Dataset

Dasatinib; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01069004 contains the MS2 mass spectrum of Dasatinib with the InChIkey ZBNZXTGUTAYRHI-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
SMILES	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
InChI Key	ZBNZXTGUTAYRHI-UHFFFAOYSA-N
Molecular Formula	C22H26ClN7O2S
Exact Mass	487.156 g/mol

Data and Resources

DasatinibHTML

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Related Molecule ⌄

N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01069004
Version
Author
Maintainer
Language
MetadataPublished	2024-06-14
Related Molecule	N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB01254	drugbank
1N1	rcsb_pdb
CHEMBL1421	chembl
29381185	surechembl
8226	surechembl
3062316	pubchem
X78UG0A0RN	fdasrs
1N1	pdbe
5678	gtopdb
PD003446	probes_and_drugs
RAVPUB	CCDC
273912	brenda
5015	brenda
CHEBI:49375	chebi
HMDB0015384	hmdb
DTXSID4040979	comptox
NCT00036738	clinicaltrials
NCT00064233	clinicaltrials
NCT00070499	clinicaltrials
NCT00099606	clinicaltrials
NCT00101595	clinicaltrials
NCT00101647	clinicaltrials
NCT00101660	clinicaltrials
NCT00101816	clinicaltrials
NCT00103701	clinicaltrials
NCT00103844	clinicaltrials
NCT00112775	clinicaltrials
NCT00123474	clinicaltrials
NCT00123487	clinicaltrials
NCT00162214	clinicaltrials
NCT00254423	clinicaltrials
NCT00255346	clinicaltrials
NCT00298987	clinicaltrials
NCT00306202	clinicaltrials
NCT00316953	clinicaltrials
NCT00320190	clinicaltrials
NCT00324077	clinicaltrials
NCT00337454	clinicaltrials
NCT00339144	clinicaltrials
NCT00345826	clinicaltrials
NCT00349518	clinicaltrials
NCT00362466	clinicaltrials
NCT00364286	clinicaltrials
NCT00371254	clinicaltrials
NCT00371345	clinicaltrials
NCT00385580	clinicaltrials
NCT00388427	clinicaltrials
NCT00390793	clinicaltrials
NCT00391989	clinicaltrials
NCT00410813	clinicaltrials
NCT00423735	clinicaltrials
NCT00429234	clinicaltrials
NCT00429949	clinicaltrials
NCT00436605	clinicaltrials
NCT00438854	clinicaltrials
NCT00439270	clinicaltrials
NCT00444015	clinicaltrials
NCT00452673	clinicaltrials
NCT00459108	clinicaltrials
NCT00459342	clinicaltrials
NCT00464620	clinicaltrials
NCT00470054	clinicaltrials
NCT00474812	clinicaltrials
NCT00481247	clinicaltrials
NCT00482703	clinicaltrials
NCT00495872	clinicaltrials
NCT00500006	clinicaltrials
NCT00501410	clinicaltrials
NCT00504153	clinicaltrials
NCT00507767	clinicaltrials
NCT00509041	clinicaltrials
NCT00529763	clinicaltrials
NCT00538980	clinicaltrials
NCT00544908	clinicaltrials
NCT00546104	clinicaltrials
NCT00549848	clinicaltrials
NCT00550615	clinicaltrials
NCT00560352	clinicaltrials
NCT00560391	clinicaltrials
NCT00560391	clinicaltrials
NCT00560391	clinicaltrials
NCT00563290	clinicaltrials
NCT00564876	clinicaltrials
NCT00566618	clinicaltrials
NCT00568750	clinicaltrials
NCT00570401	clinicaltrials
NCT00570700	clinicaltrials
NCT00597038	clinicaltrials
NCT00598091	clinicaltrials
NCT00608361	clinicaltrials
NCT00609999	clinicaltrials
NCT00652574	clinicaltrials
NCT00655746	clinicaltrials
NCT00662636	clinicaltrials
NCT00671788	clinicaltrials
NCT00672295	clinicaltrials
NCT00696072	clinicaltrials
NCT00700882	clinicaltrials
NCT00717704	clinicaltrials
NCT00720109	clinicaltrials
NCT00744497	clinicaltrials
