Dataset

Cyclopenin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000869 contains the MS2 mass spectrum of Cyclopenin with the InChIkey APLKWZASYUZSBL-XPCCGILXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H14N2O3/c1-19-15(20)12-9-5-6-10-13(12)18-16(21)17(19)14(22-17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,21)/t14-,17?/m1/s1
SMILES CN1C(=O)C2=CC=CC=C2NC(=O)C13[C@H](O3)C4=CC=CC=C4
InChI Key APLKWZASYUZSBL-XPCCGILXSA-N
Molecular Formula C17H14N2O3
Exact Mass 294.100 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000869
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MetadataPublished 2017-07-07
Related Molecule
  • (3'R)-4-methyl-3'-phenylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    354160 PubChem
    80005570 NMRShiftDB
    CHEMBL1985089 ChEMBL
    The data in this table is sourced from UniChem at EBI.