Dataset

Hirsuteine

This MassBank record with Accession MSBNK-RIKEN-PR300232 contains the MS2 mass spectrum of Hirsuteine with the InChIkey TZUGIFAYWNNSAO-AZQGJTAVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13-14,17,20,23H,1,9-12H2,2-3H3/b18-13+/t14-,17-,20+/m0/s1
SMILES CO\C=C(/[C@H]1C[C@H]2N(CCC3=C2NC2=CC=CC=C32)C[C@@H]1C=C)C(=O)OC
InChI Key TZUGIFAYWNNSAO-AZQGJTAVSA-N
Molecular Formula C22H26N2O3
Exact Mass 366.461 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-PR300232
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:07.438472
MetadataModified 2024-01-11T20:39:07.619245
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C16971 KEGG Ligand
15350164 PubChem: Thomson Pharma
60070962 NMRShiftDB
PD125689 ProbesDrugs
3037151 PubChem
MTBLC80834 Metabolights
ZINC000026846068 ZINC
80834 ChEBI
HY-N2197 MedChemExpress
43X9C2G2W5 FDA SRS
The data in this table is sourced from UniChem at EBI.