Dataset

Mabuterol

This MassBank record with Accession MSBNK-Athens_Univ-AU110204 contains the MS2 mass spectrum of Mabuterol with the InChIkey JSJCTEKTBOKRST-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H18ClF3N2O/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7/h4-5,10,19-20H,6,18H2,1-3H3
SMILES CC(C)(C)NCC(c1cc(c(c(c1)Cl)N)C(F)(F)F)O
InChI Key JSJCTEKTBOKRST-UHFFFAOYSA-N
Molecular Formula C13H18ClF3N2O
Exact Mass 310.106 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-Athens_Univ-AU110204
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:42:58.353727
MetadataModified 2024-01-11T09:42:58.519586
MetadataPublished 2015-09-22
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J33.086H Nikkaji
HMDB0254289 Human Metabolome Database
3995 PubChem
PD014041 ProbesDrugs
15048831 PubChem: Thomson Pharma
56341-08-3 ACToR
SCHEMBL82440 SureChEMBL
CB5184349 ChemicalBook
R4K19W6S7Q FDA SRS
135325 ChEBI
1623 DrugCentral
DTXSID3048283 EPA CompTox Dashboard
1987562 eMolecules
CHEMBL86749 ChEMBL
The data in this table is sourced from UniChem at EBI.