Dataset

Esculin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81215 contains the MS mass spectrum of Esculin with the InChIkey XHCADAYNFIFUHF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2
SMILES C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O
InChI Key XHCADAYNFIFUHF-UHFFFAOYSA-N
Molecular Formula C15H16O9
Exact Mass 340.079 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81215
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:13.862962
MetadataModified 2024-01-11T22:26:14.030908
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
531-75-9 ACToR
5351506 PubChem
SCHEMBL2894 SureChEMBL
PD056307 ProbesDrugs
10017721 NMRShiftDB
MCULE-7396618201 Mcule
SCHEMBL20179973 SureChEMBL
237203 BindingDB
CHEMBL359043 ChEMBL
1971448 eMolecules
The data in this table is sourced from UniChem at EBI.