Dataset

Carbofuran

This MassBank record with Accession MSBNK-AGILENT-AG000053 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-AG000053
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:28:58.041139
MetadataModified	2024-01-11T09:28:58.191066
MetadataPublished	2023-02-17

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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