Dataset

Nystatin

This MassBank record with Accession MSBNK-Eawag-EQ314003 contains the MS2 mass spectrum of Nystatin with the InChIkey VQOXZBDYSJBXMA-NQTDYLQESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
SMILES CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
InChI Key VQOXZBDYSJBXMA-NQTDYLQESA-N
Molecular Formula C47H75NO17
Exact Mass 925.504 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ314003
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Maintainer
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MetadataCreated 2024-01-11T14:39:12.175810
MetadataModified 2024-01-11T14:39:12.358443
MetadataPublished 2015-08-25
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables