Dataset

1-octadecanoyl-sn-glycero-3-phosphocholine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N105931_187B contains the MS2 mass spectrum of 1-octadecanoyl-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 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N105931_187B
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:59.998422
MetadataModified 2024-01-11T09:31:00.156718
MetadataPublished 2022-04-09
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
60023609 NMRShiftDB
PD018786 ProbesDrugs
The data in this table is sourced from UniChem at EBI.