Dataset

Tri-p-tolyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117806 contains the MS2 mass spectrum of Tri-p-tolyl phosphate with the InChIkey BOSMZFBHAYFUBJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3
SMILES CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C
InChI Key BOSMZFBHAYFUBJ-UHFFFAOYSA-N
Molecular Formula C21H21O4P
Exact Mass 368.118 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN117806
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:41.290017
MetadataModified 2024-01-11T09:29:41.448556
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL21582 SureChEMBL
6529 PubChem
14803851 PubChem: Thomson Pharma
78-32-0 ACToR
MCULE-8178529561 Mcule
5149JKD098 FDA SRS
718545 eMolecules
CHEMBL1596847 ChEMBL
HMDB0259136 Human Metabolome Database
CB5270004 ChemicalBook
J1.952F Nikkaji
ZINC000001577195 ZINC
DTXSID5052676 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.