Dataset

SPERMIDINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P104601_EF88 contains the MS2 mass spectrum of SPERMIDINE with the InChIkey ATHGHQPFGPMSJY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
SMILES	NCCCCNCCCN
InChI Key	ATHGHQPFGPMSJY-UHFFFAOYSA-N
Molecular Formula	C7H19N3
Exact Mass	145.158 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P104601_EF88
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:31:48.662596
MetadataModified	2024-01-11T09:31:48.848093
MetadataPublished	2021-12-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
148	Brenda
CB2165662	ChemicalBook
11155	Brenda
MTBLC16610	Metabolights
HMDB0001257	Human Metabolome Database
161307	Brenda
55168	Brenda
13223	Brenda
ZINC000001532612	ZINC
50009353	BindingDB
SPERMIDINE	rxnorm
DTXSID4036645	EPA CompTox Dashboard
234573	Brenda
LSM-37075	LINCS
MCULE-8096530192	Mcule
HY-B1776	MedChemExpress
U87FK77H25	FDA SRS
1102	PubChem
60018657	NMRShiftDB
PD006808	ProbesDrugs
124-20-9	ACToR
15146776	PubChem: Thomson Pharma
J10.054D	Nikkaji
SCHEMBL15618	SureChEMBL
16610	ChEBI
CHEMBL19612	ChEMBL
SPD	PDBe
2390	Guide to Pharmacology
C00315	KEGG Ligand
DB03566	DrugBank
SPERMIDINE	clinicaltrials
476108	eMolecules
The data in this table is sourced from UniChem at EBI.