Dataset

TCEP; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ1093003 contains the MS2 mass spectrum of TCEP with the InChIkey HQUQLFOMPYWACS-UHFFFAOYSA-N.

Chemical Information

Molecular Image

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

TCEP; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+HTML

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Related Molecule ⌄

tris(2-chloroethyl) phosphate

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ1093003
Version
Author
Maintainer
Language
MetadataPublished	2023-01-10
Related Molecule	tris(2-chloroethyl) phosphate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEBI:35037	chebi
CHEMBL1413786	chembl
26896	surechembl
8295	pubchem
32IVO568B0	fdasrs
PD055447	probes_and_drugs
225947	brenda
225948	brenda
HMDB0259276	hmdb
DTXSID5021411	comptox
The data in this table is sourced from UniChem at EBI.