Dataset

Rubrofusarin

This MassBank record with Accession MSBNK-AAFC-AC000707 contains the MS2 mass spectrum of Rubrofusarin with the InChIkey FPNKCZKRICBAKG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12O5/c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18/h3-6,17-18H,1-2H3
SMILES CC1=CC(=O)C2=C(O1)C=C3C=C(C=C(C3=C2O)O)OC
InChI Key FPNKCZKRICBAKG-UHFFFAOYSA-N
Molecular Formula C15H12O5
Exact Mass 272.068 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-AC000707
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:21:38.326576
MetadataModified 2024-01-11T09:21:38.502209
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL475086 ChEMBL
C09047 KEGG Ligand
HY-130307 MedChemExpress
DTXSID90189171 EPA CompTox Dashboard
MTBLC8908 Metabolights
533T23P5CF FDA SRS
31704580 eMolecules
72537 PubChem
15442100 PubChem: Thomson Pharma
SCHEMBL486101 SureChEMBL
3567-00-8 ACToR
RUBFUS CCDC
8908 ChEBI
J13.000A Nikkaji
20025166 NMRShiftDB
The data in this table is sourced from UniChem at EBI.