Dataset

Sodium 4-hydroxy-benzoate, p-Hydroxybenzoic acid sodium salt, Hydroxybenzenecarboxylic acid, 4-hydroxybenzoic acid, 4-Hydroxybenzoic acid sodium salt

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT203210 contains the MS2 mass spectrum of Sodium 4-hydroxy-benzoate, p-Hydroxybenzoic acid sodium salt, Hydroxybenzenecarboxylic acid, 4-hydroxybenzoic acid, 4-Hydroxybenzoic acid sodium salt with the InChIkey FJKROLUGYXJWQN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
SMILES	C1=CC(=CC=C1C(=O)O)O
InChI Key	FJKROLUGYXJWQN-UHFFFAOYSA-N
Molecular Formula	C7H6O3
Exact Mass	138.122 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-RIKEN_ReSpect-PT203210
Version
Author
Maintainer
Language
MetadataCreated	2024-01-15T12:00:45.025337
MetadataModified	2024-01-15T12:00:45.240045
MetadataPublished	2008-07-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
26194	BindingDB
4-HYDROXYBENZOIC ACID	rxnorm
HY-Y0264	MedChemExpress
JOZZIH	CCDC
ZINC000000332752	ZINC
SCHEMBL4110	SureChEMBL
J43.201F	Nikkaji
DTXSID3026647	EPA CompTox Dashboard
CHEMBL441343	ChEMBL
DB04242	DrugBank
30763	ChEBI
PHB	PDBe
12015603	PubChem: Drugs of the Future
C00156	KEGG Ligand
3394	Brenda
365	Brenda
3660	Brenda
1858	Brenda
MTBLC30763	Metabolights
HMDB0000500	Human Metabolome Database
CB1412080	ChemicalBook
43427	Brenda
PD006469	ProbesDrugs
JG8Z55Y12H	FDA SRS
14891552	PubChem: Thomson Pharma
99-96-7	ACToR
10024827	NMRShiftDB
MCULE-1367764897	Mcule
3702506	PubChem
135	PubChem
490868	eMolecules
The data in this table is sourced from UniChem at EBI.