Dataset

Phosphatidylinositol 20:4-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 8.47; Exp: 1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001489 contains the MS2 mass spectrum of Phosphatidylinositol 20:4-20:4 with the InChIkey BQGBJGDIIRNCBP-WLQFNMGVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C49H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,19-22,25-28,31-34,41,44-49,52-56H,3-12,17-18,23-24,29-30,35-40H2,1-2H3,(H,57,58)/b15-13-,16-14-,21-19-,22-20-,27-25-,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(OC(=O)CCC=CCC=CCC=CCC=CCCCCCC)COC(=O)CCC=CCC=CCC=CCC=CCCCCCC)1)O
InChI Key BQGBJGDIIRNCBP-WLQFNMGVSA-N
Molecular Formula C49H79O13P
Exact Mass 906.526 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-UT001489
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol92448(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.