Dataset

Genipin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81278 contains the MS mass spectrum of Genipin with the InChIkey AZKVWQKMDGGDSV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3
SMILES COC(=O)C1=COC(C2C1CC=C2CO)O
InChI Key AZKVWQKMDGGDSV-UHFFFAOYSA-N
Molecular Formula C11H14O5
Exact Mass 226.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81278
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:35.416786
MetadataModified 2024-01-11T22:27:35.569318
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
29548263 eMolecules
23340 PubChem
LSM-4955 LINCS
SCHEMBL9609096 SureChEMBL
PD055985 ProbesDrugs
HMDB0035830 Human Metabolome Database
MCULE-5916423668 Mcule
94318 ChEBI
The data in this table is sourced from UniChem at EBI.