Dataset

Harman

This MassBank record with Accession MSBNK-Fiocruz-FIO00113 contains the MS2 mass spectrum of Harman with the InChIkey PSFDQSOCUJVVGF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
SMILES CC1=NC=CC2=C1NC3=CC=CC=C23
InChI Key PSFDQSOCUJVVGF-UHFFFAOYSA-N
Molecular Formula C12H10N2
Exact Mass 182.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00113
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:43:24.524629
MetadataModified 2024-01-11T16:43:24.713853
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C09209 KEGG Ligand
CHEMBL12014 ChEMBL
5623 ChEBI
477806 eMolecules
SCHEMBL141723 SureChEMBL
MCULE-7967173312 Mcule
ZZZTDW CCDC
J1.550D Nikkaji
10018197 NMRShiftDB
CN9 PDBe
PD001546 ProbesDrugs
82D6J0535P FDA SRS
15120650 PubChem: Thomson Pharma
C09209 Recon
486-84-0 ACToR
LSM-19989 LINCS
5281404 PubChem
5773 Brenda
HMDB0035196 Human Metabolome Database
CB9698060 ChemicalBook
MTBLC5623 Metabolights
5155 Brenda
50013786 BindingDB
HY-101392 MedChemExpress
ZINC000006069162 ZINC
DTXSID80197568 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.