Dataset

Tris(2-chloroethyl) phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117008 contains the MS2 mass spectrum of Tris(2-chloroethyl) phosphate with the InChIkey HQUQLFOMPYWACS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2
SMILES	C(CCl)OP(=O)(OCCCl)OCCCl
InChI Key	HQUQLFOMPYWACS-UHFFFAOYSA-N
Molecular Formula	C6H12Cl3O4P
Exact Mass	283.954 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-AN117008
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:30:14.077372
MetadataModified	2024-01-11T09:30:14.256669
MetadataPublished	2021-08-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
35037	ChEBI
CHEMBL1413786	ChEMBL
C14445	KEGG Ligand
479444	eMolecules
ZINC000001666648	ZINC
DTXSID5021411	EPA CompTox Dashboard
225948	Brenda
CB4731557	ChemicalBook
J4.095I	Nikkaji
HMDB0259276	Human Metabolome Database
SCHEMBL26896	SureChEMBL
20097634	NMRShiftDB
PD055447	ProbesDrugs
32IVO568B0	FDA SRS
29716-44-7	ACToR
68411-66-5	ACToR
115-96-8	ACToR
16121964	PubChem: Thomson Pharma
8295	PubChem
The data in this table is sourced from UniChem at EBI.