Dataset

Cyclamate; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU237957 contains the MS2 mass spectrum of Cyclamate with the InChIkey HCAJEUSONLESMK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)
SMILES OS(=O)(=O)NC1CCCCC1
InChI Key HCAJEUSONLESMK-UHFFFAOYSA-N
Molecular Formula C6H13NO3S
Exact Mass 179.062 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-AU237957
Version
Author
Maintainer
Language
MetadataPublished 2019-03-29
Related Molecule
  • cyclohexylsulfamic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    43947 Brenda
    116161 Brenda
    103757 Brenda
    HMDB0031340 Human Metabolome Database
    MTBLC15964 Metabolights
    92987 Brenda
    MCULE-4630986316 Mcule
    7533 PubChem
    15462612 PubChem: Thomson Pharma
    cyclamic-acid Selleck
    SCHEMBL6227 SureChEMBL
    100-88-9 ACToR
    HN3OFO5036 FDA SRS
    80004439 NMRShiftDB
    PD002515 ProbesDrugs
    495583 eMolecules
    28294766 eMolecules
    DTXSID5041809 EPA CompTox Dashboard
    RIFVIM CCDC
    CYCLAMATE rxnorm
    HY-B0541 MedChemExpress
    ZINC000001529532 ZINC
    CYCLAMIC ACID clinicaltrials
    J4.986G Nikkaji
    CB8173481 ChemicalBook
    139063605 PubChem
    15964 ChEBI
    C02824 KEGG Ligand
    CHEMBL1206440 ChEMBL
    The data in this table is sourced from UniChem at EBI.