Dataset

N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS011402 contains the MS2 mass spectrum of N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt with the InChIkey QYPPJABKJHAVHS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
SMILES	C(CCN=C(N)N)CN
InChI Key	QYPPJABKJHAVHS-UHFFFAOYSA-N
Molecular Formula	C5H14N4
Exact Mass	130.195 g/mol

Data and Resources

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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-PS011402
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:23:17.700121
MetadataModified	2025-02-09T19:06:02.173939
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HMDB0001432	Human Metabolome Database
MTBLC17431	Metabolights
21812	Brenda
95599	Brenda
505	Brenda
SCHEMBL19647	SureChEMBL
199	PubChem
60021140	NMRShiftDB
PD008916	ProbesDrugs
70J407ZL5Q	FDA SRS
DB08838	DrugBank
306-60-5	ACToR
15194512	PubChem: Thomson Pharma
1013436	eMolecules
85213	BindingDB
4127	Guide to Pharmacology
DTXSID0040961	EPA CompTox Dashboard
ZINC000001532560	ZINC
J11.608D	Nikkaji
CB3497311	ChemicalBook
CHEMBL58343	ChEMBL
C00179	KEGG Ligand
17431	ChEBI
AG2	PDBe
The data in this table is sourced from UniChem at EBI.