Dataset

Phosphatidylinositol 18:0-18:2; LC-ESI-ITFT; MS2; [M-H]-; RT: 21.91; Exp: 2

This MassBank record with Accession MSBNK-Chubu_Univ-UT001972 contains the MS2 mass spectrum of Phosphatidylinositol 18:0-18:2 with the InChIkey DJIHJMQVAWUMQB-GRNFJTJUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h22,24,28,30,37,40-45,48-52H,3-21,23,25-27,29,31-36H2,1-2H3,(H,53,54)/b24-22-,30-28-/t37?,40-,41-,42+,43-,44-,45-/m1/s1
SMILES C(CCCCCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OC(C(O)1)C(O)C(O)C(O)C(O)1)CCCC
InChI Key DJIHJMQVAWUMQB-GRNFJTJUSA-N
Molecular Formula C45H83O13P
Exact Mass 862.557 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-UT001972
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MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol17467(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.