Dataset

Sudan IV

This MassBank record with Accession MSBNK-Athens_Univ-AU565409 contains the MS2 mass spectrum of Sudan IV with the InChIkey RCTGMCJBQGBLKT-PAMTUDGESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,29H,1-2H3/b26-25+,28-27+
SMILES Cc1ccccc1/N=N/c2ccc(c(c2)C)/N=N/c3c4ccccc4ccc3O
InChI Key RCTGMCJBQGBLKT-PAMTUDGESA-N
Molecular Formula C24H20N4O
Exact Mass 380.164 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU565409
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:50:13.602780
MetadataModified 2024-01-11T09:50:13.756733
MetadataPublished 2016-02-26
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-3761588523 Mcule
J3.888A Nikkaji
SCHEMBL62339 SureChEMBL
PD072725 ProbesDrugs
85-83-6 ACToR
I35E9QU96C FDA SRS
SCARLET RED rxnorm
SCARLET RED clinicaltrials
3543 DrugCentral
DTXSID8041743 EPA CompTox Dashboard
HY-D0932 MedChemExpress
14853571 PubChem: Thomson Pharma
C19520 KEGG Ligand
CB5264478 ChemicalBook
ZINC000085205445 ZINC
487691 eMolecules
CHEMBL1707454 ChEMBL
The data in this table is sourced from UniChem at EBI.