Dataset

2-NITROPHENOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008235 contains the MS mass spectrum of 2-NITROPHENOL with the InChIkey IQUPABOKLQSFBK-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
SMILES	[O-1][N+1](=O)c(c1)c(O)ccc1
InChI Key	IQUPABOKLQSFBK-UHFFFAOYSA-N
Molecular Formula	C6H5NO3
Exact Mass	139.027 g/mol

Data and Resources

2-NITROPHENOLHTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP008235
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:03.794391
MetadataModified	2025-02-09T11:54:55.715943
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
OPO	PDBe
HMDB0245260	Human Metabolome Database
ONITPH	CCDC
1099	Brenda
DTXSID1021790	EPA CompTox Dashboard
CHEMBL14205	ChEMBL
16260	ChEBI
C01988	KEGG Ligand
1508	Brenda
ZINC000034719541	ZINC
CB3854576	ChemicalBook
140997	Brenda
10020397	NMRShiftDB
MCULE-1415513135	Mcule
SCHEMBL26026	SureChEMBL
6947	PubChem
15170753	PubChem: Thomson Pharma
88-75-5	ACToR
BD148E95KD	FDA SRS
496452	eMolecules
The data in this table is sourced from UniChem at EBI.