Dataset

Redoxcitrinin

This MassBank record with Accession MSBNK-AAFC-AC000801 contains the MS2 mass spectrum of Redoxcitrinin with the InChIkey CBUOBMSAFIYYEJ-ZCFIWIBFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H16O4/c1-6(9(4)15)11-7(2)12(16)8(3)13(17)10(11)5-14/h5-6,16-17H,1-4H3/t6-/m1/s1
SMILES Cc1c(c(c(c(c1O)C)O)C=O)[C@H](C)C(=O)C
InChI Key CBUOBMSAFIYYEJ-ZCFIWIBFSA-N
Molecular Formula C13H16O4
Exact Mass 236.105 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-AC000801
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:25:40.202832
MetadataModified 2024-01-11T09:25:40.347922
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000028537982 ZINC
137628353 PubChem
The data in this table is sourced from UniChem at EBI.