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
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Maintainer
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MetadataPublished 2019-03-29
Related Molecule
  • cyclohexylsulfamic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:15964 chebi
    CHEMBL1206440 chembl
    6227 surechembl
    139063605 pubchem
    7533 pubchem
    12470 gtopdb
    PD002515 probes_and_drugs
    RIFVIM CCDC
    103757 brenda
    116161 brenda
    43947 brenda
    92987 brenda
    HN3OFO5036 fdasrs
    HMDB0031340 hmdb
    Molport-001-789-485 molport
    The data in this table is sourced from UniChem at EBI.