Dataset

Amcinonide; LC-ESI-QTOF; MS2; CE: Ramp 25.7-38.5 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU282506 contains the MS2 mass spectrum of Amcinonide with the InChIkey ILKJAFIWWBXGDU-MOGDOJJUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1
SMILES [H][C@@]12C[C@H]3OC4(CCCC4)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
InChI Key ILKJAFIWWBXGDU-MOGDOJJUSA-N
Molecular Formula C28H35FO7
Exact Mass 502.237 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-AU282506
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MetadataPublished 2019-05-31
Related Molecule
  • [2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxospiro[5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,1'-cyclopentane]-8-yl]-2-oxoethyl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB4419202 ChemicalBook
    AMCINONIDE DailyMed
    AMCINONIDE rxnorm
    HY-B1197 MedChemExpress
    VAYJOW CCDC
    150 DrugCentral
    7060 Guide to Pharmacology
    J3.189E Nikkaji
    DTXSID6045905 EPA CompTox Dashboard
    DB00288 DrugBank
    CHEMBL1200732 ChEMBL
    31199 ChEBI
    HMDB0014433 Human Metabolome Database
    ZINC000003977777 ZINC
    amcinonide DailyMed
    443958 PubChem
    PD010122 ProbesDrugs
    423W026MA9 FDA SRS
    15084976 PubChem: Thomson Pharma
    51022-69-6 ACToR
    PA164746074 PharmGKB
    SCHEMBL4720 SureChEMBL
    36552996 eMolecules
    29542661 eMolecules
    533979 eMolecules
    The data in this table is sourced from UniChem at EBI.