Dataset

1,8,9-Anthracenetriol

This MassBank record with Accession MSBNK-BS-BS003005 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-BS003005
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:09.056015
MetadataModified 2024-01-11T12:35:09.223410
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2756 ChEBI
CHEMBL1579066 ChEMBL
2724713 eMolecules
480-22-8 ACToR
10187 PubChem
14773698 PubChem: Thomson Pharma
SCHEMBL3198 SureChEMBL
PD013795 ProbesDrugs
ZINC000100014431 ZINC
CB3368709 ChemicalBook
DTXSID7026231 EPA CompTox Dashboard
50065 BindingDB
MolPort-005-933-608 MolPort
HMDB0244253 Human Metabolome Database
J5.223J Nikkaji
The data in this table is sourced from UniChem at EBI.