Dataset

Hymexazol

This MassBank record with Accession MSBNK-Eawag-EQ00348606 contains the MS2 mass spectrum of Hymexazol with the InChIkey KGVPNLBXJKTABS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)
SMILES CC1=CC(=O)NO1
InChI Key KGVPNLBXJKTABS-UHFFFAOYSA-N
Molecular Formula C4H5NO2
Exact Mass 99.032 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-EQ00348606
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:33:48.284837
MetadataModified 2025-02-09T10:33:48.467892
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL244877 ChEMBL
C11103 KEGG Ligand
DTXSID3032622 EPA CompTox Dashboard
NEZNAH CCDC
J3.115A Nikkaji
ZINC000002030961 ZINC
CB1754230 ChemicalBook
24781 PubChem
77257 NMRShiftDB
SCHEMBL20728 SureChEMBL
5827 ChEBI
MCULE-4569959155 Mcule
20T2M875LO FDA SRS
10004-44-1 ACToR
14867159 PubChem: Thomson Pharma
15296978 PubChem: Thomson Pharma
128907-24-4 ACToR
539088 eMolecules
882324 eMolecules
The data in this table is sourced from UniChem at EBI.