Dataset

DL-alpha,epsilon-Diaminopimelic acid

This MassBank record with Accession MSBNK-RIKEN-PR100543 contains the MS2 mass spectrum of DL-alpha,epsilon-Diaminopimelic acid with the InChIkey GMKMEZVLHJARHF-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
SMILES	OC(=O)C(N)CCCC(N)C(O)=O
InChI Key	GMKMEZVLHJARHF-UHFFFAOYSA-N
Molecular Formula	C7H14N2O4
Exact Mass	190.095 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-RIKEN-PR100543
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:03:24.242201
MetadataModified	2025-02-09T17:54:02.970622
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
23673	ChEBI
CB9252459	ChemicalBook
CB7252460	ChemicalBook
HMDB0242532	Human Metabolome Database
J79.675A	Nikkaji
233920	Brenda
HY-128746	MedChemExpress
865	PubChem
MCULE-5199298661	Mcule
SCHEMBL29289	SureChEMBL
MTBLC23673	Metabolights
67024	Brenda
31028	Brenda
93161	Brenda
96421	Brenda
105793	Brenda
97886	Brenda
109229	Brenda
713575	eMolecules
498287	eMolecules
53448507	PubChem
583-93-7	ACToR
17121-19-6	ACToR
15219833	PubChem: Thomson Pharma
60027393	NMRShiftDB
PD025037	ProbesDrugs
922-54-3	ACToR
The data in this table is sourced from UniChem at EBI.