Dataset

1H-Isoindole-1,3(2H)-dione

This MassBank record with Accession MSBNK-UFZ-UA002001 contains the MS2 mass spectrum of 1H-Isoindole-1,3(2H)-dione with the InChIkey XKJCHHZQLQNZHY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
SMILES	c1ccc2c(c1)C(=O)NC2=O
InChI Key	XKJCHHZQLQNZHY-UHFFFAOYSA-N
Molecular Formula	C8H5NO2
Exact Mass	147.032 g/mol

Data and Resources

1H-Isoindole-1,3(2H)-dioneHTML
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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-UFZ-UA002001
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:43:11.805329
MetadataModified	2025-02-09T19:45:04.825463
MetadataPublished	2014-06-24
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
38817	ChEBI
CHEMBL277294	ChEMBL
ZINC000000157623	ZINC
DTXSID3026514	EPA CompTox Dashboard
6052	Brenda
J4.918B	Nikkaji
50350644	BindingDB
PHALIM	CCDC
HMDB0256502	Human Metabolome Database
10006179	NMRShiftDB
MCULE-2271536382	Mcule
103756	Brenda
CB1280074	ChemicalBook
85-41-6	ACToR
1J6PQ7YI80	FDA SRS
6809	PubChem
15297419	PubChem: Thomson Pharma
SCHEMBL64	SureChEMBL
490875	eMolecules
The data in this table is sourced from UniChem at EBI.