Dataset

Anthraquinone base + 2O, MeOH, O-Hex-Pen

This MassBank record with Accession MSBNK-RIKEN-PR309399 contains the MS2 mass spectrum of Anthraquinone base + 2O, MeOH, O-Hex-Pen with the InChIkey NVKNRXOMCYTFJF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H28O14/c27-6-12-14(5-11-16(19(12)31)18(30)10-4-2-1-3-9(10)17(11)29)39-26-24(36)22(34)21(33)15(40-26)8-38-25-23(35)20(32)13(28)7-37-25/h1-5,13,15,20-28,31-36H,6-8H2
SMILES O=C3C=5C=CC=CC=5(C(=O)C=4C(O)=C(C(OC2OC(COC1OCC(O)C(O)C1(O))C(O)C(O)C2(O))=CC3=4)CO)
InChI Key NVKNRXOMCYTFJF-UHFFFAOYSA-N
Molecular Formula C26H28O14
Exact Mass 564.496 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-PR309399
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:41.770747
MetadataModified 2024-01-11T20:43:41.968502
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60072164 NMRShiftDB
21917783 PubChem
The data in this table is sourced from UniChem at EBI.