Dataset

Dalapon

This MassBank record with Accession MSBNK-Eawag-EQ01060153 contains the MS2 mass spectrum of Dalapon with the InChIkey NDUPDOJHUQKPAG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
SMILES CC(C(=O)O)(Cl)Cl
InChI Key NDUPDOJHUQKPAG-UHFFFAOYSA-N
Molecular Formula C3H4Cl2O2
Exact Mass 141.959 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-EQ01060153
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:00:17.945043
MetadataModified 2025-02-09T10:00:18.139641
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6418 PubChem
PD001935 ProbesDrugs
15363650 PubChem: Thomson Pharma
75-99-0 ACToR
VO6PY8ZMRW FDA SRS
492051 eMolecules
SCHEMBL45164 SureChEMBL
20201348 NMRShiftDB
48463 Brenda
48462 Brenda
81859 ChEBI
MCULE-8201912740 Mcule
DTXSID2021575 EPA CompTox Dashboard
ZINC000001686875 ZINC
J2.399J Nikkaji
CB7854251 ChemicalBook
CHEMBL445525 ChEMBL
C18600 KEGG Ligand
The data in this table is sourced from UniChem at EBI.