	clinicaltrials
NCT00716950	clinicaltrials
NCT00732069	clinicaltrials
NCT00738972	clinicaltrials
NCT00741585	clinicaltrials
NCT00745953	clinicaltrials
NCT00790946	clinicaltrials
NCT00809926	clinicaltrials
NCT00809926	clinicaltrials
NCT00819767	clinicaltrials
NCT00821574	clinicaltrials
NCT00839683	clinicaltrials
NCT00858299	clinicaltrials
NCT00874601	clinicaltrials
NCT00878969	clinicaltrials
NCT00887588	clinicaltrials
NCT00902304	clinicaltrials
NCT00902304	clinicaltrials
NCT00921570	clinicaltrials
NCT00922441	clinicaltrials
NCT00927394	clinicaltrials
NCT00931710	clinicaltrials
NCT00931710	clinicaltrials
NCT00939588	clinicaltrials
NCT00982358	clinicaltrials
NCT00993109	clinicaltrials
NCT01001572	clinicaltrials
NCT01004237	clinicaltrials
NCT01030458	clinicaltrials
NCT01057537	clinicaltrials
NCT01070043	clinicaltrials
NCT01071122	clinicaltrials
NCT01095822	clinicaltrials
NCT01115972	clinicaltrials
NCT01122251	clinicaltrials
NCT01129557	clinicaltrials
NCT01167153	clinicaltrials
NCT01241487	clinicaltrials
NCT01245608	clinicaltrials
NCT01271985	clinicaltrials
NCT01281306	clinicaltrials
NCT01340326	clinicaltrials
NCT01353508	clinicaltrials
NCT01365481	clinicaltrials
NCT01375322	clinicaltrials
NCT01400256	clinicaltrials
NCT01402843	clinicaltrials
NCT01406431	clinicaltrials
NCT01415505	clinicaltrials
NCT01425411	clinicaltrials
NCT01432106	clinicaltrials
NCT01447485	clinicaltrials
NCT01494727	clinicaltrials
NCT01508026	clinicaltrials
NCT01508026	clinicaltrials
NCT01508026	clinicaltrials
NCT01518855	clinicaltrials
NCT01536353	clinicaltrials
NCT01541189	clinicaltrials
NCT01609907	clinicaltrials
NCT01609907	clinicaltrials
NCT01609907	clinicaltrials
NCT01609959	clinicaltrials
NCT01652339	clinicaltrials
NCT01672476	clinicaltrials
NCT01681576	clinicaltrials
NCT01699490	clinicaltrials
NCT01735890	clinicaltrials
NCT01764178	clinicaltrials
NCT01776047	clinicaltrials
NCT01805804	clinicaltrials
NCT01819220	clinicaltrials
NCT01819779	clinicaltrials
NCT01850160	clinicaltrials
NCT01870739	clinicaltrials
NCT01878201	clinicaltrials
NCT01904981	clinicaltrials
NCT01912534	clinicaltrials
NCT01917149	clinicaltrials
NCT01918332	clinicaltrials
NCT01918332	clinicaltrials
NCT01920711	clinicaltrials
NCT01928628	clinicaltrials
NCT01928628	clinicaltrials
NCT02058446	clinicaltrials
NCT02058823	clinicaltrials
NCT02060019	clinicaltrials
NCT02062645	clinicaltrials
NCT02088008	clinicaltrials
NCT02145104	clinicaltrials
NCT02177396	clinicaltrials
NCT02242318	clinicaltrials
NCT02299310	clinicaltrials
NCT02343250	clinicaltrials
NCT02343250	clinicaltrials
NCT02403349	clinicaltrials
NCT02480764	clinicaltrials
NCT02495324	clinicaltrials
NCT02519010	clinicaltrials
NCT02554890	clinicaltrials
NCT02572960	clinicaltrials
NCT02596126	clinicaltrials
NCT02606279	clinicaltrials
NCT02631031	clinicaltrials
NCT02636283	clinicaltrials
NCT02639637	clinicaltrials
NCT02662894	clinicaltrials
NCT02682719	clinicaltrials
NCT02687932	clinicaltrials
NCT02690974	clinicaltrials
NCT02754518	clinicaltrials
NCT02765594	clinicaltrials
NCT02787798	clinicaltrials
NCT02787798	clinicaltrials
NCT02788656	clinicaltrials
NCT02815657	clinicaltrials
NCT02816736	clinicaltrials
NCT02817217	clinicaltrials
NCT02874794	clinicaltrials
NCT02884206	clinicaltrials
NCT02887183	clinicaltrials
NCT02900378	clinicaltrials
NCT02916160	clinicaltrials
NCT02924727	clinicaltrials
NCT02966665	clinicaltrials
NCT02970669	clinicaltrials
NCT02973035	clinicaltrials
