Dataset

Tris(2-butoxyethyl) phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118010 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 https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN118010
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:47.309677
MetadataModified 2025-02-08T18:52:59.100331
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000003861027 ZINC
CB1312263 ChemicalBook
SCHEMBL37268 SureChEMBL
PD167506 ProbesDrugs
RYA6940G86 FDA SRS
6540 PubChem
78-51-3 ACToR
14830379 PubChem: Thomson Pharma
119166-98-2 ACToR
480502 eMolecules
35038 ChEBI
C14446 KEGG Ligand
CHEMBL1534811 ChEMBL
HMDB0259275 Human Metabolome Database
J2.828B Nikkaji
DTXSID5021758 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.