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
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73858 Rhea
    CB2717054 ChemicalBook
    SLM:000000670 SwissLipids
    LMGP01050026 LipidMaps
    SCHEMBL19065066 SureChEMBL
    HMDB0010384 Human Metabolome Database
    CHEMBL3093101 ChEMBL
    5651 Guide to Pharmacology
    MTBLC73858 Metabolights
    497299 PubChem
    73858 ChEBI
    PD018786 ProbesDrugs
    60023609 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.