Dataset

Harman; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR305161 contains the MS2 mass spectrum of Harman with the InChIkey PSFDQSOCUJVVGF-UHFFFAOYSA-N.

Chemical Information

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=C2NC3=CC=CC=C3C2=CC=N1
InChI Key PSFDQSOCUJVVGF-UHFFFAOYSA-N
Molecular Formula C12H10N2
Exact Mass 182.226 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-RIKEN-PR305161
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C09209 KEGG Ligand
    CHEMBL12014 ChEMBL
    5623 ChEBI
    J1.550D Nikkaji
    ZZZTDW CCDC
    HY-101392 MedChemExpress
    50013786 BindingDB
    DTXSID80197568 EPA CompTox Dashboard
    5281404 PubChem
    CB9698060 ChemicalBook
    CN9 PDBe
    PD001546 ProbesDrugs
    82D6J0535P FDA SRS
    15120650 PubChem: Thomson Pharma
    C09209 Recon
    486-84-0 ACToR
    LSM-19989 LINCS
    477806 eMolecules
    MCULE-7967173312 Mcule
    10018197 NMRShiftDB
    SCHEMBL141723 SureChEMBL
    HMDB0035196 Human Metabolome Database
    ZINC000006069162 ZINC
    MTBLC5623 Metabolights
    5155 Brenda
    5773 Brenda
    The data in this table is sourced from UniChem at EBI.