Dataset

Carbofuran

This MassBank record with Accession MSBNK-AGILENT-AG000054 contains the MS2 mass spectrum of Carbofuran with the InChIkey DUEPRVBVGDRKAG-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
SMILES	CNC(=O)OC1=CC=CC2CC(C)(C)OC1=2
InChI Key	DUEPRVBVGDRKAG-UHFFFAOYSA-N
Molecular Formula	C12H15NO3
Exact Mass	221.105 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000054
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:29:15.767409
MetadataModified	2024-01-11T09:29:15.946764
MetadataPublished	2023-02-17

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C14291	KEGG Ligand
34611	ChEBI
CHEMBL416081	ChEMBL
J3.369C	Nikkaji
FOMWAG	CCDC
ZINC000000056963	ZINC
DTXSID9020249	EPA CompTox Dashboard
50064619	BindingDB
507164	eMolecules
HMDB0031770	Human Metabolome Database
8632	Brenda
2566	PubChem
20039305	NMRShiftDB
14892315	PubChem: Thomson Pharma
SCHEMBL21656	SureChEMBL
1563-66-2	ACToR
LSM-3186	LINCS
SKF77S6Y67	FDA SRS
PD080593	ProbesDrugs
The data in this table is sourced from UniChem at EBI.