Dataset

Isoeleutherin

This MassBank record with Accession MSBNK-Fiocruz-FIO00617 contains the MS2 mass spectrum of Isoeleutherin with the InChIkey IAJIIJBMBCZPSW-YGPZHTELSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H16O4/c1-8-7-11-13(9(2)20-8)16(18)14-10(15(11)17)5-4-6-12(14)19-3/h4-6,8-9H,7H2,1-3H3/t8?,9-/m1/s1
SMILES COc(c3)c(c(=O)1)c(cc3)c(=O)c(C2)c([C@@H](C)OC(C)2)1
InChI Key IAJIIJBMBCZPSW-YGPZHTELSA-N
Molecular Formula C16H16O4
Exact Mass 272.105 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-FIO00617
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:42:02.804332
MetadataModified 2024-01-11T16:42:03.005048
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134737241 PubChem
The data in this table is sourced from UniChem at EBI.