Dataset

Phosphatidylinositol 18:1-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 12.03; Exp: 1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001240 contains the MS2 mass spectrum of Phosphatidylinositol 18:1-22:6 with the InChIkey HJWMMUBGTHVMFN-VPCUEIIDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C49H81O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,31-34,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-30,35-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,28-26-,33-31-,34-32-/t41?,44-,45-,46+,47-,48-,49-/m1/s1
SMILES OC(C(O)1)C(C(O)C(O)C(OP(O)(=O)OCC(COC(CCC=CCCCCCCCCCCCCC)=O)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)1)O
InChI Key HJWMMUBGTHVMFN-VPCUEIIDSA-N
Molecular Formula C49H81O13P
Exact Mass 908.541 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001240
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MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol24859(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.