Dataset

4-Nonylphenol

This MassBank record with Accession MSBNK-Antwerp_Univ-AN123826 contains the MS2 mass spectrum of 4-Nonylphenol with the InChIkey IGFHQQFPSIBGKE-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
SMILES	CCCCCCCCCC1=CC=C(C=C1)O
InChI Key	IGFHQQFPSIBGKE-UHFFFAOYSA-N
Molecular Formula	C15H24O
Exact Mass	220.183 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-Antwerp_Univ-AN123826
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:30:06.170925
MetadataModified	2025-02-08T18:46:43.922067
MetadataPublished	2021-08-13

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-5930378829	Mcule
33319	Brenda
136554	Brenda
HMDB0038982	Human Metabolome Database
LMPK15010001	LipidMaps
7529	Brenda
24461	Brenda
155605	Brenda
495169	eMolecules
1752	PubChem
PD002549	ProbesDrugs
LSM-19987	LINCS
25154-52-3	ACToR
68081-86-7	ACToR
104-40-5	ACToR
SCHEMBL15887	SureChEMBL
15220440	PubChem: Thomson Pharma
C14550	KEGG Ligand
CHEMBL153062	ChEMBL
34440	ChEBI
CB8719252	ChemicalBook
50410532	BindingDB
DTXSID5033836	EPA CompTox Dashboard
ZINC000001850497	ZINC
J45.974G	Nikkaji
The data in this table is sourced from UniChem at EBI.