Dataset

p-aminophenol

This MassBank record with Accession MSBNK-UvA_IBED-UI000901 contains the MS2 mass spectrum of p-aminophenol with the InChIkey PLIKAWJENQZMHA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
SMILES	C1(=CC=C(C=C1)N)O
InChI Key	PLIKAWJENQZMHA-UHFFFAOYSA-N
Molecular Formula	C6H7NO
Exact Mass	109.053 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UvA_IBED-UI000901
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T19:56:36.384468
MetadataModified	2025-02-09T19:56:36.545345
MetadataPublished	2024-08-27

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C02372	KEGG Ligand
4NL	PDBe
17602	ChEBI
CHEMBL1142	ChEMBL
DTXSID3024499	EPA CompTox Dashboard
26195	BindingDB
AMPHOL	CCDC
J3.620J	Nikkaji
4-AMINOPHENOL	rxnorm
7265	Brenda
403	PubChem
R7P8FRP05V	FDA SRS
PD055441	ProbesDrugs
15119742	PubChem: Thomson Pharma
123-30-8	ACToR
477088	eMolecules
12370	Brenda
MTBLC17602	Metabolights
ZINC000004623758	ZINC
DB14144	DrugBank
CB5852965	ChemicalBook
17602	Rhea
HMDB0001169	Human Metabolome Database
3441	Brenda
102025	Brenda
94607	Brenda
SCHEMBL3424	SureChEMBL
MCULE-3319647085	Mcule
10008620	NMRShiftDB
The data in this table is sourced from UniChem at EBI.