Dataset

2-Hydroxynevirapine; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01153908 contains the MS2 mass spectrum of 2-Hydroxynevirapine with the InChIkey LFZSOJABLBVGRJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14N4O2/c1-8-7-11(20)17-14-12(8)18-15(21)10-3-2-6-16-13(10)19(14)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,17,20)(H,18,21)
SMILES CC1=CC(=O)NC2=C1NC(=O)C3=C(N2C4CC4)N=CC=C3
InChI Key LFZSOJABLBVGRJ-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-EQ01153908
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(8),6,12,14-pentaene-5,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    174695 ChEBI
    J1.229.970B Nikkaji
    4O4H2FI42I FDA SRS
    ZINC000022060952 ZINC
    DTXSID90445840 EPA CompTox Dashboard
    17404769 eMolecules
    15892703 PubChem: Thomson Pharma
    CHEMBL4644621 ChEMBL
    HMDB0013912 Human Metabolome Database
    10850461 PubChem
    The data in this table is sourced from UniChem at EBI.