Phosphorylcholine

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Systematic / IUPAC Name: Trimethyl(2-phosphonooxyethyl)azanium

ID: Reference14082

Other Names:
N,N,N-trimethyl-2-(phosphonooxy)ethanaminium;
O-Phosphocholine;
AA-3142

Formula: C5H15NO4P+

Class: Endogenous Metabolites

Spectral Data

Phosphorylcholine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 385
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/9/2026 5:43:38 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
InChI Key YHHSONZFOIEMCP-UHFFFAOYSA-O
Canonical SMILES C[N+](C)(C)CCOP(=O)(O)O
CAS
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Other Names
N,N,N-trimethyl-2-(phosphonooxy)ethanaminium;
O-Phosphocholine;
AA-3142

In Other Databases

ChEBI CHEBI:18132
ChemSpider 989
PubChem 1014
KEGG C00588
DrugBank DB03945; DB03945
ChEMBL CHEMBL1235161
HMDb HMDB0001565; HMDB0001565; HMDB0001565