Dataset

Aloe-emodin

This MassBank record with Accession MSBNK-RIKEN-PR302905 contains the MS2 mass spectrum of Aloe-emodin with the InChIkey YDQWDHRMZQUTBA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
SMILES OCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=O
InChI Key YDQWDHRMZQUTBA-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.240 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-PR302905
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MetadataCreated 2024-01-11T20:04:46.849893
MetadataModified 2025-02-09T18:33:41.067966
MetadataPublished 2019-03-28
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