Dataset

Koninginin E

This MassBank record with Accession MSBNK-AAFC-AC000173 contains the MS2 mass spectrum of Koninginin E with the InChIkey INHVGPIPHZJQOP-ZNMIVQPWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H26O4/c1-2-3-4-5-6-13(18)15-10-7-11-12(17)8-9-14(19)16(11)20-15/h13-15,18-19H,2-10H2,1H3/t13-,14+,15-/m0/s1
SMILES CCCCCC[C@@H]([C@@H]1CCC2=C(O1)[C@@H](CCC2=O)O)O
InChI Key INHVGPIPHZJQOP-ZNMIVQPWSA-N
Molecular Formula C16H26O4
Exact Mass 282.183 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-AAFC-AC000173
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:12.852468
MetadataModified 2024-01-11T09:24:13.002484
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-3036241574 Mcule
ZINC000031156404 ZINC
71279 Brenda
11426065 PubChem
DTXSID00891814 EPA CompTox Dashboard
SCHEMBL20203701 SureChEMBL
J673.815J Nikkaji
181853 ChEBI
70005749 NMRShiftDB
16523246 PubChem: Thomson Pharma
25718165 eMolecules
The data in this table is sourced from UniChem at EBI.