Dataset

THYROTROPIN

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P102401_FB57 contains the MS2 mass spectrum of THYROTROPIN with the InChIkey XNSAINXGIQZQOO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)
SMILES C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N
InChI Key XNSAINXGIQZQOO-UHFFFAOYSA-N
Molecular Formula C16H22N6O4
Exact Mass 362.170 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P102401_FB57
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:19.135963
MetadataModified 2024-01-11T09:29:19.319451
MetadataPublished 2021-12-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
86214 BindingDB
MCULE-5812782214 Mcule
32281 PubChem
LSM-45252 LINCS
SCHEMBL8364920 SureChEMBL
10018211 NMRShiftDB
HMDB0259062 Human Metabolome Database
J707.434D Nikkaji
14779136 PubChem: Thomson Pharma
22365-02-2 ACToR
PD000196 ProbesDrugs
29541941 eMolecules
593334 eMolecules
The data in this table is sourced from UniChem at EBI.