Dataset

ROSUVASTATIN; ESI-QTOF; MS2; CE 18 eV; [M-H]-

This MassBank record with Accession MSBNK-UPAO-UPA00013 contains the MS2 mass spectrum of ROSUVASTATIN with the InChIkey BPRHUIZQVSMCRT-VEUZHWNKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
SMILES CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
InChI Key BPRHUIZQVSMCRT-VEUZHWNKSA-N
Molecular Formula C22H28FN3O6S
Exact Mass 481.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00013
Version
Author
Maintainer
Language
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Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01098 drugbank
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    CHEMBL1496 chembl
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    PD009808 probes_and_drugs
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    2406 drugcentral
    18372 bindingdb
    The data in this table is sourced from UniChem at EBI.