Dataset

L-beta-homoleucine-HCl, (3S)-3-amino-5-methylhexanoic acid, (S)-3-Amino-5-methylhexanoic acid hydrochloride

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT106070 contains the MS2 mass spectrum of L-beta-homoleucine-HCl, (3S)-3-amino-5-methylhexanoic acid, (S)-3-Amino-5-methylhexanoic acid hydrochloride with the InChIkey MLYMSIKVLAPCAK-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
SMILES	CC(C)CC(CC(=O)O)N
InChI Key	MLYMSIKVLAPCAK-UHFFFAOYSA-N
Molecular Formula	C7H15NO2
Exact Mass	145.202 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-PT106070
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:06:39.901618
MetadataModified	2024-01-11T21:06:40.060819
MetadataPublished	2008-07-25

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
52940098	PubChem
MCULE-4917004131	Mcule
488969	eMolecules
2733735	PubChem
16472012	PubChem: Thomson Pharma
91298-67-8	ACToR
181613	ChEBI
DTXSID50369992	EPA CompTox Dashboard
214552	Brenda
SCHEMBL2377939	SureChEMBL
CB2399490	ChemicalBook
J1.940.075A	Nikkaji
The data in this table is sourced from UniChem at EBI.