Dataset

Thermopsine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82250 contains the MS mass spectrum of Thermopsine with the InChIkey FQEQMASDZFXSJI-UPJWGTAASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12-,13+/m1/s1
SMILES C1CCN2C[C@H]3C[C@@H]([C@@H]2C1)CN4C3=CC=CC4=O
InChI Key FQEQMASDZFXSJI-UPJWGTAASA-N
Molecular Formula C15H20N2O
Exact Mass 244.158 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-Washington_State_Univ-BML82250
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:29.960009
MetadataModified 2024-01-11T22:28:30.122985
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB0736125 ChemicalBook
ZINC000001583786 ZINC
HY-N5009 MedChemExpress
SCHEMBL564928 SureChEMBL
J17.837C Nikkaji
638234 PubChem
60026249 NMRShiftDB
14917133 PubChem: Thomson Pharma
PD127164 ProbesDrugs
486-90-8 ACToR
CHEMBL1324708 ChEMBL
The data in this table is sourced from UniChem at EBI.