Dataset

N-(BENZYLOXYCARBONYL)-(S)-PROLINE METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011378 contains the MS mass spectrum of N-(BENZYLOXYCARBONYL)-(S)-PROLINE METHYL ESTER with the InChIkey BLQYEDXWEDWCNJ-LBPRGKRZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H17NO4/c1-18-13(16)12-8-5-9-15(12)14(17)19-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
SMILES COC(=O)C(C2)N(CC2)C(=O)OCc(c1)cccc1
InChI Key BLQYEDXWEDWCNJ-LBPRGKRZSA-N
Molecular Formula C14H17NO4
Exact Mass 263.116 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-JP011378
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-O-benzyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    26753231 eMolecules
    15791046 PubChem: Thomson Pharma
    SCHEMBL4724457 SureChEMBL
    688168 PubChem
    MCULE-4565133463 Mcule
    DTXSID70350807 EPA CompTox Dashboard
    J275.608K Nikkaji
    CB6226826 ChemicalBook
    ZINC000000056802 ZINC
    The data in this table is sourced from UniChem at EBI.