Dataset

Clarithromycin; LC-ESI-QTOF; MS2; CE: Ramp 30.8-46.2 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU105301 contains the MS2 mass spectrum of Clarithromycin with the InChIkey AGOYDEPGAOXOCK-KCBOHYOISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
SMILES CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI Key AGOYDEPGAOXOCK-KCBOHYOISA-N
Molecular Formula C38H69NO13
Exact Mass 747.477 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-Athens_Univ-AU105301
Version
Author
Maintainer
Language
MetadataPublished 2015-07-05
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01211 drugbank
    LMPK04000014 lipidmaps
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    H1250JIK0A fdasrs
    PD001219 probes_and_drugs
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    22099 brenda
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    50404044 bindingdb
    The data in this table is sourced from UniChem at EBI.