Dataset

3-Methyl-N-phenylaniline

This MassBank record with Accession MSBNK-LCSB-LU073104 contains the MS2 mass spectrum of 3-Methyl-N-phenylaniline with the InChIkey TWPMMLHBHPYSMT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
SMILES CC1=CC(NC2=CC=CC=C2)=CC=C1
InChI Key TWPMMLHBHPYSMT-UHFFFAOYSA-N
Molecular Formula C13H13N
Exact Mass 183.105 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-LCSB-LU073104
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T18:27:59.807384
MetadataModified 2025-02-09T14:55:07.625997
MetadataPublished 2020-08-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-5568632582 Mcule
20209260 NMRShiftDB
9XG PDBe
CB8199454 ChemicalBook
486292 eMolecules
15959430 PubChem: Thomson Pharma
SCHEMBL234363 SureChEMBL
1205-64-7 ACToR
14569 PubChem
ZINC000002039769 ZINC
DTXSID9044790 EPA CompTox Dashboard
7597YZ9367 FDA SRS
J29.921I Nikkaji
CHEMBL1339734 ChEMBL
The data in this table is sourced from UniChem at EBI.