Dataset

N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO002088 contains the MS2 mass spectrum of N-alpha-Acetyl-L-ornithine with the InChIkey JRLGPAXAGHMNOL-LURJTMIESA-N.

Chemical Info

molecular Image
Synonyms
N2-Acetyl-L-ornithine
N-alpha-Acetyl-L-ornithine
N-Acetylornithine
InChI InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
SMILES NCCCC(NC(C)=O)C(O)=O
InChI Key JRLGPAXAGHMNOL-LURJTMIESA-N
Molecular Formula C7H14N2O3
Exact Mass 174.100 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO002088
Version
Author
Maintainer
Language english
MetadataCreated 2024-01-11T17:38:10.099276
MetadataModified 2024-01-22T12:42:38.978513
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
30069639 eMolecules
MTBLC16543 Metabolights
MTBLC57805 Metabolights
173850 Brenda
4293 Brenda
12626 Brenda
113986 Brenda
CB6699031 ChemicalBook
51817 Brenda
11066 Brenda
164153 Brenda
20100 Brenda
HMDB0003357 Human Metabolome Database
57805 Rhea
13368 Brenda
2570 Brenda
SCHEMBL159460 SureChEMBL
6992102 PubChem
2185-16-2 ACToR
16947200 PubChem: Thomson Pharma
6205-08-9 ACToR
60018781 NMRShiftDB
PD102023 ProbesDrugs
439232 PubChem
acorn Recon
ZINC000001532657 ZINC
DTXSID80331400 EPA CompTox Dashboard
HY-113080 MedChemExpress
J37.495D Nikkaji
57805 ChEBI
16543 ChEBI
C00437 KEGG Ligand
AOR PDBe
The data in this table is sourced from UniChem at EBI.