Dataset

DL-Leucine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81125 contains the MS mass spectrum of DL-Leucine with the InChIkey ROHFNLRQFUQHCH-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
SMILES	CC(C)CC(C(=O)O)N
InChI Key	ROHFNLRQFUQHCH-UHFFFAOYSA-N
Molecular Formula	C6H13NO2
Exact Mass	131.095 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81125
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:25:24.514871
MetadataModified	2024-01-11T22:25:24.684258
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15297248	PubChem: Thomson Pharma
MTBLC25017	Metabolights
20253	Brenda
45498	Brenda
43092	Brenda
90931	Brenda
CB4365169	ChemicalBook
126785	Brenda
PA450197	PharmGKB
HY-B1674	MedChemExpress
240752	Brenda
LMFA01100048	LipidMaps
1QSS9D5DR6	FDA SRS
J1.285H	Nikkaji
DLLEUC	CCDC
10016957	NMRShiftDB
MCULE-7657212416	Mcule
SCHEMBL3888	SureChEMBL
25322-63-8	ACToR
328-39-2	ACToR
328-38-1	ACToR
61-90-5	ACToR
857	PubChem
5255803	PubChem
PD098604	ProbesDrugs
CHEMBL46575	ChEMBL
25017	ChEBI
C16439	KEGG Ligand
499483	eMolecules
The data in this table is sourced from UniChem at EBI.