Dataset

Nevirapine; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01149802 contains the MS2 mass spectrum of Nevirapine with the InChIkey NQDJXKOVJZTUJA-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
SMILES	CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
InChI Key	NQDJXKOVJZTUJA-UHFFFAOYSA-N
Molecular Formula	C15H14N4O
Exact Mass	266.117 g/mol

Data and Resources

NevirapineHTML

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Related Molecule ⌄

2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01149802
Version
Author
Maintainer
Language
MetadataPublished	2024-05-08
Related Molecule	2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00238	drugbank
CHEBI:63613	chebi
NEV	rcsb_pdb
NIV	rcsb_pdb
NVP	rcsb_pdb
CHEMBL57	chembl
29393780	surechembl
29614675	surechembl
30267890	surechembl
3318	surechembl
4463	pubchem
99DK7FVK1H	fdasrs
NVP	pdbe
12676	gtopdb
PD000851	probes_and_drugs
PABHIJ	CCDC
186541	brenda
1896	brenda
HMDB0014383	hmdb
DTXSID7031797	comptox
NCT00000649	clinicaltrials
NCT00000747	clinicaltrials
NCT00000770	clinicaltrials
NCT00000781	clinicaltrials
NCT00000808	clinicaltrials
NCT00000814	clinicaltrials
NCT00000869	clinicaltrials
NCT00000872	clinicaltrials
NCT00000902	clinicaltrials
NCT00000924	clinicaltrials
NCT00000942	clinicaltrials
NCT00000962	clinicaltrials
NCT00001045	clinicaltrials
NCT00001083	clinicaltrials
NCT00001091	clinicaltrials
NCT00001095	clinicaltrials
NCT00001108	clinicaltrials
NCT00001135	clinicaltrials
NCT00001644	clinicaltrials
NCT00001688	clinicaltrials
NCT00002166	clinicaltrials
NCT00002194	clinicaltrials
NCT00002324	clinicaltrials
NCT00002347	clinicaltrials
NCT00002368	clinicaltrials
NCT00002381	clinicaltrials
NCT00002418	clinicaltrials
NCT00004580	clinicaltrials
NCT00004581	clinicaltrials
NCT00006279	clinicaltrials
NCT00006396	clinicaltrials
NCT00013520	clinicaltrials
NCT00017719	clinicaltrials
NCT00021463	clinicaltrials
NCT00021671	clinicaltrials
NCT00039741	clinicaltrials
NCT00042289	clinicaltrials
NCT00061321	clinicaltrials
NCT00074399	clinicaltrials
NCT00074412	clinicaltrials
NCT00074581	clinicaltrials
NCT00089505	clinicaltrials
NCT00099359	clinicaltrials
NCT00099632	clinicaltrials
NCT00102960	clinicaltrials
NCT00109590	clinicaltrials
NCT00115648	clinicaltrials
NCT00115648	clinicaltrials
NCT00117728	clinicaltrials
NCT00122226	clinicaltrials
NCT00127972	clinicaltrials
NCT00143689	clinicaltrials
NCT00144157	clinicaltrials
NCT00144183	clinicaltrials
NCT00144248	clinicaltrials
NCT00144261	clinicaltrials
NCT00146380	clinicaltrials
NCT00162149	clinicaltrials
NCT00162149	clinicaltrials
NCT00164736	clinicaltrials
NCT00167674	clinicaltrials
NCT00192660	clinicaltrials
NCT00197613	clinicaltrials
NCT00197613	clinicaltrials
NCT00199979	clinicaltrials
NCT00234091	clinicaltrials
NCT00260078	clinicaltrials
NCT00270296	clinicaltrials
NCT00273975	clinicaltrials
NCT00273988	clinicaltrials
NCT00274001	clinicaltrials
NCT00294892	clinicaltrials
NCT00307151	clinicaltrials
NCT00307502	clinicaltrials
NCT00312091	clinicaltrials
NCT00312091	clinicaltrials
NCT00332306	clinicaltrials
NCT00335686	clinicaltrials
NCT00344461	clinicaltrials
NCT00355719	clinicaltrials
NCT00380770	clinicaltrials
NCT00380770	clinicaltrials
NCT00389207	clinicaltrials
NCT00398684	clinicaltrials
NCT00405171	clinicaltrials
NCT00409591	clinicaltrials
NCT00415090	clinicaltrials
NCT00427297	clinicaltrials
NCT00427297	clinicaltrials
NCT00428116	clinicaltrials
NCT00428116	clinicaltrials
NCT00433056	clinicaltrials
NCT00455585	clinicaltrials
NCT00476853	clinicaltrials
NCT00483054	clinicaltrials
NCT00495326	clinicaltrials
NCT00523458	clinicaltrials
NCT00540137	clinicaltrials
NCT00552240	clinicaltrials
NCT00561925	clinicaltrials
NCT00573001	clinicaltrials
NCT00617643	clinicaltrials
NCT00618176	clinicaltrials
NCT00618176	clinicaltrials
NCT00618176	clinicaltrials
NCT00620438	clinicaltrials
NCT00624195	clinicaltrials
NCT00639938	clinicaltrials
NCT00640887	clinicaltrials
NCT00661349	clinicaltrials
NCT00672412	clinicaltrials
NCT00703898	clinicaltrials
NCT00704249	clinicaltrials
NCT00719602	clinicaltrials
NCT00730223	clinicaltrials
NCT00819052	clinicaltrials
NCT00905489	clinicaltrials
NCT00910806	clinicaltrials
NCT00978068	clinicaltrials
NCT01025830	clinicaltrials
NCT01061151	clinicaltrials
NCT01061151	clinicaltrials
NCT01174914	clinicaltrials
NCT01192035	clinicaltrials
NCT01340950	clinicaltrials
NCT01469520	clinicaltrials
NCT01469520	clinicaltrials
NCT01511237	clinicaltrials
NCT01632891	clinicaltrials
NCT01637558	clinicaltrials
NCT01772940	clinicaltrials
NCT01789879	clinicaltrials
NCT01805258	clinicaltrials
NCT02116660	clinicaltrials
NCT02140255	clinicaltrials
NCT02181933	clinicaltrials
NCT02181946	clinicaltrials
NCT02182765	clinicaltrials
NCT02182791	clinicaltrials
NCT02184078	clinicaltrials
NCT02184091	clinicaltrials
NCT02184286	clinicaltrials
NCT02184299	clinicaltrials
NCT02184312	clinicaltrials
NCT02191189	clinicaltrials
NCT02192463	clinicaltrials
NCT02194179	clinicaltrials
NCT02194218	clinicaltrials
NCT02202005	clinicaltrials
NCT02302547	clinicaltrials
NCT02369406	clinicaltrials
NCT02431975	clinicaltrials
NCT02712801	clinicaltrials
NCT03088410	clinicaltrials
Molport-002-507-817	molport
1904	drugcentral
1434	bindingdb
The data in this table is sourced from UniChem at EBI.