NCT00754325	clinicaltrials
NCT00764309	clinicaltrials
NCT00767520	clinicaltrials
NCT00777036	clinicaltrials
NCT00779389	clinicaltrials
NCT00779389	clinicaltrials
NCT00780676	clinicaltrials
NCT00787267	clinicaltrials
NCT00787852	clinicaltrials
NCT00787852	clinicaltrials
NCT00788125	clinicaltrials
NCT00792948	clinicaltrials
NCT00816283	clinicaltrials
NCT00817531	clinicaltrials
NCT00820170	clinicaltrials
NCT00826449	clinicaltrials
NCT00829647	clinicaltrials
NCT00835679	clinicaltrials
NCT00850382	clinicaltrials
NCT00852566	clinicaltrials
NCT00858403	clinicaltrials
NCT00859937	clinicaltrials
NCT00860158	clinicaltrials
NCT00866736	clinicaltrials
NCT00869401	clinicaltrials
NCT00872976	clinicaltrials
NCT00872976	clinicaltrials
NCT00882583	clinicaltrials
NCT00892177	clinicaltrials
NCT00892190	clinicaltrials
NCT00895128	clinicaltrials
NCT00895297	clinicaltrials
NCT00895960	clinicaltrials
NCT00903006	clinicaltrials
NCT00918385	clinicaltrials
NCT00918463	clinicaltrials
NCT00920868	clinicaltrials
NCT00924352	clinicaltrials
NCT00940524	clinicaltrials
NCT00948389	clinicaltrials
NCT00949988	clinicaltrials
NCT00978731	clinicaltrials
NCT00979160	clinicaltrials
NCT00982488	clinicaltrials
NCT00996723	clinicaltrials
NCT01004497	clinicaltrials
NCT01015222	clinicaltrials
NCT01030718	clinicaltrials
NCT01051115	clinicaltrials
NCT01092728	clinicaltrials
NCT01116128	clinicaltrials
NCT01173679	clinicaltrials
NCT01218477	clinicaltrials
NCT01234935	clinicaltrials
NCT01238211	clinicaltrials
NCT01254864	clinicaltrials
NCT01256398	clinicaltrials
NCT01260688	clinicaltrials
NCT01306942	clinicaltrials
NCT01310010	clinicaltrials
NCT01342679	clinicaltrials
NCT01357655	clinicaltrials
NCT01392703	clinicaltrials
NCT01395017	clinicaltrials
NCT01398046	clinicaltrials
NCT01398046	clinicaltrials
NCT01410708	clinicaltrials
NCT01426334	clinicaltrials
NCT01440998	clinicaltrials
NCT01441882	clinicaltrials
NCT01445509	clinicaltrials
NCT01460160	clinicaltrials
NCT01460693	clinicaltrials
NCT01467986	clinicaltrials
NCT01471106	clinicaltrials
NCT01482728	clinicaltrials
NCT01488318	clinicaltrials
NCT01491633	clinicaltrials
NCT01498445	clinicaltrials
NCT01514864	clinicaltrials
NCT01593254	clinicaltrials
NCT01609816	clinicaltrials
NCT01620216	clinicaltrials
NCT01627132	clinicaltrials
NCT01643278	clinicaltrials
NCT01643603	clinicaltrials
NCT01644773	clinicaltrials
NCT01652976	clinicaltrials
NCT01660906	clinicaltrials
NCT01660971	clinicaltrials
NCT01685125	clinicaltrials
NCT01703910	clinicaltrials
NCT01724879	clinicaltrials
NCT01725204	clinicaltrials
NCT01744652	clinicaltrials
NCT01751425	clinicaltrials
NCT01771458	clinicaltrials
NCT01802450	clinicaltrials
NCT01804985	clinicaltrials
NCT01826838	clinicaltrials
NCT01850004	clinicaltrials
NCT01872442	clinicaltrials
NCT01876212	clinicaltrials
NCT01876953	clinicaltrials
NCT01887561	clinicaltrials
NCT01916785	clinicaltrials
NCT01990196	clinicaltrials
NCT01999985	clinicaltrials
NCT01999985	clinicaltrials
NCT02011945	clinicaltrials
NCT02013648	clinicaltrials
NCT02043587	clinicaltrials
NCT02047149	clinicaltrials
NCT02047149	clinicaltrials
NCT02059265	clinicaltrials
NCT02081378	clinicaltrials
NCT02113319	clinicaltrials
NCT02129166	clinicaltrials
NCT02143414	clinicaltrials