NCT03005184	clinicaltrials
NCT03009474	clinicaltrials
NCT03012763	clinicaltrials
NCT03066804	clinicaltrials
NCT03119623	clinicaltrials
NCT03168568	clinicaltrials
NCT03168568	clinicaltrials
NCT03180593	clinicaltrials
NCT03279861	clinicaltrials
NCT03300427	clinicaltrials
NCT03315832	clinicaltrials
NCT03415906	clinicaltrials
NCT03459560	clinicaltrials
NCT03476616	clinicaltrials
NCT03502031	clinicaltrials
NCT03506412	clinicaltrials
NCT03508739	clinicaltrials
NCT03532854	clinicaltrials
NCT03536598	clinicaltrials
NCT03536598	clinicaltrials
NCT03541109	clinicaltrials
NCT03552575	clinicaltrials
NCT03552575	clinicaltrials
NCT03553303	clinicaltrials
NCT03553810	clinicaltrials
NCT03553810	clinicaltrials
NCT03594825	clinicaltrials
NCT03639480	clinicaltrials
NCT03648333	clinicaltrials
NCT03717688	clinicaltrials
NCT03738878	clinicaltrials
NCT03757390	clinicaltrials
NCT03760588	clinicaltrials
NCT03785405	clinicaltrials
NCT03832660	clinicaltrials
NCT03893526	clinicaltrials
NCT03893526	clinicaltrials
NCT03928158	clinicaltrials
NCT03938389	clinicaltrials
NCT03988634	clinicaltrials
NCT04023227	clinicaltrials
NCT04047940	clinicaltrials
NCT04055428	clinicaltrials
NCT04103554	clinicaltrials
NCT04128891	clinicaltrials
NCT04149990	clinicaltrials
NCT04153136	clinicaltrials
NCT04191681	clinicaltrials
NCT04197050	clinicaltrials
NCT04206865	clinicaltrials
NCT04263922	clinicaltrials
NCT04335786	clinicaltrials
NCT04342351	clinicaltrials
NCT04572724	clinicaltrials
NCT04575675	clinicaltrials
NCT04591210	clinicaltrials
NCT04606563	clinicaltrials
NCT04623866	clinicaltrials
NCT04633005	clinicaltrials
NCT04637152	clinicaltrials
NCT04637555	clinicaltrials
NCT04687111	clinicaltrials
NCT04687111	clinicaltrials
NCT04688294	clinicaltrials
NCT04707508	clinicaltrials
NCT04753112	clinicaltrials
NCT04769778	clinicaltrials
NCT04853758	clinicaltrials
NCT04859452	clinicaltrials
NCT04883528	clinicaltrials
NCT04912167	clinicaltrials
NCT04929600	clinicaltrials
NCT04971720	clinicaltrials
NCT05056727	clinicaltrials
NCT05060588	clinicaltrials
NCT05060588	clinicaltrials
NCT05095922	clinicaltrials
NCT05155137	clinicaltrials
NCT05164653	clinicaltrials
NCT05170061	clinicaltrials
NCT05170061	clinicaltrials
NCT05194111	clinicaltrials
NCT05194111	clinicaltrials
NCT05212597	clinicaltrials
NCT05243199	clinicaltrials
NCT05269615	clinicaltrials
NCT05279742	clinicaltrials
NCT05359068	clinicaltrials
NCT05366101	clinicaltrials
NCT05387967	clinicaltrials
NCT05465031	clinicaltrials
NCT05487261	clinicaltrials
NCT05498181	clinicaltrials
NCT05508035	clinicaltrials
NCT05514938	clinicaltrials
NCT05528419	clinicaltrials
NCT05545059	clinicaltrials
NCT05580510	clinicaltrials
NCT05593575	clinicaltrials
NCT05593575	clinicaltrials
NCT05638880	clinicaltrials
NCT05681273	clinicaltrials
NCT05881720	clinicaltrials
NCT05920005	clinicaltrials
NCT05989503	clinicaltrials
NCT05991284	clinicaltrials
NCT06035978	clinicaltrials
NCT06053580	clinicaltrials
NCT06142383	clinicaltrials
NCT06143566	clinicaltrials
NCT06149104	clinicaltrials
NCT06193044	clinicaltrials
NCT06193187	clinicaltrials
NCT06218199	clinicaltrials
NCT06248112	clinicaltrials
NCT06248112	clinicaltrials
NCT06266988	clinicaltrials
NCT06266988	clinicaltrials
NCT06273254	clinicaltrials
NCT06273254	clinicaltrials
NCT06357104	clinicaltrials
Molport-002-507-854	molport
Molport-003-666-608	molport
50049186	bindingdb
The data in this table is sourced from UniChem at EBI.