Dataset

Dihydrosamidin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+NH4]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA00001 contains the MS2 mass spectrum of Dihydrosamidin with the InChIkey ALKTVPFKDYZFGA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H24O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3
SMILES CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
InChI Key ALKTVPFKDYZFGA-UHFFFAOYSA-N
Molecular Formula C21H24O7
Exact Mass 388.421 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-RIKEN_NPDepo-NGA00001
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MetadataPublished 2018-04-04
Related Molecule
  • (10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 3-methylbutanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1302867 ChEMBL
    2841560 PubChem
    56393083 PubChem: Thomson Pharma
    21311-66-0 ACToR
    1156598 eMolecules
    MCULE-4521824992 Mcule
    The data in this table is sourced from UniChem at EBI.