Dataset

C16-02:0 DG; ESI-TOF; MS2; CE: 6.0000000; [M+H]+

This MassBank record with Accession MSBNK-mFam-MC02_000223 contains the MS2 mass spectrum of C16-02:0 DG with the InChIkey QTEHGUUSIIWOOW-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-21(18-22)25-20(2)23/h21-22H,3-19H2,1-2H3
SMILES [H]OC([H])([H])C([H])(OC(=O)C([H])([H])[H])C([H])([H])OC([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])C([H])([H])[H]
InChI Key QTEHGUUSIIWOOW-UHFFFAOYSA-N
Exact Mass 358.308 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_000223
Version
Author
Maintainer
Language
MetadataPublished 2023-03-06
Related Molecule
  • (1-hexadecoxy-3-hydroxypropan-2-yl) acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1515331 chembl
    2732833 surechembl
    1379 pubchem
    PD050155 probes_and_drugs
    99765 brenda
    DTXSID90912380 comptox
    The data in this table is sourced from UniChem at EBI.