Dataset

Thalsimidine

This MassBank record with Accession MSBNK-RIKEN-PR308747 contains the MS2 mass spectrum of Thalsimidine with the InChIkey CLDCTFPNFRITPI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C37H38N2O7/c1-39-15-13-25-33-28(39)17-22-8-11-29(41-2)31(18-22)45-24-9-6-21(7-10-24)16-27-26-20-32(30(42-3)19-23(26)12-14-38-27)46-35(33)37(44-5)36(43-4)34(25)40/h6-11,18-20,28,40H,12-17H2,1-5H3
SMILES COC1=CC=C2CC3N(C)CCC4=C(O)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN=C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
InChI Key CLDCTFPNFRITPI-UHFFFAOYSA-N
Molecular Formula C37H38N2O7
Exact Mass 622.718 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-PR308747
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:59.708875
MetadataModified 2024-01-11T20:41:59.891316
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3752085 PubChem
3752086 PubChem
The data in this table is sourced from UniChem at EBI.