Dataset

1,2-diheptadecanoyl-sn-glycero-3-phosphocholine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107432_187B contains the MS2 mass spectrum of 1,2-diheptadecanoyl-sn-glycero-3-phosphocholine with the InChIkey RTWAYAIMWLNAJW-RRHRGVEJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
SMILES CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC
InChI Key RTWAYAIMWLNAJW-RRHRGVEJSA-N
Molecular Formula C42H84NO8P
Exact Mass 761.593 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107432_187B
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:05.327925
MetadataModified 2024-01-11T09:30:05.528892
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
24778784 PubChem
PD078202 ProbesDrugs
140861 ChEBI
SCHEMBL234621 SureChEMBL
LMGP01010707 LipidMaps
SLM:000012484 SwissLipids
The data in this table is sourced from UniChem at EBI.