Dataset

N-Desmethylrosuvastatin; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01154807 contains the MS2 mass spectrum of N-Desmethylrosuvastatin with the InChIkey DJUKMHIJCDJSIJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H26FN3O6S/c1-12(2)19-17(9-8-15(26)10-16(27)11-18(28)29)20(13-4-6-14(22)7-5-13)24-21(23-19)25-32(3,30)31/h4-9,12,15-16,26-27H,10-11H2,1-3H3,(H,28,29)(H,23,24,25)
SMILES CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)NS(=O)(=O)C
InChI Key DJUKMHIJCDJSIJ-UHFFFAOYSA-N
Molecular Formula C21H26FN3O6S
Exact Mass 467.153 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01154807
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MetadataPublished 2024-05-08
Related Molecule
  • 7-[4-(4-fluorophenyl)-2-(methanesulfonamido)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD094751 ProbesDrugs
    72618512 PubChem
    The data in this table is sourced from UniChem at EBI.