Dataset

Bis(p-nitrophenyl)phosphate

This MassBank record with Accession MSBNK-Keio_Univ-KO000367 contains the MS2 mass spectrum of Bis(p-nitrophenyl)phosphate with the InChIkey MHSVUSZEHNVFKW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)
SMILES [O-1][N+1](=O)c(c2)ccc(c2)OP(O)(=O)Oc(c1)ccc([N+1]([O-1])=O)c1
InChI Key MHSVUSZEHNVFKW-UHFFFAOYSA-N
Molecular Formula C12H9N2O8P
Exact Mass 340.010 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO000367
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T17:26:24.047825
MetadataModified 2025-02-09T14:24:33.488420
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C03779 KEGG Ligand
B4N PDBe
DB07418 DrugBank
CHEMBL1231178 ChEMBL
HMDB0260294 Human Metabolome Database
1MF77LEI63 FDA SRS
12458 Brenda
3122 ChEBI
MCULE-9995746636 Mcule
50130915 BindingDB
ZINC000001529745 ZINC
255 PubChem
PD005203 ProbesDrugs
15495849 PubChem: Thomson Pharma
100147-02-2 ACToR
645-15-8 ACToR
479709 eMolecules
3389 Brenda
918 Brenda
2645 Brenda
80129 Brenda
48285 Brenda
1347 Brenda
46008 Brenda
196808 Brenda
43876 Brenda
58719 Brenda
135646 Brenda
43874 Brenda
1697 Brenda
14936 Brenda
DTXSID20870742 EPA CompTox Dashboard
CB4490359 ChemicalBook
101864 Brenda
20703 Brenda
119339 Brenda
139920 Brenda
101865 Brenda
54735 Brenda
5530 Brenda
SCHEMBL223704 SureChEMBL
The data in this table is sourced from UniChem at EBI.