Dataset

Casticin

This MassBank record with Accession MSBNK-Fiocruz-FIO00424 contains the MS2 mass spectrum of Casticin with the InChIkey PJQLSMYMOKWUJG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
SMILES COc(c3)c(O)cc(c3)C(O1)=C(OC)C(=O)c(c(O)2)c(cc(OC)c(OC)2)1
InChI Key PJQLSMYMOKWUJG-UHFFFAOYSA-N
Molecular Formula C19H18O8
Exact Mass 374.100 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-FIO00424
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:36:12.461458
MetadataModified 2024-01-11T16:36:12.643797
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables