Dataset

PG 36:3; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN_IMS-LQB00633 contains the MS2 mass spectrum of PG 36:3 with the InChIkey CLWMQONPFNUMKX-SVNQLWEDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,39-40,43-44H,3-4,6,8-10,12,14-16,19-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,18-17-
SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC
InChI Key CLWMQONPFNUMKX-SVNQLWEDSA-N
Molecular Formula C42H77O10P
Exact Mass 773.044 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-RIKEN_IMS-LQB00633
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Maintainer
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MetadataPublished 2016-10-03
Related Molecule
  • [1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138136335 PubChem
    The data in this table is sourced from UniChem at EBI.