Dataset

Phosphatidylinositol 16:0-18:2; LC-ESI-ITFT; MS2; [M-H]-; RT: 14.99; Exp: 3

This MassBank record with Accession MSBNK-Chubu_Univ-UT002697 contains the MS2 mass spectrum of Phosphatidylinositol 16:0-18:2 with the InChIkey UKUWCMCEVNAMQA-DNPFOPPISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h20,22,26,28,35,38-43,46-50H,3-19,21,23-25,27,29-34H2,1-2H3,(H,51,52)/b22-20-,28-26-/t35?,38-,39-,40+,41-,42-,43-/m1/s1
SMILES C(CCCCC=CCC=CCCC(OC(COP(OC(C1O)C(C(C(C1O)O)O)O)(O)=O)COC(=O)CCCCCCCCCCCCCCC)=O)CCCCC
InChI Key UKUWCMCEVNAMQA-DNPFOPPISA-N
Molecular Formula C43H79O13P
Exact Mass 834.526 g/mol

Data and Resources

Metadata Information

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License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002697
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MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol3353(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.