Dataset

1-octadecenoyl-rac-glycerol; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H2O+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N106512_1273 contains the MS2 mass spectrum of 1-octadecenoyl-rac-glycerol with the InChIkey RZRNAYUHWVFMIP-KTKRTIGZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O
InChI Key RZRNAYUHWVFMIP-KTKRTIGZSA-N
Molecular Formula C21H40O4
Exact Mass 356.293 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_N106512_1273
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MetadataPublished 2022-04-08
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    MTBLC75342 Metabolights
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    DB13171 DrugBank
    6409 Brenda
    50981 Brenda
    167295 Brenda
    130187 Brenda
    6556 Brenda
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    CHEMBL428593 ChEMBL
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    D3AEF6S35P FDA SRS
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    50529937 BindingDB
    MCULE-9846233643 Mcule
    DTXSID3042003 EPA CompTox Dashboard
    LMGL01010005 LipidMaps
    5756 Guide to Pharmacology
    30984 Brenda
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    A6L PDBe
    5283468 PubChem
    The data in this table is sourced from UniChem at EBI.