Dataset

Erythromycin; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+

This MassBank record with Accession MSBNK-IPB_Halle-PB005803 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]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)O)C)C)O)(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 https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-IPB_Halle-PB005803
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    HMDB0014344 hmdb
    1402069 bindingdb
    187005 bindingdb
    187006 bindingdb
    188799 bindingdb
    206519 bindingdb
    208943 bindingdb
    377188 bindingdb
    50005078 bindingdb
    50344434 bindingdb
    50376567 bindingdb
    50566873 bindingdb
    50642344 bindingdb
    50642365 bindingdb
    50772814 bindingdb
    50772926 bindingdb
    50773046 bindingdb
    50773429 bindingdb
    50774876 bindingdb
    50775021 bindingdb
    50775178 bindingdb
    50775463 bindingdb
    50789787 bindingdb
    50818146 bindingdb
    50818152 bindingdb
    50818177 bindingdb
    50818202 bindingdb
    50818222 bindingdb
    50820691 bindingdb
    50820694 bindingdb
    50822178 bindingdb
    50863939 bindingdb
    50878227 bindingdb
    50878229 bindingdb
    50903264 bindingdb
    50903287 bindingdb
    50918615 bindingdb
    50918818 bindingdb
    50920612 bindingdb
    50952622 bindingdb
    50952644 bindingdb
    50999509 bindingdb
    51007646 bindingdb
    51007686 bindingdb
    51008408 bindingdb
    51040675 bindingdb
    51180671 bindingdb
    51180705 bindingdb
    51284521 bindingdb
    51284542 bindingdb
    51284593 bindingdb
    51284720 bindingdb
    51284777 bindingdb
    Molport-002-507-378 molport
    1048 drugcentral
    The data in this table is sourced from UniChem at EBI.