Dataset

ISOPROPYLAMINE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005401 contains the MS mass spectrum of ISOPROPYLAMINE with the InChIkey JJWLVOIRVHMVIS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3
SMILES	CC(C)N
InChI Key	JJWLVOIRVHMVIS-UHFFFAOYSA-N
Molecular Formula	C3H9N
Exact Mass	59.074 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005401
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:57:33.727821
MetadataModified	2024-01-11T15:57:33.890004
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL117080	ChEMBL
C06748	KEGG Ligand
15739	ChEBI
478367	eMolecules
G4O	PDBe
DTXSID2025682	EPA CompTox Dashboard
ZINC000008220693	ZINC
21455	Brenda
6977	Brenda
10864	Brenda
CB8854223	ChemicalBook
6363	PubChem
14842778	PubChem: Thomson Pharma
75-31-0	ACToR
P8W26T4MTD	FDA SRS
J1.451F	Nikkaji
HMDB0253679	Human Metabolome Database
IPRAMH	CCDC
SCHEMBL2909	SureChEMBL
10008676	NMRShiftDB
MCULE-7280647435	Mcule
The data in this table is sourced from UniChem at EBI.