Dataset

Biphenyl

This MassBank record with Accession MSBNK-Athens_Univ-AU504009 contains the MS2 mass spectrum of Biphenyl with the InChIkey ZUOUZKKEUPVFJK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
SMILES C1=CC=C(C=C1)C2=CC=CC=C2
InChI Key ZUOUZKKEUPVFJK-UHFFFAOYSA-N
Molecular Formula C12H10
Exact Mass 154.078 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-Athens_Univ-AU504009
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:14:08.005872
MetadataModified 2025-02-08T19:04:15.952655
MetadataPublished 2021-04-20
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL14092 ChEMBL
17097 ChEBI
C06588 KEGG Ligand
BIPHEN CCDC
J3.929B Nikkaji
DTXSID4020161 EPA CompTox Dashboard
ZINC000000968250 ZINC
50168002 BindingDB
BNL PDBe
SCHEMBL164 SureChEMBL
MCULE-2274387658 Mcule
10006018 NMRShiftDB
1885 Brenda
107817 Brenda
CB2491271 ChemicalBook
17097 Rhea
HMDB0034437 Human Metabolome Database
7095 PubChem
PD144582 ProbesDrugs
2L9GJK6MGN FDA SRS
14747957 PubChem: Thomson Pharma
92-52-4 ACToR
56481-93-7 ACToR
68409-73-4 ACToR
481835 eMolecules
The data in this table is sourced from UniChem at EBI.