Dataset

Glucolesquerellin

This MassBank record with Accession MSBNK-CASMI_2012-SMI00034 contains the MS2 mass spectrum of Glucolesquerellin with the InChIkey ZAKICGFSIJSCSF-LPUQOGTASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1
SMILES CSCCCCCCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI Key ZAKICGFSIJSCSF-LPUQOGTASA-N
Molecular Formula C14H27NO9S3
Exact Mass 449.085 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2012-SMI00034
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:41:50.366854
MetadataModified 2024-01-11T12:41:50.552019
MetadataPublished 2012-08-31
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables