Dataset

Lapatinib; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL2311091799 contains the MS2 mass spectrum of Lapatinib with the InChIkey BCFGMOOMADDAQU-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
SMILES	CS(=O)(CCNCC1=CC=C(C2=CC3=C(N=CN=C3NC4=CC(Cl)=C(OCC5=CC(F)=CC=C5)C=C4)C=C2)O1)=O
InChI Key	BCFGMOOMADDAQU-UHFFFAOYSA-N
Molecular Formula	C29H26ClFN4O4S
Exact Mass	580.135 g/mol

Data and Resources

LapatinibHTML

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Related Molecule ⌄

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine

Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311091799
Version
Author
Maintainer
Language
MetadataPublished	2023-11-09
Related Molecule	N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB01259	drugbank
FMM	rcsb_pdb
CHEMBL554	chembl
29351024	surechembl
29464189	surechembl
8100	surechembl
208908	pubchem
0VUA21238F	fdasrs
FMM	pdbe
5692	gtopdb
PD003505	probes_and_drugs
OVAYOB	CCDC
183719	brenda
213440	brenda
CHEBI:49603	chebi
HMDB0015388	hmdb
DTXSID7046675	comptox
NCT00044330	clinicaltrials
NCT00044343	clinicaltrials
NCT00062686	clinicaltrials
NCT00073008	clinicaltrials
NCT00073528	clinicaltrials
NCT00075270	clinicaltrials
NCT00078572	clinicaltrials
NCT00089999	clinicaltrials
NCT00105950	clinicaltrials
NCT00111787	clinicaltrials
NCT00148902	clinicaltrials
NCT00158782	clinicaltrials
NCT00169533	clinicaltrials
NCT00206427	clinicaltrials
NCT00225758	clinicaltrials
NCT00239200	clinicaltrials
NCT00251433	clinicaltrials
NCT00258050	clinicaltrials
NCT00259987	clinicaltrials
NCT00263588	clinicaltrials
NCT00272987	clinicaltrials
NCT00281658	clinicaltrials
NCT00299286	clinicaltrials
NCT00313599	clinicaltrials
NCT00316407	clinicaltrials
NCT00317434	clinicaltrials
NCT00320385	clinicaltrials
NCT00320411	clinicaltrials
NCT00338247	clinicaltrials
NCT00343759	clinicaltrials
NCT00347919	clinicaltrials
NCT00347919	clinicaltrials
NCT00350727	clinicaltrials
NCT00356811	clinicaltrials
NCT00359190	clinicaltrials
NCT00367471	clinicaltrials
NCT00371488	clinicaltrials
NCT00371566	clinicaltrials
NCT00374322	clinicaltrials
NCT00387127	clinicaltrials
NCT00388076	clinicaltrials
NCT00404066	clinicaltrials
NCT00422903	clinicaltrials
NCT00424255	clinicaltrials
NCT00429299	clinicaltrials
NCT00430781	clinicaltrials
NCT00436644	clinicaltrials
NCT00437073	clinicaltrials
NCT00444535	clinicaltrials
NCT00447122	clinicaltrials
NCT00447226	clinicaltrials
NCT00450203	clinicaltrials
NCT00450892	clinicaltrials
NCT00455039	clinicaltrials
NCT00470704	clinicaltrials
NCT00470847	clinicaltrials
NCT00477464	clinicaltrials
NCT00479856	clinicaltrials
NCT00486668	clinicaltrials
NCT00486954	clinicaltrials
NCT00490061	clinicaltrials
NCT00490139	clinicaltrials
NCT00495872	clinicaltrials
NCT00496366	clinicaltrials
NCT00508274	clinicaltrials
NCT00513058	clinicaltrials
NCT00513253	clinicaltrials
NCT00516672	clinicaltrials
NCT00524303	clinicaltrials
NCT00526669	clinicaltrials
NCT00528281	clinicaltrials
NCT00536809	clinicaltrials
NCT00543504	clinicaltrials
NCT00548184	clinicaltrials
NCT00553358	clinicaltrials
NCT00558103	clinicaltrials
NCT00567554	clinicaltrials
NCT00574171	clinicaltrials
NCT00614978	clinicaltrials
NCT00632489	clinicaltrials
NCT00634088	clinicaltrials
NCT00634088	clinicaltrials
NCT00650910	clinicaltrials
NCT00657137	clinicaltrials
NCT00657137	clinicaltrials
NCT00680901	clinicaltrials
NCT00682279	clinicaltrials
NCT00694252	clinicaltrials
NCT00709618	clinicaltrials
NCT00709761	clinicaltrials
NCT00721630	clinicaltrials
NCT00754702	clinicaltrials
NCT00756470	clinicaltrials
NCT00759642	clinicaltrials
NCT00777101	clinicaltrials
NCT00790816	clinicaltrials
NCT00807859	clinicaltrials
NCT00807859	clinicaltrials
NCT00820222	clinicaltrials
NCT00820924	clinicaltrials
NCT00821054	clinicaltrials
NCT00826241	clinicaltrials
NCT00826267	clinicaltrials
NCT00829166	clinicaltrials
NCT00841828	clinicaltrials
NCT00842998	clinicaltrials
NCT00849329	clinicaltrials
NCT00863122	clinicaltrials
NCT00881621	clinicaltrials
NCT00883688	clinicaltrials
NCT00888810	clinicaltrials
NCT00903656	clinicaltrials
NCT00912275	clinicaltrials
NCT00939523	clinicaltrials
NCT00952692	clinicaltrials
NCT00953576	clinicaltrials
NCT00963547	clinicaltrials
NCT00968968	clinicaltrials
NCT00973739	clinicaltrials
NCT00984425	clinicaltrials
NCT00996762	clinicaltrials
NCT00999804	clinicaltrials
NCT01005641	clinicaltrials
NCT01013740	clinicaltrials
NCT01044485	clinicaltrials
NCT01050322	clinicaltrials
NCT01050322	clinicaltrials
NCT01068704	clinicaltrials
NCT01087983	clinicaltrials
NCT01118975	clinicaltrials
NCT01128543	clinicaltrials
NCT01133912	clinicaltrials
NCT01137994	clinicaltrials
NCT01138046	clinicaltrials
NCT01138384	clinicaltrials
NCT01145404	clinicaltrials
NCT01145404	clinicaltrials
NCT01160211	clinicaltrials
NCT01161368	clinicaltrials
NCT01184482	clinicaltrials
NCT01199367	clinicaltrials
NCT01205217	clinicaltrials
NCT01218529	clinicaltrials
NCT01238029	clinicaltrials
NCT01245660	clinicaltrials
NCT01262469	clinicaltrials
NCT01264081	clinicaltrials
NCT01272141	clinicaltrials
NCT01273610	clinicaltrials
NCT01275859	clinicaltrials
NCT01283789	clinicaltrials
NCT01290354	clinicaltrials
NCT01300962	clinicaltrials
NCT01304784	clinicaltrials
NCT01304784	clinicaltrials
NCT01306045	clinicaltrials
NCT01309607	clinicaltrials
NCT01328054	clinicaltrials
NCT01395537	clinicaltrials
NCT01427322	clinicaltrials
NCT01454479	clinicaltrials
NCT01454804	clinicaltrials
NCT01471847	clinicaltrials
NCT01477060	clinicaltrials
NCT01485926	clinicaltrials
NCT01495884	clinicaltrials
NCT01497626	clinicaltrials
NCT01499160	clinicaltrials
NCT01526369	clinicaltrials
NCT01534455	clinicaltrials
NCT01534455	clinicaltrials
NCT01589861	clinicaltrials
NCT01591577	clinicaltrials
NCT01612351	clinicaltrials
NCT01619111	clinicaltrials
NCT01658358	clinicaltrials
NCT01666431	clinicaltrials
NCT01700010	clinicaltrials
NCT01711658	clinicaltrials
NCT01730677	clinicaltrials
NCT01769508	clinicaltrials
NCT01771458	clinicaltrials
NCT01808573	clinicaltrials
NCT01827163	clinicaltrials
NCT01875666	clinicaltrials
NCT01891357	clinicaltrials
NCT01934894	clinicaltrials
NCT01947023	clinicaltrials
NCT01973660	clinicaltrials
NCT01985893	clinicaltrials
NCT02015169	clinicaltrials
NCT02029001	clinicaltrials
NCT02073487	clinicaltrials
NCT02073916	clinicaltrials
NCT02101905	clinicaltrials
NCT02131506	clinicaltrials
NCT02213042	clinicaltrials
NCT02230553	clinicaltrials
NCT02238509	clinicaltrials
NCT02294786	clinicaltrials
NCT02338245	clinicaltrials
NCT02342587	clinicaltrials
NCT02362958	clinicaltrials
NCT02394496	clinicaltrials
NCT02422199	clinicaltrials
NCT02581124	clinicaltrials
NCT02650752	clinicaltrials
NCT02836847	clinicaltrials
NCT03080805	clinicaltrials
NCT03084939	clinicaltrials
NCT03085368	clinicaltrials
NCT03225937	clinicaltrials
NCT03273595	clinicaltrials
NCT03500380	clinicaltrials
NCT03523585	clinicaltrials
NCT03784014	clinicaltrials
NCT04185649	clinicaltrials
NCT04591431	clinicaltrials
NCT04608409	clinicaltrials
NCT05122494	clinicaltrials
NCT06313983	clinicaltrials
Molport-006-069-221	molport
1548	drugcentral
5445	bindingdb
The data in this table is sourced from UniChem at EBI.