Dataset

N'-Monoacetylspermine, N1-Acetylspermine Trihydrochloride

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS066104 contains the MS2 mass spectrum of N'-Monoacetylspermine, N1-Acetylspermine Trihydrochloride with the InChIkey GUNURVWAJRRUAV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
SMILES CC(=O)NCCCNCCCCNCCCN
InChI Key GUNURVWAJRRUAV-UHFFFAOYSA-N
Molecular Formula C12H28N4O
Exact Mass 244.383 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-RIKEN_ReSpect-PS066104
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:23.822136
MetadataModified 2024-01-11T21:07:24.019246
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL131004 ChEMBL
C02567 KEGG Ligand
SP5 PDBe
17312 ChEBI
1108 Brenda
J402.973I Nikkaji
DTXSID40180274 EPA CompTox Dashboard
916 PubChem
60020962 NMRShiftDB
14749674 PubChem: Thomson Pharma
25593-72-0 ACToR
PD044917 ProbesDrugs
ZINC000003870097 ZINC
HMDB0001186 Human Metabolome Database
128813 Brenda
MTBLC17312 Metabolights
SCHEMBL193116 SureChEMBL
The data in this table is sourced from UniChem at EBI.