Dataset

Doxycycline; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ367802 contains the MS2 mass spectrum of Doxycycline with the InChIkey SGKRLCUYIXIAHR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)
SMILES CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
InChI Key SGKRLCUYIXIAHR-UHFFFAOYSA-N
Molecular Formula C22H24N2O8
Exact Mass 444.153 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-EQ367802
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MetadataPublished 2015-08-25
Related Molecule
  • 4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    54681536 PubChem
    PD055780 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.