Dataset

O-PHOSPHOETHANOLAMINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100804_EF88 contains the MS2 mass spectrum of O-PHOSPHOETHANOLAMINE with the InChIkey SUHOOTKUPISOBE-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
SMILES	NCCOP(O)(O)=O
InChI Key	SUHOOTKUPISOBE-UHFFFAOYSA-N
Molecular Formula	C2H8NO4P
Exact Mass	141.019 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P100804_EF88
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:30:24.377801
MetadataModified	2024-01-11T09:30:24.539534
MetadataPublished	2021-12-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
5232324	PubChem
PD060265	ProbesDrugs
PHOSPHORYLCOLAMINE	clinicaltrials
1015	PubChem
1071-23-4	ACToR
15066281	PubChem: Thomson Pharma
78A2BX7AEU	FDA SRS
SCHEMBL44347	SureChEMBL
20200027	NMRShiftDB
AEPHOS	CCDC
J12.176B	Nikkaji
ZINC000003870166	ZINC
50281572	BindingDB
PHOSPHORYLETHANOLAMINE	clinicaltrials
DTXSID5061453	EPA CompTox Dashboard
78542	Brenda
234447	Brenda
234448	Brenda
MCULE-8775715246	Mcule
HY-N5034	MedChemExpress
145950	Brenda
90964	Brenda
1866	Brenda
MTBLC17553	Metabolights
6572	Brenda
CB2478380	ChemicalBook
HMDB0000224	Human Metabolome Database
93348	Brenda
170282	Brenda
DB01738	DrugBank
145038	Brenda
1797	Brenda
5603	Brenda
C00346	KEGG Ligand
CHEMBL146972	ChEMBL
17553	ChEBI
OPE	PDBe
493992	eMolecules
The data in this table is sourced from UniChem at EBI.