Dataset

Tri-o-tolyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117707 contains the MS2 mass spectrum of Tri-o-tolyl phosphate with the InChIkey YSMRWXYRXBRSND-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
SMILES CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C
InChI Key YSMRWXYRXBRSND-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-AN117707
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:23.154039
MetadataModified 2024-01-11T09:30:23.329488
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6527 PubChem
J134.726H Nikkaji
CHEMBL3181798 ChEMBL
ZINC000001555526 ZINC
HMDB0259135 Human Metabolome Database
DTXSID6032192 EPA CompTox Dashboard
82063 BindingDB
147115 Brenda
22376 Brenda
CB3466623 ChemicalBook
SCHEMBL35762 SureChEMBL
1330-78-5 ACToR
1336-40-9 ACToR
78-30-8 ACToR
15251569 PubChem: Thomson Pharma
X8II18JD0A FDA SRS
717795 eMolecules
The data in this table is sourced from UniChem at EBI.