Dataset

1,3-Propanediamine, 1,3-Diaminopropane

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS074002 contains the MS2 mass spectrum of 1,3-Propanediamine, 1,3-Diaminopropane with the InChIkey XFNJVJPLKCPIBV-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
SMILES	C(CN)CN
InChI Key	XFNJVJPLKCPIBV-UHFFFAOYSA-N
Molecular Formula	C3H10N2
Exact Mass	74.127 g/mol

Data and Resources

1,3-Propanediamine, 1,3-DiaminopropaneHTML
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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-PS074002
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:06:38.768481
MetadataModified	2024-01-11T21:06:38.929944
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL174324	ChEMBL
15725	ChEBI
13D	PDBe
C00986	KEGG Ligand
2284	Brenda
J1.969K	Nikkaji
DTXSID1021906	EPA CompTox Dashboard
QATVUC	CCDC
CB81261493	ChemicalBook
PD099153	ProbesDrugs
428	PubChem
14818055	PubChem: Thomson Pharma
68187-46-2	ACToR
68333-86-8	ACToR
26545-55-1	ACToR
109-76-2	ACToR
68130-68-7	ACToR
497448	eMolecules
MTBLC15725	Metabolights
721	Brenda
98388	Brenda
ZINC000005828682	ZINC
HMDB0000002	Human Metabolome Database
9324	Brenda
CB7852787	ChemicalBook
98392	Brenda
SCHEMBL8182	SureChEMBL
CB3ISL56KG	FDA SRS
10016948	NMRShiftDB
MCULE-7375662153	Mcule
The data in this table is sourced from UniChem at EBI.