Dataset

1-Stearoyl-sn-glycero-3-phosphocholine; LC-ESI-QFT; MS2; POSITIVE; generated fron DDA dataset

This MassBank record with Accession MSBNK-SMB_Measured-HSA001P0524001 contains the MS2 mass spectrum of 1-Stearoyl-sn-glycero-3-phosphocholine with the InChIkey IHNKQIMGVNPMTC-RUZDIDTESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChI Key IHNKQIMGVNPMTC-RUZDIDTESA-N
Molecular Formula C26H54NO7P
Exact Mass 523.364 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-SMB_Measured-HSA001P0524001
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MetadataPublished 2023-12-15
Related Molecule
  • [(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    LMGP01050026 lipidmaps
    CHEMBL3093101 chembl
    19065066 surechembl
    497299 pubchem
    2GZO7EJ6ZE fdasrs
    CHEBI:73858 rhea
    PD018786 probes_and_drugs
    HMDB0010384 hmdb
    Molport-044-183-302 molport
    The data in this table is sourced from UniChem at EBI.