Dataset

Anthraquinone

This MassBank record with Accession MSBNK-Eawag-EQ01132703 contains the MS2 mass spectrum of Anthraquinone with the InChIkey RZVHIXYEVGDQDX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
SMILES	C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O
InChI Key	RZVHIXYEVGDQDX-UHFFFAOYSA-N
Molecular Formula	C14H8O2
Exact Mass	208.052 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01132703
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T14:10:16.999297
MetadataModified	2025-02-09T10:34:10.989992
MetadataPublished	2023-04-27
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD001384	ProbesDrugs
030MS0JBDO	FDA SRS
LSM-19969	LINCS
90530-46-4	ACToR
84-65-1	ACToR
790240-52-7	ACToR
15438863	PubChem: Thomson Pharma
6780	PubChem
478057	eMolecules
MCULE-4655011423	Mcule
40448	ChEBI
10015932	NMRShiftDB
SCHEMBL14943	SureChEMBL
ZINC000003847491	ZINC
175471	Brenda
16780	Brenda
135951	Brenda
CB5420557	ChemicalBook
CHEMBL55659	ChEMBL
C16207	KEGG Ligand
9TA	PDBe
J294A	Nikkaji
HMDB0248468	Human Metabolome Database
ANTQUO	CCDC
50094892	BindingDB
9,10-ANTHRAQUINONE	rxnorm
HY-N0354	MedChemExpress
DTXSID3020095	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.