Dataset

4-Hydroxybenzaldehyde

This MassBank record with Accession MSBNK-Eawag-EQ01149708 contains the MS2 mass spectrum of 4-Hydroxybenzaldehyde with the InChIkey RGHHSNMVTDWUBI-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
SMILES	C1=CC(=CC=C1C=O)O
InChI Key	RGHHSNMVTDWUBI-UHFFFAOYSA-N
Molecular Formula	C7H6O2
Exact Mass	122.037 g/mol

Data and Resources

4-HydroxybenzaldehydeHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01149708
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:54:58.643409
MetadataModified	2025-02-09T09:54:58.846512
MetadataPublished	2024-05-08

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
126	PubChem
14867231	PubChem: Thomson Pharma
SCHEMBL37193	SureChEMBL
123-08-0	ACToR
65581-83-1	ACToR
O1738X3Y38	FDA SRS
PD006812	ProbesDrugs
481831	eMolecules
10005739	NMRShiftDB
MCULE-3788300475	Mcule
CB6446138	ChemicalBook
17597	Rhea
HMDB0011718	Human Metabolome Database
108410	Brenda
3659	Brenda
34543	Brenda
711	Brenda
MTBLC17597	Metabolights
CHEMBL14193	ChEMBL
HBA	PDBe
17597	ChEBI
C00633	KEGG Ligand
DB03560	DrugBank
J43.312H	Nikkaji
50177411	BindingDB
PHBALD	CCDC
ZINC000000156709	ZINC
DTXSID8059552	EPA CompTox Dashboard
233478	Brenda
HY-Y0313	MedChemExpress
The data in this table is sourced from UniChem at EBI.