Dataset

Tri-m-tolyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117512 contains the MS2 mass spectrum of Tri-m-tolyl phosphate with the InChIkey RMLPZKRPSQVRAB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3
SMILES CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C
InChI Key RMLPZKRPSQVRAB-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-AN117512
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:34:09.798288
MetadataModified 2025-02-08T18:50:14.826271
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20208727 NMRShiftDB
W09Q34ON6J FDA SRS
SCHEMBL187081 SureChEMBL
11232 PubChem
14926354 PubChem: Thomson Pharma
563-04-2 ACToR
718543 eMolecules
DTXSID4026216 EPA CompTox Dashboard
CB1357927 ChemicalBook
ZINC000001672974 ZINC
J173.953K Nikkaji
The data in this table is sourced from UniChem at EBI.