Dataset

Josamycin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81496 contains the MS mass spectrum of Josamycin with the InChIkey XJSFLOJWULLJQS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3
SMILES CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O
InChI Key XJSFLOJWULLJQS-UHFFFAOYSA-N
Molecular Formula C42H69NO15
Exact Mass 827.467 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-BML81496
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:01.572791
MetadataModified 2024-01-11T22:25:01.730706
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3804 PubChem
PD031727 ProbesDrugs
The data in this table is sourced from UniChem at EBI.