Dataset

Erythromycin; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL2311108076 contains the MS2 mass spectrum of Erythromycin with the InChIkey ULGZDMOVFRHVEP-RWJQBGPGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChI Key ULGZDMOVFRHVEP-RWJQBGPGSA-N
Molecular Formula C37H67NO13
Exact Mass 733.461 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311108076
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
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    ERY rcsb_pdb
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    2601 surechembl
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    63937KV33D fdasrs
    PD002345 probes_and_drugs
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    HMDB0014344 hmdb
    DTXSID4022991 comptox
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    Molport-002-507-378 molport
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    50344942 bindingdb
    86313 bindingdb
    The data in this table is sourced from UniChem at EBI.