Dataset

1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N106126_B8BB contains the MS2 mass spectrum of 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine with the InChIkey PYVRVRFVLRNJLY-MZMPXXGTSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1
SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])O
InChI Key PYVRVRFVLRNJLY-MZMPXXGTSA-N
Molecular Formula C23H46NO7P
Exact Mass 479.301 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N106126_B8BB
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:26.630510
MetadataModified 2024-01-11T09:31:26.807193
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD085548 ProbesDrugs
244142 Brenda
60074300 NMRShiftDB
SLM:000030158 SwissLipids
MTBLC75168 Metabolights
HMDB0011506 Human Metabolome Database
74971 Rhea
SCHEMBL274999 SureChEMBL
MTBLC74971 Metabolights
248114 Brenda
248117 Brenda
CHEMBL3262734 ChEMBL
LMGP02050004 LipidMaps
J1.236.468G Nikkaji
58177709 PubChem
75168 ChEBI
74971 ChEBI
9547071 PubChem
The data in this table is sourced from UniChem at EBI.