Dataset

Retrorsine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310600 contains the MS2 mass spectrum of Retrorsine with the InChIkey BCJMNZRQJAVDLD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3
SMILES CC=C1CC(C)C(O)(CO)C(=O)OCC2=CCN3CCC(OC1=O)C23
InChI Key BCJMNZRQJAVDLD-UHFFFAOYSA-N
Molecular Formula C18H25NO6
Exact Mass 351.399 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-PR310600
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    267891 pubchem
    PD087462 probes_and_drugs
    HMDB0242334 hmdb
    Molport-046-594-249 molport
    The data in this table is sourced from UniChem at EBI.