Dataset

Tritoqualine

This MassBank record with Accession MSBNK-Waters-WA000451 contains the MS mass spectrum of Tritoqualine with the InChIkey IRGJVQIJENCTQF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H32N2O8/c1-6-31-23-17-16(18(27)24(32-7-2)25(23)33-8-3)26(29)36-21(17)19-15-13(9-10-28(19)4)11-14-20(22(15)30-5)35-12-34-14/h11,19,21H,6-10,12,27H2,1-5H3
SMILES C(C(c54)OC(=O)c4c(c(c(OCC)c(OCC)5)OCC)N)(N3C)c(c(CC3)1)c(OC)c(O2)c(OC2)c1
InChI Key IRGJVQIJENCTQF-UHFFFAOYSA-N
Molecular Formula C26H32N2O8
Exact Mass 500.216 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-WA000451
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MetadataCreated 2024-01-11T22:45:25.271095
MetadataModified 2025-02-09T20:26:41.081269
MetadataPublished 2016-01-19
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