Dataset

4-Methylumbelliferyl-beta-D-glucuronide

This MassBank record with Accession MSBNK-CASMI_2016-SM832751 contains the MS2 mass spectrum of 4-Methylumbelliferyl-beta-D-glucuronide with the InChIkey ARQXEQLMMNGFDU-JHZZJYKESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1
SMILES CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI Key ARQXEQLMMNGFDU-JHZZJYKESA-N
Molecular Formula C16H16O9
Exact Mass 352.079 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2016-SM832751
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:42:21.901080
MetadataModified 2024-01-11T12:42:22.051043
MetadataPublished 2016-12-12
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables