Dataset

Spiroxamine; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF401903 contains the MS2 mass spectrum of Spiroxamine with the InChIkey PUYXTUJWRLOUCW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
SMILES CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1
InChI Key PUYXTUJWRLOUCW-UHFFFAOYSA-N
Molecular Formula C18H35NO2
Exact Mass 297.267 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-UFZ-UF401903
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MetadataPublished 2017-01-05
Related Molecule
  • N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    174594 Brenda
    PD085454 ProbesDrugs
    86160 PubChem
    SCHEMBL20282 SureChEMBL
    14751600 PubChem: Thomson Pharma
    118134-30-8 ACToR
    511378 eMolecules
    CB9324635 ChemicalBook
    252976 Brenda
    DTXSID1034212 EPA CompTox Dashboard
    HMDB0258432 Human Metabolome Database
    MCULE-9507982331 Mcule
    OUT5YHB7BO FDA SRS
    J1.596.319K Nikkaji
    CHEMBL445338 ChEMBL
    C11124 KEGG Ligand
    9242 ChEBI
    The data in this table is sourced from UniChem at EBI.