Dataset

N-ACETYL-VALYL-LEUCYL-GLYCINE METHYLESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000106 contains the MS mass spectrum of N-ACETYL-VALYL-LEUCYL-GLYCINE METHYLESTER with the InChIkey KGIAKTQRGZGRTM-JSGCOSHPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H29N3O5/c1-9(2)7-12(15(22)17-8-13(21)24-6)19-16(23)14(10(3)4)18-11(5)20/h9-10,12,14H,7-8H2,1-6H3,(H,17,22)(H,18,20)(H,19,23)/t12-,14-/m0/s1
SMILES COC(=O)CNC(=O)C([H])(CC(C)C)NC(=O)C([H])(NC(C)=O)C(C)C
InChI Key KGIAKTQRGZGRTM-JSGCOSHPSA-N
Molecular Formula C16H29N3O5
Exact Mass 343.211 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-Fac_Eng_Univ_Tokyo-JP000106
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101618254 PubChem
    J45.838D Nikkaji
    The data in this table is sourced from UniChem at EBI.