Dataset

Tri-m-tolyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117509 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN117509
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:32:47.406847
MetadataModified 2024-01-11T09:32:47.547405
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11232 PubChem
14926354 PubChem: Thomson Pharma
563-04-2 ACToR
W09Q34ON6J FDA SRS
J173.953K Nikkaji
20208727 NMRShiftDB
SCHEMBL187081 SureChEMBL
DTXSID4026216 EPA CompTox Dashboard
CB1357927 ChemicalBook
ZINC000001672974 ZINC
718543 eMolecules
The data in this table is sourced from UniChem at EBI.