Dataset

3-Hydroxyanthranilic acid

This MassBank record with Accession MSBNK-Fiocruz-FIO00670 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-FIO00670
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:43:24.930609
MetadataModified	2024-01-11T16:43:25.104112
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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