NCT02233049	clinicaltrials
NCT02268370	clinicaltrials
NCT02269267	clinicaltrials
NCT02297139	clinicaltrials
NCT02326311	clinicaltrials
NCT02389309	clinicaltrials
NCT02420717	clinicaltrials
NCT02428855	clinicaltrials
NCT02465060	clinicaltrials
NCT02494882	clinicaltrials
NCT02523976	clinicaltrials
NCT02559778	clinicaltrials
NCT02596828	clinicaltrials
NCT02638428	clinicaltrials
NCT02661113	clinicaltrials
NCT02680951	clinicaltrials
NCT02689440	clinicaltrials
NCT02690922	clinicaltrials
NCT02709083	clinicaltrials
NCT02720185	clinicaltrials
NCT02744768	clinicaltrials
NCT02750514	clinicaltrials
NCT02779283	clinicaltrials
NCT02815059	clinicaltrials
NCT02819804	clinicaltrials
NCT02848131	clinicaltrials
NCT02874989	clinicaltrials
NCT02883049	clinicaltrials
NCT02888990	clinicaltrials
NCT02890784	clinicaltrials
NCT02923986	clinicaltrials
NCT02954523	clinicaltrials
NCT03020030	clinicaltrials
NCT03023046	clinicaltrials
NCT03041701	clinicaltrials
NCT03079505	clinicaltrials
NCT03117751	clinicaltrials
NCT03193281	clinicaltrials
NCT03216070	clinicaltrials
NCT03297606	clinicaltrials
NCT03352427	clinicaltrials
NCT03414450	clinicaltrials
NCT03515200	clinicaltrials
NCT03516279	clinicaltrials
NCT03560908	clinicaltrials
NCT03564470	clinicaltrials
NCT03573596	clinicaltrials
NCT03595917	clinicaltrials
NCT03625388	clinicaltrials
NCT03654768	clinicaltrials
NCT03844360	clinicaltrials
NCT03878524	clinicaltrials
NCT03906292	clinicaltrials
NCT04063124	clinicaltrials
NCT04115059	clinicaltrials
NCT04126681	clinicaltrials
NCT04147533	clinicaltrials
NCT04155411	clinicaltrials
NCT04164069	clinicaltrials
NCT04284202	clinicaltrials
NCT04313634	clinicaltrials
NCT04329325	clinicaltrials
NCT04530565	clinicaltrials
NCT04578847	clinicaltrials
NCT04580121	clinicaltrials
NCT04603872	clinicaltrials
NCT04626024	clinicaltrials
NCT04626024	clinicaltrials
NCT04685590	clinicaltrials
NCT04733534	clinicaltrials
NCT04747912	clinicaltrials
NCT04785300	clinicaltrials
NCT04830735	clinicaltrials
NCT04835584	clinicaltrials
NCT04838041	clinicaltrials
NCT04845035	clinicaltrials
NCT04872790	clinicaltrials
NCT04877522	clinicaltrials
NCT04925141	clinicaltrials
NCT04925648	clinicaltrials
NCT04933526	clinicaltrials
NCT04946383	clinicaltrials
NCT04971226	clinicaltrials
NCT05007873	clinicaltrials
NCT05036226	clinicaltrials
NCT05143840	clinicaltrials
NCT05192889	clinicaltrials
NCT05198843	clinicaltrials
NCT05422885	clinicaltrials
NCT05432518	clinicaltrials
NCT05433896	clinicaltrials
NCT05439408	clinicaltrials
NCT05506488	clinicaltrials
NCT05523661	clinicaltrials
NCT05527418	clinicaltrials
NCT05559008	clinicaltrials
NCT05638763	clinicaltrials
NCT05640804	clinicaltrials
NCT05653258	clinicaltrials
NCT05724329	clinicaltrials
NCT05724329	clinicaltrials
NCT05725200	clinicaltrials
NCT05751044	clinicaltrials
NCT05780073	clinicaltrials
NCT05838560	clinicaltrials
NCT05944783	clinicaltrials
NCT05993949	clinicaltrials
NCT06018467	clinicaltrials
NCT06055621	clinicaltrials
NCT06124157	clinicaltrials
NCT06145217	clinicaltrials
NCT06257394	clinicaltrials
NCT06336395	clinicaltrials
NCT06355037	clinicaltrials
NCT06390319	clinicaltrials
Molport-003-846-143	molport
785	drugcentral
13216	bindingdb
31089	bindingdb
The data in this table is sourced from UniChem at EBI.