Dataset

Swertiamarin

This MassBank record with Accession MSBNK-RIKEN-PR307650 contains the MS2 mass spectrum of Swertiamarin with the InChIkey HEYZWPRKKUGDCR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2
SMILES OCC1OC(OC2OC=C3C(=O)OCCC3(O)C2C=C)C(O)C(O)C1O
InChI Key HEYZWPRKKUGDCR-UHFFFAOYSA-N
Molecular Formula C16H22O10
Exact Mass 374.342 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307650
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:40:05.556246
MetadataModified 2025-02-09T17:35:52.900882
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3515878 PubChem
HMDB0258644 Human Metabolome Database
80002998 NMRShiftDB
181331 ChEBI
PD056204 ProbesDrugs
The data in this table is sourced from UniChem at EBI.