Dataset

Formanilide

This MassBank record with Accession MSBNK-UvA_IBED-UI000601 contains the MS2 mass spectrum of Formanilide with the InChIkey DYDNPESBYVVLBO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
SMILES	C1=CC=C(C=C1)NC=O
InChI Key	DYDNPESBYVVLBO-UHFFFAOYSA-N
Molecular Formula	C7H7NO
Exact Mass	121.053 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-UvA_IBED-UI000601
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T19:56:35.982003
MetadataModified	2025-02-09T19:56:36.145773
MetadataPublished	2024-08-27

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J28.435A	Nikkaji
SCHEMBL17211133	SureChEMBL
74419	BindingDB
DTXSID3025338	EPA CompTox Dashboard
MCULE-2492783132	Mcule
KIWXIY	CCDC
CHEMBL1232659	ChEMBL
FAN	PDBe
2805XEA9CL	FDA SRS
SCHEMBL2463	SureChEMBL
16117500	PubChem: Thomson Pharma
103-70-8	ACToR
7671	PubChem
480762	eMolecules
106072	Brenda
ZINC000013550498	ZINC
106756	Brenda
CB8329305	ChemicalBook
42416	ChEBI
90737	NMRShiftDB
The data in this table is sourced from UniChem at EBI.