Dataset

Bentazone

This MassBank record with Accession MSBNK-Athens_Univ-AU325854 contains the MS2 mass spectrum of Bentazone with the InChIkey ZOMSMJKLGFBRBS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
SMILES	c12c(C(N(C(C)C)S(N1)(=O)=O)=O)cccc2
InChI Key	ZOMSMJKLGFBRBS-UHFFFAOYSA-N
Molecular Formula	C10H12N2O3S
Exact Mass	240.057 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU325854
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:47:11.607732
MetadataModified	2025-02-08T19:06:52.444220
MetadataPublished	2016-02-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J1.875I	Nikkaji
HMDB0248965	Human Metabolome Database
DTXSID0023901	EPA CompTox Dashboard
FAXVAB	CCDC
HY-B2039	MedChemExpress
3018	ChEBI
135702	Brenda
C10965	KEGG Ligand
CHEMBL1567045	ChEMBL
R4S7ZGZ9CT	FDA SRS
LSM-20931	LINCS
14843960	PubChem: Thomson Pharma
25057-89-0	ACToR
12705-05-4	ACToR
509566	eMolecules
SCHEMBL53939	SureChEMBL
2328	PubChem
20209213	NMRShiftDB
ZINC000095630288	ZINC
135965	Brenda
CB7235319	ChemicalBook
The data in this table is sourced from UniChem at EBI.