Dataset

Azithromycin

This MassBank record with Accession MSBNK-Athens_Univ-AU105205 contains the MS2 mass spectrum of Azithromycin with the InChIkey MQTOSJVFKKJCRP-OHJWJPDZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22?,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/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(C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
InChI Key MQTOSJVFKKJCRP-OHJWJPDZSA-N
Molecular Formula C38H72N2O12
Exact Mass 748.509 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-Athens_Univ-AU105205
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:53:56.754240
MetadataModified 2025-02-08T19:02:47.902355
MetadataPublished 2015-12-06
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
55185 PubChem
PD013809 ProbesDrugs
SCHEMBL537398 SureChEMBL
30151934 eMolecules
PA448519 PharmGKB
LMPK04000013 LipidMaps
C06838 KEGG Ligand
The data in this table is sourced from UniChem at EBI.