Dataset

Prometon

This MassBank record with Accession MSBNK-Athens_Univ-AU361905 contains the MS2 mass spectrum of Prometon with the InChIkey ISEUFVQQFVOBCY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
SMILES COC1=NC(NC(C)C)=NC(NC(C)C)=N1
InChI Key ISEUFVQQFVOBCY-UHFFFAOYSA-N
Molecular Formula C10H19N5O
Exact Mass 225.159 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-Athens_Univ-AU361905
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:45:37.274250
MetadataModified 2024-01-11T09:45:37.418973
MetadataPublished 2015-12-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
34934 ChEBI
C14186 KEGG Ligand
CHEMBL1486524 ChEMBL
510086 eMolecules
J9.507I Nikkaji
MCULE-9719565564 Mcule
HMDB0256804 Human Metabolome Database
PROMET CCDC
DY7SQ0399L FDA SRS
LSM-4231 LINCS
11126-75-3 ACToR
4928 PubChem
SCHEMBL22999 SureChEMBL
15172254 PubChem: Thomson Pharma
1610-18-0 ACToR
ZINC000000246221 ZINC
DTXSID6022341 EPA CompTox Dashboard
CB8308519 ChemicalBook
The data in this table is sourced from UniChem at EBI.