Dataset

12-Hydroxynevirapine; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01153854 contains the MS2 mass spectrum of 12-Hydroxynevirapine with the InChIkey SEBABOMFNCVZGF-UHFFFAOYSA-N.

Chemical Information

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-EQ01153854
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MetadataPublished 2024-05-08
Related Molecule
  • 2-cyclopropyl-7-(hydroxymethyl)-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
    CHEBI:145206 chebi
    CHEMBL39343 chembl
    8888369 surechembl
    453338 pubchem
    146972 brenda
    Y6L0287CM4 fdasrs
    HMDB0013911 hmdb
    Molport-046-196-596 molport
    1577 bindingdb
    The data in this table is sourced from UniChem at EBI.