Dataset

Anthraquinone base + 2O, MeOH, O-Hex

This MassBank record with Accession MSBNK-RIKEN-PR309395 contains the MS2 mass spectrum of Anthraquinone base + 2O, MeOH, O-Hex with the InChIkey ASQHVCDULHERIH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O10/c22-6-13-17(26)19(28)20(29)21(31-13)30-7-8-4-10-15(12(24)5-8)18(27)14-9(16(10)25)2-1-3-11(14)23/h1-5,13,17,19-24,26,28-29H,6-7H2
SMILES O=C1C=4C=CC=C(O)C=4(C(=O)C=2C(O)=CC(=CC1=2)COC3OC(CO)C(O)C(O)C3(O))
InChI Key ASQHVCDULHERIH-UHFFFAOYSA-N
Molecular Formula C21H20O10
Exact Mass 432.381 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-RIKEN-PR309395
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:13:51.176344
MetadataModified 2025-02-09T18:30:20.624804
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
176082 ChEBI
HMDB0034405 Human Metabolome Database
53462441 PubChem
The data in this table is sourced from UniChem at EBI.