Dataset

1-tridecanoyl-sn-glycero-3-phosphoethanolamine; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N106006_F638 contains the MS2 mass spectrum of 1-tridecanoyl-sn-glycero-3-phosphoethanolamine with the InChIkey IJTWJFQIBBDJJI-QGZVFWFLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-18(21)24-15-17(20)16-26-27(22,23)25-14-13-19/h17,20H,2-16,19H2,1H3,(H,22,23)/t17-/m1/s1
SMILES [C@](COP(=O)(O)OCCN)([H])(O)COC(CCCCCCCCCCCC)=O
InChI Key IJTWJFQIBBDJJI-QGZVFWFLSA-N
Molecular Formula C18H38NO7P
Exact Mass 411.239 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N106006_F638
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MetadataPublished 2022-04-07
Related Molecule
  • [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] tridecanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    42607463 PubChem
    168242 ChEBI
    136212574 PubChem
    SLM:000030179 SwissLipids
    ZINC000102190945 ZINC
    LMGP02050007 LipidMaps
    The data in this table is sourced from UniChem at EBI.