Dataset

12-Hydroxynevirapine

This MassBank record with Accession MSBNK-Eawag-EQ01153801 contains the MS2 mass spectrum of 12-Hydroxynevirapine with the InChIkey SEBABOMFNCVZGF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H14N4O2/c20-8-9-5-7-17-14-12(9)18-15(21)11-2-1-6-16-13(11)19(14)10-3-4-10/h1-2,5-7,10,20H,3-4,8H2,(H,18,21)
SMILES C1CC1N2C3=C(C=CC=N3)C(=O)NC4=C(C=CN=C42)CO
InChI Key SEBABOMFNCVZGF-UHFFFAOYSA-N
Molecular Formula C15H14N4O2
Exact Mass 282.112 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01153801
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:56:13.630555
MetadataModified 2025-02-09T09:56:13.820970
MetadataPublished 2024-05-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
146972 Brenda
HMDB0013911 Human Metabolome Database
453338 PubChem
16498743 PubChem: Thomson Pharma
SCHEMBL8888369 SureChEMBL
133627-24-4 ACToR
145206 ChEBI
CHEMBL39343 ChEMBL
1577 BindingDB
MTBLC145206 Metabolights
DTXSID90158261 EPA CompTox Dashboard
J420.607J Nikkaji
Y6L0287CM4 FDA SRS
The data in this table is sourced from UniChem at EBI.