Dataset

Di-n-butyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN116726 contains the MS2 mass spectrum of Di-n-butyl phosphate with the InChIkey JYFHYPJRHGVZDY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)
SMILES CCCCOP(=O)(O)OCCCC
InChI Key JYFHYPJRHGVZDY-UHFFFAOYSA-N
Molecular Formula C8H19O4P
Exact Mass 210.102 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN116726
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:01.152358
MetadataModified 2024-01-11T09:31:01.294503
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J150.769I Nikkaji
CHEMBL3187678 ChEMBL
SCHEMBL26559 SureChEMBL
233923 Brenda
166473 ChEBI
ZINC000001577196 ZINC
DTXSID3040728 EPA CompTox Dashboard
CB1489161 ChemicalBook
16143733 PubChem: Thomson Pharma
35837-53-7 ACToR
19069-28-4 ACToR
107-66-4 ACToR
0072NN74TN FDA SRS
500252 eMolecules
7881 PubChem
The data in this table is sourced from UniChem at EBI.