Dataset

Tritoqualine

This MassBank record with Accession MSBNK-Waters-WA000448 contains the MS mass spectrum of Tritoqualine with the InChIkey HPZAECZDDHOSOA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H32N2O8/c1-6-31-23-18-17(19(27)24(32-7-2)25(23)33-8-3)26(29)36-21(18)15-10-14-13(11-28(15)4)9-16-22(20(14)30-5)35-12-34-16/h9,15,21H,6-8,10-12,27H2,1-5H3
SMILES O(c(c1OCC)c(c(C2C(N3C)Cc(c5OC)c(cc(c45)OCO4)C3)c(C(O2)=O)c1N)OCC)CC
InChI Key HPZAECZDDHOSOA-UHFFFAOYSA-N
Molecular Formula C26H32N2O8
Exact Mass 500.216 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000448
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:47:41.483638
MetadataModified 2024-01-11T22:47:41.634434
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
137628397 PubChem
The data in this table is sourced from UniChem at EBI.