Dataset

erythromycin ethylsuccinate; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81205 contains the MS mass spectrum of erythromycin ethylsuccinate with the InChIkey NSYZCCDSJNWWJL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3
SMILES CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O
InChI Key NSYZCCDSJNWWJL-UHFFFAOYSA-N
Molecular Formula C43H75NO16
Exact Mass 861.509 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-Washington_State_Univ-BML81205
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4-O-[4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] 1-O-ethyl butanedioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:94382 chebi
    CHEMBL4550869 chembl
    3256 pubchem
    PD003007 probes_and_drugs
    HMDB0251936 hmdb
    Molport-002-339-586 molport
    The data in this table is sourced from UniChem at EBI.