Dataset

Alanylleucine (isomer of 675)

This MassBank record with Accession MSBNK-RIKEN-PR311067 contains the MS2 mass spectrum of Alanylleucine (isomer of 675) with the InChIkey RDIKFPRVLJLMER-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
SMILES O=C(O)C(NC(=O)C(N)C)CC(C)C
InChI Key RDIKFPRVLJLMER-UHFFFAOYSA-N
Molecular Formula C9H18N2O3
Exact Mass 202.254 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-RIKEN-PR311067
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:15.324496
MetadataModified 2024-01-11T20:39:15.505000
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD001619 ProbesDrugs
67113-60-4 ACToR
1999-42-4 ACToR
3303-34-2 ACToR
1638-60-4 ACToR
HMDB0251509 Human Metabolome Database
SCHEMBL1171451 SureChEMBL
MCULE-6436919328 Mcule
259583 PubChem
177395 ChEBI
CB6313694 ChemicalBook
46523794 PubChem: Thomson Pharma
CHEMBL1221716 ChEMBL
533904 eMolecules
The data in this table is sourced from UniChem at EBI.