Dataset

Antrafenine

This MassBank record with Accession MSBNK-Waters-WA001831 contains the MS mass spectrum of Antrafenine with the InChIkey NWGGKKGAFZIVBJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38)
SMILES n(c12)ccc(Nc(c3C(=O)OCCN(C4)CCN(c(c5)cccc5C(F)(F)F)C4)cccc3)c1ccc(C(F)(F)F)c2
InChI Key NWGGKKGAFZIVBJ-UHFFFAOYSA-N
Molecular Formula C30H26F6N4O2
Exact Mass 588.196 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001831
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MetadataCreated 2024-01-11T22:47:45.152638
MetadataModified 2025-02-09T20:27:19.613787
MetadataPublished 2016-01-19
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