Dataset

Diphenylphosphate; LC-ESI-QTOF; MS2; CE: Ramp 19.8-29.8 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU230106 contains the MS2 mass spectrum of Diphenylphosphate with the InChIkey ASMQGLCHMVWBQR-UHFFFAOYSA-N.

Chemical Information

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 250.039 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-Athens_Univ-AU230106
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MetadataPublished 2019-04-08
Related Molecule
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    Data-Source Molecule ID Data-Source
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    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.