Dataset

Tributyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118205 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-AN118205
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:29:53.572376
MetadataModified	2024-01-11T09:29:53.720152
MetadataPublished	2021-08-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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