Dataset

Rosuvastatin; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA280209 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 https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA280209
Version
Author
Maintainer
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MetadataPublished 2014-01-14
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01098 drugbank
    CHEBI:38545 chebi
    CHEMBL1496 chembl
    2520 surechembl
    29722976 surechembl
    446157 pubchem
    413KH5ZJ73 fdasrs
    PD009808 probes_and_drugs
    229904 brenda
    229905 brenda
    8562 brenda
    HMDB0015230 hmdb
    188968 bindingdb
    188969 bindingdb
    319516 bindingdb
    32851 bindingdb
    32906 bindingdb
    37437 bindingdb
    40110 bindingdb
    50105998 bindingdb
    50408631 bindingdb
    50500126 bindingdb
    50500127 bindingdb
    50500128 bindingdb
    50503590 bindingdb
    50645032 bindingdb
    50825072 bindingdb
    Molport-000-883-884 molport
    2406 drugcentral
    The data in this table is sourced from UniChem at EBI.