Dataset

Efavirenz; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA000367 contains the MS mass spectrum of Efavirenz with the InChIkey XPOQHMRABVBWPR-ZDUSSCGKSA-N.

Chemical Information

InChI	InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
SMILES	Clc(c3)cc(c(c3)1)C(C#CC(C2)C2)(OC(=O)N1)C(F)(F)F
InChI Key	XPOQHMRABVBWPR-ZDUSSCGKSA-N
Molecular Formula	C14H9ClF3NO2
Exact Mass	315.027 g/mol

Data and Resources

EfavirenzHTML

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Related Molecule ⌄

(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000367
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00625	drugbank
CHEBI:119486	chebi
EFZ	rcsb_pdb
CHEMBL223228	chembl
37762	surechembl
64139	pubchem
JE6H2O27P8	fdasrs
PD003010	probes_and_drugs
AJEYAQ	CCDC
1704	brenda
186543	brenda
42381	brenda
HMDB0014763	hmdb
3029	bindingdb
3030	bindingdb
3031	bindingdb
321334	bindingdb
339298	bindingdb
344785	bindingdb
3472	bindingdb
3480	bindingdb
3488	bindingdb
3646	bindingdb
3665	bindingdb
3690	bindingdb
3708	bindingdb
3725	bindingdb
3755	bindingdb
382546	bindingdb
382549	bindingdb
389139	bindingdb
50015378	bindingdb
50015381	bindingdb
50015382	bindingdb
50238025	bindingdb
50249406	bindingdb
50249412	bindingdb
50249418	bindingdb
50249424	bindingdb
50249574	bindingdb
50296023	bindingdb
50296846	bindingdb
50315368	bindingdb
50315373	bindingdb
50315377	bindingdb
50338411	bindingdb
50450082	bindingdb
50458	bindingdb
50463	bindingdb
50467	bindingdb
50472	bindingdb
50476	bindingdb
50481	bindingdb
50486	bindingdb
50489	bindingdb
50494	bindingdb
50497	bindingdb
50731391	bindingdb
50733858	bindingdb
50734532	bindingdb
50734852	bindingdb
50772805	bindingdb
50772917	bindingdb
50773020	bindingdb
50773420	bindingdb
50803489	bindingdb
50803495	bindingdb
50803512	bindingdb
50803519	bindingdb
50803522	bindingdb
50803572	bindingdb
50819722	bindingdb
50828923	bindingdb
50828926	bindingdb
50828929	bindingdb
50828930	bindingdb
50829021	bindingdb
50838400	bindingdb
50838405	bindingdb
50838417	bindingdb
50838423	bindingdb
50839176	bindingdb
50986612	bindingdb
51003187	bindingdb
51003190	bindingdb
51003210	bindingdb
51003216	bindingdb
51030022	bindingdb
51112244	bindingdb
51112253	bindingdb
51112261	bindingdb
51112268	bindingdb
51112272	bindingdb
51112275	bindingdb
51112276	bindingdb
51112294	bindingdb
51118621	bindingdb
51124173	bindingdb
51124177	bindingdb
51134945	bindingdb
51134982	bindingdb
51135014	bindingdb
51135029	bindingdb
51137358	bindingdb
51140227	bindingdb
51144835	bindingdb
51146465	bindingdb
51146489	bindingdb
51146532	bindingdb
51154722	bindingdb
51154726	bindingdb
51154733	bindingdb
51162369	bindingdb
51162372	bindingdb
51162374	bindingdb
51163799	bindingdb
51164340	bindingdb
51164408	bindingdb
51167551	bindingdb
51167611	bindingdb
51167676	bindingdb
51168020	bindingdb
51169234	bindingdb
51169251	bindingdb
51169253	bindingdb
51169479	bindingdb
51169485	bindingdb
51169488	bindingdb
51169492	bindingdb
51169495	bindingdb
51169499	bindingdb
51170605	bindingdb
51171522	bindingdb
51172487	bindingdb
51172509	bindingdb
51172517	bindingdb
51172525	bindingdb
51174954	bindingdb
51174955	bindingdb
51174959	bindingdb
51174963	bindingdb
51176465	bindingdb
51176467	bindingdb
51176469	bindingdb
51176634	bindingdb
51176635	bindingdb
51176638	bindingdb
51176639	bindingdb
51176641	bindingdb
51176644	bindingdb
51176999	bindingdb
51177001	bindingdb
51177918	bindingdb
51177923	bindingdb
51177966	bindingdb
51178433	bindingdb
51179230	bindingdb
51179264	bindingdb
51179268	bindingdb
51181114	bindingdb
51181115	bindingdb
51185344	bindingdb
51185902	bindingdb
51192156	bindingdb
51195991	bindingdb
51200338	bindingdb
51203491	bindingdb
51206657	bindingdb
51209474	bindingdb
51209778	bindingdb
51209820	bindingdb
51212414	bindingdb
51212538	bindingdb
51213103	bindingdb
51213404	bindingdb
51219548	bindingdb
51219804	bindingdb
51220095	bindingdb
51220105	bindingdb
51220108	bindingdb
51221158	bindingdb
51221167	bindingdb
51221178	bindingdb
51221191	bindingdb
51221195	bindingdb
51221222	bindingdb
51221225	bindingdb
51221246	bindingdb
51230383	bindingdb
51242021	bindingdb
51258137	bindingdb
51262245	bindingdb
51267834	bindingdb
51267839	bindingdb
51285452	bindingdb
51285453	bindingdb
51286620	bindingdb
51297159	bindingdb
51310516	bindingdb
51315275	bindingdb
51315324	bindingdb
51334473	bindingdb
51334483	bindingdb
51334490	bindingdb
51362580	bindingdb
51366818	bindingdb
51375586	bindingdb
51375596	bindingdb
51392251	bindingdb
51392264	bindingdb
51393668	bindingdb
51393683	bindingdb
51393698	bindingdb
51393713	bindingdb
51393728	bindingdb
51393749	bindingdb
51399531	bindingdb
51399555	bindingdb
51399579	bindingdb
51399601	bindingdb
51399625	bindingdb
51402337	bindingdb
51402352	bindingdb
51402367	bindingdb
51402382	bindingdb
51417343	bindingdb
51437699	bindingdb
51441003	bindingdb
51441038	bindingdb
51441044	bindingdb
51441050	bindingdb
51441056	bindingdb
51441062	bindingdb
51441068	bindingdb
51441074	bindingdb
51447068	bindingdb
51456643	bindingdb
51476087	bindingdb
51481666	bindingdb
51484523	bindingdb
51484927	bindingdb
51535130	bindingdb
51541074	bindingdb
51541580	bindingdb
51541927	bindingdb
51546127	bindingdb
51553788	bindingdb
51554271	bindingdb
51573122	bindingdb
60596	bindingdb
60597	bindingdb
60598	bindingdb
60599	bindingdb
60600	bindingdb
7959	bindingdb
7965	bindingdb
7971	bindingdb
8161	bindingdb
8168	bindingdb
8175	bindingdb
Molport-003-983-924	molport
Molport-051-608-175	molport
989	drugcentral
The data in this table is sourced from UniChem at EBI.