Dataset

N8-Acetylspermidine

This MassBank record with Accession MSBNK-Keio_Univ-KO002269 contains the MS2 mass spectrum of N8-Acetylspermidine with the InChIkey FONIWJIDLJEJTL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)
SMILES NCCCNCCCCNC(C)=O
InChI Key FONIWJIDLJEJTL-UHFFFAOYSA-N
Molecular Formula C9H21N3O
Exact Mass 187.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO002269
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T17:26:19.001500
MetadataModified 2025-02-09T14:30:44.517535
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60020504 NMRShiftDB
PD101970 ProbesDrugs
15322203 PubChem: Thomson Pharma
13431-24-8 ACToR
SCHEMBL183049 SureChEMBL
123689 PubChem
HMDB0002189 Human Metabolome Database
2661 Brenda
MTBLC27911 Metabolights
ZINC000001532818 ZINC
DTXSID60158637 EPA CompTox Dashboard
MCULE-7493998252 Mcule
J362.759D Nikkaji
27911 ChEBI
C01029 KEGG Ligand
Q9C PDBe
CHEMBL78630 ChEMBL
The data in this table is sourced from UniChem at EBI.