Dataset

Nitrofen

This MassBank record with Accession MSBNK-UFZ-UA004305 contains the MS2 mass spectrum of Nitrofen with the InChIkey XITQUSLLOSKDTB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
SMILES C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
InChI Key XITQUSLLOSKDTB-UHFFFAOYSA-N
Molecular Formula C12H7Cl2NO3
Exact Mass 282.980 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA004305
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:50:58.346031
MetadataModified 2025-02-09T19:49:01.517506
MetadataPublished 2014-06-24
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL561004 ChEMBL
CB9103795 ChemicalBook
ZINC000000071446 ZINC
DTXSID7020970 EPA CompTox Dashboard
HY-B1877 MedChemExpress
7590 ChEBI
HMDB0041951 Human Metabolome Database
55892 Brenda
MCULE-8777448447 Mcule
15787 PubChem
PD053834 ProbesDrugs
N71UYG034A FDA SRS
15418395 PubChem: Thomson Pharma
SCHEMBL38981 SureChEMBL
1836-75-5 ACToR
498474 eMolecules
The data in this table is sourced from UniChem at EBI.