Dataset

Aesculetin

This MassBank record with Accession MSBNK-Fiocruz-FIO00084 contains the MS2 mass spectrum of Aesculetin with the InChIkey ILEDWLMCKZNDJK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
SMILES O=C(C=2)Oc(c1)c(C2)cc(O)c(O)1
InChI Key ILEDWLMCKZNDJK-UHFFFAOYSA-N
Molecular Formula C9H6O4
Exact Mass 178.027 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00084
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:34:49.554612
MetadataModified 2024-01-11T16:34:49.752439
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables