Dataset

Tris(2-butoxyethyl) phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118006 contains the MS2 mass spectrum of Tris(2-butoxyethyl) phosphate with the InChIkey WTLBZVNBAKMVDP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
SMILES CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
InChI Key WTLBZVNBAKMVDP-UHFFFAOYSA-N
Molecular Formula C18H39O7P
Exact Mass 398.243 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN118006
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:28.260930
MetadataModified 2024-01-11T09:29:28.410957
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD167506 ProbesDrugs
RYA6940G86 FDA SRS
6540 PubChem
78-51-3 ACToR
14830379 PubChem: Thomson Pharma
119166-98-2 ACToR
J2.828B Nikkaji
SCHEMBL37268 SureChEMBL
HMDB0259275 Human Metabolome Database
ZINC000003861027 ZINC
DTXSID5021758 EPA CompTox Dashboard
CB1312263 ChemicalBook
480502 eMolecules
CHEMBL1534811 ChEMBL
C14446 KEGG Ligand
35038 ChEBI
The data in this table is sourced from UniChem at EBI.