Dataset

16:0-18:1 DG; ESI-TOF; MS2; CE: 6.0000000; [M+H]+

This MassBank record with Accession MSBNK-mFam-MC02_000269 contains the MS2 mass spectrum of 16:0-18:1 DG with the InChIkey YEJYLHKQOBOSCP-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3
SMILES [H]OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChI Key YEJYLHKQOBOSCP-UHFFFAOYSA-N
Exact Mass 594.522 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-mFam-MC02_000269
Version
Author
Maintainer
Language
MetadataPublished 2023-03-06
Related Molecule
  • (1-hexadecanoyloxy-3-hydroxypropan-2-yl) octadec-9-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    638396 surechembl
    151082 pubchem
    PD099256 probes_and_drugs
    Molport-052-040-646 molport
    The data in this table is sourced from UniChem at EBI.