Dataset

2-PHENYL-1H-INDOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009840 contains the MS mass spectrum of 2-PHENYL-1H-INDOLE with the InChIkey KLLLJCACIRKBDT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H
SMILES C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2
InChI Key KLLLJCACIRKBDT-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-JP009840
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:25:46.472196
MetadataModified 2025-02-09T11:35:27.696007
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
113541 ChEBI
DTXSID8061343 EPA CompTox Dashboard
ZINC000001021978 ZINC
J36.864D Nikkaji
HMDB0245294 Human Metabolome Database
XOMTOL CCDC
7391 BindingDB
CB9725557 ChemicalBook
CHEMBL75756 ChEMBL
MCULE-4466025758 Mcule
SCHEMBL341378 SureChEMBL
13698 PubChem
90372 NMRShiftDB
MQD44HV3P1 FDA SRS
15219892 PubChem: Thomson Pharma
LSM-24958 LINCS
593391 eMolecules
The data in this table is sourced from UniChem at EBI.