Dataset

Phosphatidylinositol lyso 18:1; LC-ESI-ITFT; MS2; [M-H]-; RT: 2.10; Exp: 1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001492 contains the MS2 mass spectrum of Phosphatidylinositol lyso 18:1 with the InChIkey OVHGUPNHWUHPOM-DBFVMBBUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H51O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)38-20(18-28)19-37-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h14-15,20,22-28,30-34H,2-13,16-19H2,1H3,(H,35,36)/b15-14-/t20?,22-,23-,24+,25-,26-,27-/m1/s1
SMILES O(P(O)(=O)OCC(CO)OC(=O)CCC=CCCCCCCCCCCCCC)C(C1O)C(C(C(C1O)O)O)O
InChI Key OVHGUPNHWUHPOM-DBFVMBBUSA-N
Molecular Formula C27H51O12P
Exact Mass 598.312 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-UT001492
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MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol16568(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.