Dataset

Tributyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118204 contains the MS2 mass spectrum of Tributyl phosphate with the InChIkey STCOOQWBFONSKY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
SMILES	CCCCOP(=O)(OCCCC)OCCCC
InChI Key	STCOOQWBFONSKY-UHFFFAOYSA-N
Molecular Formula	C12H27O4P
Exact Mass	266.165 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-AN118204
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:31:51.156009
MetadataModified	2024-01-11T09:31:51.317014
MetadataPublished	2021-08-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
20046304	NMRShiftDB
SCHEMBL18570	SureChEMBL
31357	PubChem
15221732	PubChem: Thomson Pharma
126-73-8	ACToR
95UAS8YAF5	FDA SRS
474524	eMolecules
CB4187323	ChemicalBook
C14439	KEGG Ligand
CHEMBL1371096	ChEMBL
35019	ChEBI
TRIBUTYL PHOSPHATE	rxnorm
231778	Brenda
CB12572456	ChemicalBook
J3.623D	Nikkaji
CB0579993	ChemicalBook
HMDB0259164	Human Metabolome Database
ZINC000001586777	ZINC
MCULE-3436505303	Mcule
DTXSID3021986	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.