Dataset

Lamotrigine; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA001273 contains the MS mass spectrum of Lamotrigine with the InChIkey PYZRQGJRPPTADH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
SMILES Nc(n2)nc(N)c(n2)c(c1)c(Cl)c(Cl)cc1
InChI Key PYZRQGJRPPTADH-UHFFFAOYSA-N
Molecular Formula C9H7Cl2N5
Exact Mass 255.008 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-Waters-WA001273
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12013463 PubChem: Drugs of the Future
    DB00555 DrugBank
    2622 Guide to Pharmacology
    CHEMBL741 ChEMBL
    6367 ChEBI
    SAM001246697 NIH Clinical Collection
    LAMOTRIGINE clinicaltrials
    BW 430C clinicaltrials
    BW-430C clinicaltrials
    LAMICTAL rxnorm
    HY-B0495 MedChemExpress
    DTXSID2023195 EPA CompTox Dashboard
    1540 DrugCentral
    LAMICTAL clinicaltrials
    LAMOTRIGINE rxnorm
    ZINC000000013156 ZINC
    EFEMUX CCDC
    50031299 BindingDB
    J25.814H Nikkaji
    LAMOTRIGINE DailyMed
    169768 Brenda
    lamotrigine DailyMed
    CB4166704 ChemicalBook
    7741 Brenda
    HMDB0014695 Human Metabolome Database
    MCULE-7648410888 Mcule
    SCHEMBL35439 SureChEMBL
    3878 PubChem
    IYJ PDBe
    PD000352 ProbesDrugs
    U3H27498KS FDA SRS
    14823602 PubChem: Thomson Pharma
    84057-84-1 ACToR
    PA450164 PharmGKB
    lamotrigine Selleck
    LSM-4104 LINCS
    578746 eMolecules
    The data in this table is sourced from UniChem at EBI.