Dataset

1-Stearoyl-sn-glycero-3-phosphocholine

This MassBank record with Accession MSBNK-BGC_Munich-RP025803 contains the MS2 mass spectrum of 1-Stearoyl-sn-glycero-3-phosphocholine with the InChIkey IHNKQIMGVNPMTC-RUZDIDTESA-N.

Chemical Info

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 [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP025803
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:31:42.415164
MetadataModified 2025-02-09T08:44:56.011385
MetadataPublished 2017-10-27
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.