Dataset

3-Hydroxyanthranilic acid

This MassBank record with Accession MSBNK-Fiocruz-FIO00668 contains the MS2 mass spectrum of 3-Hydroxyanthranilic acid with the InChIkey WJXSWCUQABXPFS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
SMILES	OC(=O)c(c1)c(N)c(O)cc1
InChI Key	WJXSWCUQABXPFS-UHFFFAOYSA-N
Molecular Formula	C7H7NO3
Exact Mass	153.043 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00668
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:39:38.416527
MetadataModified	2024-01-11T16:39:38.581529
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HY-W001171	MedChemExpress
ZINC000000388292	ZINC
DTXSID40203290	EPA CompTox Dashboard
2709	Brenda
20037773	NMRShiftDB
MolPort-001-739-603	MolPort
J1.608J	Nikkaji
MCULE-1178445402	Mcule
SCHEMBL88229	SureChEMBL
548-93-6	ACToR
3hanthrn	Recon
LSM-20979	LINCS
1UQB1BT4OT	FDA SRS
86	PubChem
PD006740	ProbesDrugs
15170924	PubChem: Thomson Pharma
152196	Brenda
1369	Brenda
HMDB0001476	Human Metabolome Database
CB8291725	ChemicalBook
MTBLC15793	Metabolights
DB03644	DrugBank
C00632	KEGG Ligand
CHEMBL445304	ChEMBL
15793	ChEBI
3HA	PDBe
482417	eMolecules
The data in this table is sourced from UniChem at EBI.