Dataset

gamma-Undecalactone

This MassBank record with Accession MSBNK-Fiocruz-FIO00259 contains the MS2 mass spectrum of gamma-Undecalactone with the InChIkey PHXATPHONSXBIL-JTQLQIEISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3/t10-/m0/s1
SMILES CCCCCCC[C@@H](C1)OC(=O)C1
InChI Key PHXATPHONSXBIL-JTQLQIEISA-N
Molecular Formula C11H20O2
Exact Mass 184.146 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-FIO00259
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:43:25.334656
MetadataModified 2024-01-11T16:43:25.518624
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PIWTUO CCDC
J566.140D Nikkaji
441644 PubChem
14772803 PubChem: Thomson Pharma
SCHEMBL333202 SureChEMBL
60019212 NMRShiftDB
ZINC000008221195 ZINC
10580 ChEBI
C08571 KEGG Ligand
The data in this table is sourced from UniChem at EBI.