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

molecular Image
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

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.