Dataset

1,8,9-Anthracenetriol

This MassBank record with Accession MSBNK-BS-BS003006 contains the MS2 mass spectrum of 1,8,9-Anthracenetriol with the InChIkey YUTJCNNFTOIOGT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H
SMILES C1(=C(C2=C(C3=C(C(=C(C(=C3[H])[H])[H])O[H])C(=C2C(=C1[H])O[H])O[H])[H])[H])[H]
InChI Key YUTJCNNFTOIOGT-UHFFFAOYSA-N
Molecular Formula C14H10O3
Exact Mass 226.063 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003006
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:18.682233
MetadataModified 2025-02-09T08:48:05.669061
MetadataPublished 2017-12-01
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000100014431 ZINC
PD013795 ProbesDrugs
SCHEMBL3198 SureChEMBL
10187 PubChem
14773698 PubChem: Thomson Pharma
480-22-8 ACToR
2724713 eMolecules
2756 ChEBI
CHEMBL1579066 ChEMBL
HMDB0244253 Human Metabolome Database
J5.223J Nikkaji
50065 BindingDB
DTXSID7026231 EPA CompTox Dashboard
CB3368709 ChemicalBook
The data in this table is sourced from UniChem at EBI.