Dataset

Carbaryl

This MassBank record with Accession MSBNK-Athens_Univ-AU262405 contains the MS2 mass spectrum of Carbaryl with the InChIkey CVXBEEMKQHEXEN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
SMILES	CNC(=O)OC1=C2C=CC=CC2=CC=C1
InChI Key	CVXBEEMKQHEXEN-UHFFFAOYSA-N
Molecular Formula	C12H11NO2
Exact Mass	201.079 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU262405
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:49:13.144458
MetadataModified	2024-01-11T09:49:13.285056
MetadataPublished	2019-05-30

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HMDB0249612	Human Metabolome Database
MCULE-7779321694	Mcule
J2.354J	Nikkaji
MolPort-001-826-564	MolPort
20208857	NMRShiftDB
SCHEMBL26737	SureChEMBL
ZINC000000001090	ZINC
DB15930	DrugBank
LSM-37123	LINCS
HY-B1315	MedChemExpress
50128572	BindingDB
3066	DrugCentral
DTXSID9020247	EPA CompTox Dashboard
CARBARYL	rxnorm
27636-33-5	ACToR
3197-92-0	ACToR
11095-11-7	ACToR
63-25-2	ACToR
PD001177	ProbesDrugs
14892051	PubChem: Thomson Pharma
6129	PubChem
R890C8J3N1	FDA SRS
CB9417021	ChemicalBook
139515	Brenda
76949	Brenda
46931	Brenda
1966	Brenda
36931	Brenda
C07491	KEGG Ligand
3390	ChEBI
CHEMBL46917	ChEMBL
497088	eMolecules
The data in this table is sourced from UniChem at EBI.