Dataset

1,2-Di-O-sinapoyl-beta-D-glucose

This MassBank record with Accession MSBNK-CASMI_2012-SMI00021 contains the MS2 mass spectrum of 1,2-Di-O-sinapoyl-beta-D-glucose with the InChIkey KQDOTXAUJBODDM-STUNQXDBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H32O14/c1-36-16-9-14(10-17(37-2)23(16)32)5-7-21(30)41-27-26(35)25(34)20(13-29)40-28(27)42-22(31)8-6-15-11-18(38-3)24(33)19(12-15)39-4/h5-12,20,25-29,32-35H,13H2,1-4H3/b7-5+,8-6+/t20-,25-,26+,27-,28+/m1/s1
SMILES COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC)CO)O)O
InChI Key KQDOTXAUJBODDM-STUNQXDBSA-N
Molecular Formula C28H32O14
Exact Mass 592.179 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2012-SMI00021
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:41:51.611346
MetadataModified 2024-01-11T12:41:51.763239
MetadataPublished 2012-08-31
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables