Dataset

2,4-Dinitrophenol; LC-ESI-QTOF; MS2; 150 V

This MassBank record with Accession MSBNK-BAFG-CSL2311092547 contains the MS2 mass spectrum of 2,4-Dinitrophenol with the InChIkey UFBJCMHMOXMLKC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
SMILES Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
InChI Key UFBJCMHMOXMLKC-UHFFFAOYSA-N
Molecular Formula C6H4N2O5
Exact Mass 184.012 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311092547
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • 2,4-dinitrophenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1493 PubChem
    PD001942 ProbesDrugs
    MP-101 clinicaltrials
    15195223 PubChem: Thomson Pharma
    Q13SKS21MN FDA SRS
    LSM-20951 LINCS
    51-28-5 ACToR
    dinitrophenol Atlas
    497156 eMolecules
    MTBLC42017 Metabolights
    1015 Brenda
    97524 Brenda
    4519 Brenda
    CB4854896 ChemicalBook
    ZINC000012358776 ZINC
    MCULE-6678680789 Mcule
    10015989 NMRShiftDB
    SCHEMBL77643 SureChEMBL
    42017 ChEBI
    HMDB0245462 Human Metabolome Database
    DTXSID0020523 EPA CompTox Dashboard
    DNOPHL CCDC
    CB6358550 ChemicalBook
    CHEMBL273386 ChEMBL
    C02496 KEGG Ligand
    DNF PDBe
    DB04528 DrugBank
    The data in this table is sourced from UniChem at EBI.