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
Explore
- More information
- Go to resource

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	2024-01-11T15:56:03.958465
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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