Dataset

Sulfaguanidine; LC-ESI-QTOF; MS2; CE: Ramp 18.5-27.8 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU101201 contains the MS2 mass spectrum of Sulfaguanidine with the InChIkey BRBKOPJOKNSWSG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
SMILES c1cc(ccc1N)S(=O)(=O)NC(=N)N
InChI Key BRBKOPJOKNSWSG-UHFFFAOYSA-N
Molecular Formula C7H10N4O2S
Exact Mass 214.052 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-AU101201
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MetadataPublished 2015-07-05
Related Molecule
  • 2-(4-aminophenyl)sulfonylguanidine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL338802 ChEMBL
    50027795 BindingDB
    ZZZAYP CCDC
    HMDB0258573 Human Metabolome Database
    J2.328K Nikkaji
    DTXSID1023609 EPA CompTox Dashboard
    2505 DrugCentral
    94621 ChEBI
    HY-B1267 MedChemExpress
    SULFAGUANIDINE rxnorm
    5324 PubChem
    226954 Brenda
    DB13726 DrugBank
    LSM-5563 LINCS
    SCHEMBL93639 SureChEMBL
    sulfaguanidine Selleck
    15220292 PubChem: Thomson Pharma
    57-67-0 ACToR
    15XQ8043FN FDA SRS
    QA9 PDBe
    PD001497 ProbesDrugs
    474314 eMolecules
    20529 Brenda
    CB7152799 ChemicalBook
    ZINC000003873927 ZINC
    MCULE-9682829853 Mcule
    The data in this table is sourced from UniChem at EBI.