Dataset

Bendiocarb

This MassBank record with Accession MSBNK-Athens_Univ-AU260601 contains the MS2 mass spectrum of Bendiocarb with the InChIkey XEGGRYVFLWGFHI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
SMILES CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2
InChI Key XEGGRYVFLWGFHI-UHFFFAOYSA-N
Molecular Formula C11H13NO4
Exact Mass 223.084 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-Athens_Univ-AU260601
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:08:11.202952
MetadataModified 2025-02-08T19:11:05.062251
MetadataPublished 2019-05-30
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2314 PubChem
PD078877 ProbesDrugs
QFH0ZU0A5U FDA SRS
SCHEMBL22080 SureChEMBL
15245143 PubChem: Thomson Pharma
22781-23-3 ACToR
509548 eMolecules
20209682 NMRShiftDB
17241 Brenda
C14433 KEGG Ligand
34556 ChEBI
CHEMBL465018 ChEMBL
50064618 BindingDB
DTXSID9032327 EPA CompTox Dashboard
ZINC000002015426 ZINC
J3.469J Nikkaji
HMDB0248947 Human Metabolome Database
KUZRAZ CCDC
The data in this table is sourced from UniChem at EBI.