Dataset

1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107817_CC60 contains the MS2 mass spectrum of 1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine with the InChIkey RRVPPYNAZJRZFR-VYOBOKEXSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
SMILES [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O
InChI Key RRVPPYNAZJRZFR-VYOBOKEXSA-N
Molecular Formula C42H82NO8P
Exact Mass 759.578 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107817_CC60
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:32.257345
MetadataModified 2024-01-11T09:30:32.474705
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
24778933 PubChem
74667 ChEBI
CB8276562 ChemicalBook
SLM:000000657 SwissLipids
HMDB0008100 Human Metabolome Database
MTBLC74667 Metabolights
SCHEMBL234634 SureChEMBL
CHEMBL4587587 ChEMBL
LMGP01010884 LipidMaps
74667 Rhea
PD094332 ProbesDrugs
The data in this table is sourced from UniChem at EBI.