Dataset

PC(16:0/0:0); LC-ESI-QFT; MS2; POSITIVE; generated fron DDA dataset

This MassBank record with Accession MSBNK-SMB_Measured-HSA001P0496000 contains the MS2 mass spectrum of PC(16:0/0:0) with the InChIkey ASWBNKHCZGQVJV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3
SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI Key ASWBNKHCZGQVJV-UHFFFAOYSA-N
Molecular Formula C24H50NO7P
Exact Mass 495.332 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-HSA001P0496000
Version
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Maintainer
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MetadataPublished 2023-12-15
Related Molecule
  • (3-hexadecanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    86554 PubChem
    530356 eMolecules
    14761950 PubChem: Thomson Pharma
    14863-27-5 ACToR
    17364-18-0 ACToR
    PD025807 ProbesDrugs
    70077216 NMRShiftDB
    SCHEMBL9560238 SureChEMBL
    LMGP01050113 LipidMaps
    MCULE-2352145196 Mcule
    HMDB0256091 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.