Dataset

Phosphinothricin

This MassBank record with Accession MSBNK-Waters-WA002709 contains the MS mass spectrum of Phosphinothricin with the InChIkey IAJOBQBIJHVGMQ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
SMILES	NC(CCP(C)(O)=O)C(O)=O
InChI Key	IAJOBQBIJHVGMQ-UHFFFAOYSA-N
Molecular Formula	C5H12NO4P
Exact Mass	181.050 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002709
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:50:45.515767
MetadataModified	2024-01-11T22:50:45.686479
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
5257279	PubChem
15265602	PubChem: Thomson Pharma
5257280	PubChem
4794	PubChem
51276-47-2	ACToR
PD093524	ProbesDrugs
126633-48-5	ACToR
53369-07-6	ACToR
70115466	NMRShiftDB
SCHEMBL17697	SureChEMBL
HMDB0252799	Human Metabolome Database
J8.581B	Nikkaji
71999	Brenda
142851	ChEBI
CB8918965	ChemicalBook
HY-W019870A	MedChemExpress
DTXSID0043973	EPA CompTox Dashboard
C8W4FP6BTY	FDA SRS
C05042	KEGG Ligand
CHEMBL450298	ChEMBL
36554096	eMolecules
The data in this table is sourced from UniChem at EBI.