Dataset

Tricoumaroyl spermidine

This MassBank record with Accession MSBNK-RIKEN-PR309363 contains the MS2 mass spectrum of Tricoumaroyl spermidine with the InChIkey PFDVWJCSCYDRMZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)
SMILES O=C(C=CC1=CC=C(O)C=C1)NCCCN(C(=O)C=CC2=CC=C(O)C=C2)CCCCNC(=O)C=CC3=CC=C(O)C=C3
InChI Key PFDVWJCSCYDRMZ-UHFFFAOYSA-N
Molecular Formula C34H37N3O6
Exact Mass 583.685 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309363
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:30:52.946082
MetadataModified 2025-02-09T18:28:15.917727
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0304518 Human Metabolome Database
72739177 PubChem
The data in this table is sourced from UniChem at EBI.