Dataset

Phosphatidylinositol lyso 20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 1.67; Exp: 1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001493 contains the MS2 mass spectrum of Phosphatidylinositol lyso 20:4 with the InChIkey GCTCZDZDLCVEBR-BMBRPNNFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)40-22(20-30)21-39-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h7-8,10-11,13-14,16-17,22,24-30,32-36H,2-6,9,12,15,18-21H2,1H3,(H,37,38)/b8-7-,11-10-,14-13-,17-16-/t22?,24-,25-,26+,27-,28-,29-/m1/s1
SMILES C(C(OC(CO)COP(O)(=O)OC(C(O)1)C(O)C(O)C(O)C1O)=O)CC=CCC=CCC=CCC=CCCCCCC
InChI Key GCTCZDZDLCVEBR-BMBRPNNFSA-N
Molecular Formula C29H49O12P
Exact Mass 620.296 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-UT001493
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MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol10628(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.