Dataset

Phosphatidylinositol alkyl 16:1-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 5.36; Exp: 1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001243 contains the MS2 mass spectrum of Phosphatidylinositol alkyl 16:1-22:6 with the InChIkey HJZVPFAZKUHWMN-ZRQCKBQHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C47H79O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-41(48)58-40(38-56-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53/h5,7,11,13,17,19,21-22,24,26,29-32,40,42-47,49-53H,3-4,6,8-10,12,14-16,18,20,23,25,27-28,33-39H2,1-2H3,(H,54,55)/b7-5-,13-11-,19-17-,22-21-,26-24-,31-29-,32-30-/t40?,42-,43-,44+,45-,46-,47-/m1/s1
SMILES P(OC(C1O)C(C(C(O)C(O)1)O)O)(O)(=O)OCC(COCCCC=CCCCCCCCCCCC)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
InChI Key HJZVPFAZKUHWMN-ZRQCKBQHSA-N
Molecular Formula C47H79O12P
Exact Mass 866.531 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001243
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MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol44458(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.