Dataset

SPERMINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P104701_F638 contains the MS2 mass spectrum of SPERMINE with the InChIkey PFNFFQXMRSDOHW-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
SMILES	NCCCNCCCCNCCCN
InChI Key	PFNFFQXMRSDOHW-UHFFFAOYSA-N
Molecular Formula	C10H26N4
Exact Mass	202.216 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P104701_F638
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:37:38.961452
MetadataModified	2025-02-08T18:46:36.216815
MetadataPublished	2021-12-13

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00127	DrugBank
C00750	KEGG Ligand
CHEMBL23194	ChEMBL
15746	ChEBI
710	Guide to Pharmacology
SPERMINE	rxnorm
HY-B1777	MedChemExpress
234575	Brenda
DTXSID9058781	EPA CompTox Dashboard
J5.246I	Nikkaji
ZINC000001532734	ZINC
79403	BindingDB
197	Brenda
CB6275334	ChemicalBook
CB1111051	ChemicalBook
161306	Brenda
SPM	PDBe
PA164781199	PharmGKB
SPERMINE	clinicaltrials
60020553	NMRShiftDB
2FZ7Y3VOQX	FDA SRS
14748726	PubChem: Thomson Pharma
1103	PubChem
115-04-8	ACToR
PD000288	ProbesDrugs
71-44-3	ACToR
531533	eMolecules
HMDB0001256	Human Metabolome Database
107270	Brenda
107269	Brenda
MTBLC15746	Metabolights
SCHEMBL14965	SureChEMBL
MCULE-4079516211	Mcule
The data in this table is sourced from UniChem at EBI.