Dataset

3-NITROPHENOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008236 contains the MS mass spectrum of 3-NITROPHENOL with the InChIkey RTZZCYNQPHTPPL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
SMILES Oc(c1)cc(cc1)[N+1]([O-1])=O
InChI Key RTZZCYNQPHTPPL-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-JP008236
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-nitrophenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C14418 KEGG Ligand
    CHEMBL13888 ChEMBL
    34346 ChEBI
    MNPHOL CCDC
    HMDB0245949 Human Metabolome Database
    ZINC000001576887 ZINC
    DTXSID2025765 EPA CompTox Dashboard
    1857 Brenda
    ZCQ PDBe
    CB3728637 ChemicalBook
    9210 Brenda
    MCULE-3385567100 Mcule
    20045305 NMRShiftDB
    11137 PubChem
    T6P4T52V9W FDA SRS
    SCHEMBL50135 SureChEMBL
    554-84-7 ACToR
    15170751 PubChem: Thomson Pharma
    484526 eMolecules
    The data in this table is sourced from UniChem at EBI.