Dataset

Exifone

This MassBank record with Accession MSBNK-Waters-WA002741 contains the MS mass spectrum of Exifone with the InChIkey XEDWWPGWIXPVRQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H
SMILES Oc(c2)c(O)c(O)c(c2)C(=O)c(c1)cc(O)c(O)c(O)1
InChI Key XEDWWPGWIXPVRQ-UHFFFAOYSA-N
Molecular Formula C13H10O7
Exact Mass 278.043 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-Waters-WA002741
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:24.182079
MetadataModified 2024-01-11T22:48:24.399691
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID9044950 EPA CompTox Dashboard
125609 ChEBI
LSM-37157 LINCS
EXIFONE clinicaltrials
CB1404889 ChemicalBook
ZINC000003775294 ZINC
MolPort-005-933-071 MolPort
J9.936H Nikkaji
38K9TOD4EG FDA SRS
PD052320 ProbesDrugs
40399 PubChem
14799537 PubChem: Thomson Pharma
SCHEMBL273096 SureChEMBL
72841-23-7 ACToR
52479-85-3 ACToR
234394 BindingDB
CHEMBL329522 ChEMBL
12014212 PubChem: Drugs of the Future
795752 eMolecules
The data in this table is sourced from UniChem at EBI.