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
J1.608J	Nikkaji
20037773	NMRShiftDB
MCULE-1178445402	Mcule
152196	Brenda
MTBLC15793	Metabolights
1369	Brenda
CB8291725	ChemicalBook
HMDB0001476	Human Metabolome Database
HY-W001171	MedChemExpress
2709	Brenda
DTXSID40203290	EPA CompTox Dashboard
ZINC000000388292	ZINC
DB03644	DrugBank
C00632	KEGG Ligand
CHEMBL445304	ChEMBL
15793	ChEBI
3HA	PDBe
482417	eMolecules
The data in this table is sourced from UniChem at EBI.