Dataset

Erythromycin; LC-ESI-QTOF; MS2; 70 V

This MassBank record with Accession MSBNK-BAFG-CSL2311108086 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-CSL2311108086
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00199 drugbank
    LMPK04000006 lipidmaps
    ERY rcsb_pdb
    CHEMBL532 chembl
    2601 surechembl
    12560 pubchem
    63937KV33D fdasrs
    PD002345 probes_and_drugs
    QIFKEX CCDC
    106012 brenda
    106013 brenda
    229423 brenda
    229424 brenda
    41741 brenda
    5148 brenda
    ERY - Ideal conformer pdbe
    CHEBI:42355 chebi
    HMDB0014344 hmdb
    Molport-002-507-378 molport
    1048 drugcentral
    50344942 bindingdb
    86313 bindingdb
    The data in this table is sourced from UniChem at EBI.