Dataset

DHB, Gensigen, 5-Hydroxysalicylic acid, Gentisic acid, Gentalpin, Gentidol, 2,5-Dihydroxybenzoate, 2,5-Dioxybenzoic acid, Gentisate, 2,5-dihydroxy benzoic acid, Gentinatre, Gentasol, 2,5-DHBA, Gentisan, Hydroquinonecarboxylic acid, Gentisod; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS095209 contains the MS2 mass spectrum of DHB, Gensigen, 5-Hydroxysalicylic acid, Gentisic acid, Gentalpin, Gentidol, 2,5-Dihydroxybenzoate, 2,5-Dioxybenzoic acid, Gentisate, 2,5-dihydroxy benzoic acid, Gentinatre, Gentasol, 2,5-DHBA, Gentisan, Hydroquinonecarboxylic acid, Gentisod with the InChIkey WXTMDXOMEHJXQO-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
SMILES	C1=CC(=C(C=C1O)C(=O)O)O
InChI Key	WXTMDXOMEHJXQO-UHFFFAOYSA-N
Molecular Formula	C7H6O4
Exact Mass	154.121 g/mol

Data and Resources

DHB, Gensigen, 5-Hydroxysalicylic acid,...HTML

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Related Molecule ⌄

2,5-dihydroxybenzoic acid

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-PS095209
Version
Author
Maintainer
Language
MetadataPublished	2009-02-09
Related Molecule	2,5-dihydroxybenzoic acid

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C00628	KEGG Ligand
CHEMBL1461	ChEMBL
17189	ChEBI
GTQ	PDBe
50335808	BindingDB
BESKAL	CCDC
J6.046A	Nikkaji
ZINC000000001507	ZINC
3260	DrugCentral
DTXSID4060078	EPA CompTox Dashboard
GENTISIC ACID	rxnorm
HY-W001179	MedChemExpress
482486	eMolecules
PD002127	ProbesDrugs
221726	Brenda
VP36V95O3T	FDA SRS
LSM-19031	LINCS
3469	PubChem
SCHEMBL3690	SureChEMBL
15265062	PubChem: Thomson Pharma
490-79-9	ACToR
21610	Brenda
6417	Brenda
2065	Brenda
HMDB0000152	Human Metabolome Database
CB5853669	ChemicalBook
MTBLC17189	Metabolights
MCULE-7171470745	Mcule
10009263	NMRShiftDB
The data in this table is sourced from UniChem at EBI.