Dataset

o-Toluidine; LC-ESI-QFT; MS2; CE: 61.67%; R=35000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA007201 contains the MS2 mass spectrum of o-Toluidine with the InChIkey RNVCVTLRINQCPJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
SMILES Cc1ccccc1N
InChI Key RNVCVTLRINQCPJ-UHFFFAOYSA-N
Molecular Formula C7H9N
Exact Mass 107.073 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA007201
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MetadataPublished 2017-08-17
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    7242 PubChem
    66892 ChEBI
    B635MZ0ZLU FDA SRS
    15218780 PubChem: Thomson Pharma
    95-53-4 ACToR
    SCHEMBL15789 SureChEMBL
    636-21-5 ACToR
    477371 eMolecules
    27524290 eMolecules
    MCULE-2695214373 Mcule
    20033130 NMRShiftDB
    91106 Brenda
    15895 Brenda
    HMDB0041965 Human Metabolome Database
    CB6854698 ChemicalBook
    176012 Brenda
    13918 Brenda
    5103 Brenda
    C14403 KEGG Ligand
    CHEMBL1381 ChEMBL
    DTXSID1026164 EPA CompTox Dashboard
    51V PDBe
    J3.953E Nikkaji
    KICPOE CCDC
    ZINC000001706910 ZINC
    The data in this table is sourced from UniChem at EBI.