Dataset

Diphenyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN116825 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 https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN116825
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:33:07.499033
MetadataModified 2025-02-08T18:51:20.867762
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
20200143 NMRShiftDB
MCULE-1001527772 Mcule
HMDB0251449 Human Metabolome Database
ZINC000001693573 ZINC
100478 Brenda
166468 ChEBI
CHEMBL3186576 ChEMBL
DTXSID1048207 EPA CompTox Dashboard
CB4297385 ChemicalBook
J32.756E Nikkaji
The data in this table is sourced from UniChem at EBI.