Dataset

Tri-o-tolyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117703 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-AN117703
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:22.829523
MetadataModified 2024-01-11T09:29:23.023529
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL35762 SureChEMBL
15251569 PubChem: Thomson Pharma
1336-40-9 ACToR
78-30-8 ACToR
1330-78-5 ACToR
X8II18JD0A FDA SRS
717795 eMolecules
6527 PubChem
ZINC000001555526 ZINC
HMDB0259135 Human Metabolome Database
J134.726H Nikkaji
CHEMBL3181798 ChEMBL
DTXSID6032192 EPA CompTox Dashboard
CB3466623 ChemicalBook
22376 Brenda
147115 Brenda
82063 BindingDB
The data in this table is sourced from UniChem at EBI.