Dataset

Alternariol

This MassBank record with Accession MSBNK-AAFC-AC000062 contains the MS2 mass spectrum of Alternariol with the InChIkey CEBXXEKPIIDJHL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
SMILES CC1=CC(=CC2=C1C3=CC(=CC(=C3C(=O)O2)O)O)O
InChI Key CEBXXEKPIIDJHL-UHFFFAOYSA-N
Molecular Formula C14H10O5
Exact Mass 258.053 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-AC000062
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:26:02.857273
MetadataModified 2024-01-11T09:26:03.047769
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J12.511C Nikkaji
5359485 PubChem
60059645 NMRShiftDB
PD019701 ProbesDrugs
KN9L4260JW FDA SRS
641-38-3 ACToR
SCHEMBL1096830 SureChEMBL
64983 ChEBI
CB3297090 ChemicalBook
HMDB0030831 Human Metabolome Database
143768 Brenda
16510430 PubChem: Thomson Pharma
MTBLC64983 Metabolights
MCULE-2577421243 Mcule
DTXSID80214305 EPA CompTox Dashboard
HY-N6714 MedChemExpress
TUPJOE CCDC
50479267 BindingDB
ZINC000000402623 ZINC
C16838 KEGG Ligand
CHEMBL519982 ChEMBL
533815 eMolecules
The data in this table is sourced from UniChem at EBI.