Dataset

Diphenyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN116826 contains the MS2 mass spectrum of Diphenyl phosphate with the InChIkey ASMQGLCHMVWBQR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
SMILES OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
InChI Key ASMQGLCHMVWBQR-UHFFFAOYSA-N
Molecular Formula C12H11O4P
Exact Mass 250.040 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN116826
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:32:11.767395
MetadataModified 2024-01-11T09:32:11.943725
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
13282 PubChem
PD055595 ProbesDrugs
53396-64-8 ACToR
507509 eMolecules
SCHEMBL37038 SureChEMBL
14823434 PubChem: Thomson Pharma
838-85-7 ACToR
DTXSID1048207 EPA CompTox Dashboard
100478 Brenda
CB4297385 ChemicalBook
ZINC000001693573 ZINC
J32.756E Nikkaji
HMDB0251449 Human Metabolome Database
CHEMBL3186576 ChEMBL
20200143 NMRShiftDB
MCULE-1001527772 Mcule
166468 ChEBI
The data in this table is sourced from UniChem at EBI.