Dataset

Enniatin B

This MassBank record with Accession MSBNK-AAFC-AC000459 contains the MS2 mass spectrum of Enniatin B with the InChIkey MIZMDSVSLSIMSC-VYLWARHZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1
SMILES CC(C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C
InChI Key MIZMDSVSLSIMSC-VYLWARHZSA-N
Molecular Formula C33H57N3O9
Exact Mass 639.409 g/mol

Data and Resources

Metadata Information

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License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000459
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MetadataCreated 2024-01-11T09:27:17.364314
MetadataModified 2025-02-08T18:37:14.507484
MetadataPublished 2017-07-07
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