Dataset

Demecolcine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01026 contains the MS2 mass spectrum of Demecolcine with the InChIkey NNJPGOLRFBJNIW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3
SMILES CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI Key NNJPGOLRFBJNIW-UHFFFAOYSA-N
Molecular Formula C21H25NO5
Exact Mass 371.173 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01026
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MetadataCreated 2024-01-11T22:20:31.638546
MetadataModified 2025-02-09T20:11:18.240995
MetadataPublished 2016-01-19
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