Dataset

Citrinin

This MassBank record with Accession MSBNK-AAFC-AC000431 contains the MS2 mass spectrum of Citrinin with the InChIkey CBGDIJWINPWWJW-IYSWYEEDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1
SMILES C[C@@H]1[C@H](OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C
InChI Key CBGDIJWINPWWJW-IYSWYEEDSA-N
Molecular Formula C13H14O5
Exact Mass 250.084 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-AAFC-AC000431
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:23:26.256058
MetadataModified 2024-01-11T09:23:26.411060
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
54680783 PubChem
J2.339.609B Nikkaji
PD147937 ProbesDrugs
60077644 NMRShiftDB
The data in this table is sourced from UniChem at EBI.