Dataset

2,4-Diaminotoluene; LC-ESI-QTOF; MS2; 10 V

This MassBank record with Accession MSBNK-BAFG-CSL2311107813 contains the MS2 mass spectrum of 2,4-Diaminotoluene with the InChIkey VOZKAJLKRJDJLL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3
SMILES Cc1ccc(N)cc1N
InChI Key VOZKAJLKRJDJLL-UHFFFAOYSA-N
Molecular Formula C7H10N2
Exact Mass 122.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311107813
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 4-methylbenzene-1,3-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    IS1AKN4HYB FDA SRS
    71111-07-4 ACToR
    25376-45-8 ACToR
    95-80-7 ACToR
    14867234 PubChem: Thomson Pharma
    636-23-7 ACToR
    SCHEMBL15010 SureChEMBL
    12236-56-5 ACToR
    477708 eMolecules
    7261 PubChem
    10023591 NMRShiftDB
    MCULE-7032087157 Mcule
    34237 ChEBI
    CB5854712 ChemicalBook
    HMDB0041799 Human Metabolome Database
    133986 Brenda
    MTBLC34237 Metabolights
    DTXSID4020402 EPA CompTox Dashboard
    J3.958F Nikkaji
    TOLDAM CCDC
    ZINC000000388039 ZINC
    C14401 KEGG Ligand
    CHEMBL541230 ChEMBL
    The data in this table is sourced from UniChem at EBI.