Dataset

3-PHENYLINDOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004346 contains the MS mass spectrum of 3-PHENYLINDOLE with the InChIkey XZNGTBLWFCRXKR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H11N/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-10,15H
SMILES C1=CC=C(C=C1)C2=CNC3=CC=CC=C32
InChI Key XZNGTBLWFCRXKR-UHFFFAOYSA-N
Molecular Formula C14H11N
Exact Mass 193.089 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-JP004346
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:27.768605
MetadataModified 2024-01-11T15:56:27.919940
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
96502 PubChem
15462990 PubChem: Thomson Pharma
1504-16-1 ACToR
7676CPK41G FDA SRS
J47.175E Nikkaji
90373 NMRShiftDB
SCHEMBL84056 SureChEMBL
DTXSID80164538 EPA CompTox Dashboard
CB31330880 ChemicalBook
ZINC000001023851 ZINC
CHEMBL394896 ChEMBL
984417 eMolecules
The data in this table is sourced from UniChem at EBI.