Dataset

Tryprostatin B

This MassBank record with Accession MSBNK-AAFC-AC000863 contains the MS2 mass spectrum of Tryprostatin B with the InChIkey GLWYBXPXOSKQAW-OALUTQOASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H25N3O2/c1-13(2)9-10-17-15(14-6-3-4-7-16(14)22-17)12-18-21(26)24-11-5-8-19(24)20(25)23-18/h3-4,6-7,9,18-19,22H,5,8,10-12H2,1-2H3,(H,23,25)/t18-,19-/m0/s1
SMILES CC(=CCC1=C(C2=CC=CC=C2N1)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3)C
InChI Key GLWYBXPXOSKQAW-OALUTQOASA-N
Molecular Formula C21H25N3O2
Exact Mass 351.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000863
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:37.330787
MetadataModified 2024-01-11T09:24:37.472096
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL36668 ChEMBL
9863281 PubChem
60073766 NMRShiftDB
14952948 PubChem: Thomson Pharma
14827781 PubChem: Thomson Pharma
72760 ChEBI
J701.452J Nikkaji
19694 Brenda
DTXSID40893998 EPA CompTox Dashboard
MTBLC72760 Metabolights
72760 Rhea
214911 Brenda
The data in this table is sourced from UniChem at EBI.