Dataset

p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS032602 contains the MS2 mass spectrum of p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP with the InChIkey XZKIHKMTEMTJQX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
SMILES	C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O
InChI Key	XZKIHKMTEMTJQX-UHFFFAOYSA-N
Molecular Formula	C6H6NO6P
Exact Mass	219.091 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS032602
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:14:49.276848
MetadataModified	2025-02-09T19:06:47.738641
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-5038636902	Mcule
378	PubChem
MTBLC17440	Metabolights
133672	Brenda
5198	Brenda
184	Brenda
40098	Brenda
CB2142160	ChemicalBook
136	Brenda
20843	Brenda
HMDB0060272	Human Metabolome Database
DTXSID60861876	EPA CompTox Dashboard
59262	Brenda
PD006874	ProbesDrugs
15220398	PubChem: Thomson Pharma
330-13-2	ACToR
SCHEMBL35320	SureChEMBL
60020619	NMRShiftDB
1984979	eMolecules
DB04214	DrugBank
C03360	KEGG Ligand
CHEMBL24231	ChEMBL
17440	ChEBI
4NP	PDBe
ZINC000001529638	ZINC
RECZIJ	CCDC
24514	BindingDB
59NF9TE3BA	FDA SRS
CB8443186	ChemicalBook
101922	Brenda
The data in this table is sourced from UniChem at EBI.