Dataset

Tri-p-tolyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117810 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 https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN117810
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:34:19.183678
MetadataModified 2025-02-08T18:50:03.374840
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5149JKD098 FDA SRS
MCULE-8178529561 Mcule
SCHEMBL21582 SureChEMBL
6529 PubChem
14803851 PubChem: Thomson Pharma
78-32-0 ACToR
718545 eMolecules
CHEMBL1596847 ChEMBL
ZINC000001577195 ZINC
J1.952F Nikkaji
DTXSID5052676 EPA CompTox Dashboard
CB5270004 ChemicalBook
HMDB0259136 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.