Molecule

(3S)-3-(aminomethyl)-5-methylhexanoic acid

Chemical Information

31 Related Dataset(s) ⌄

Pregabalin; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+

Pregabalin; LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-

Pregabalin; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+

Pregabalin; LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-

Pregabalin; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+

Pregabalin; LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-

Pregabalin; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+

Pregabalin; LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-

Pregabalin; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+

Pregabalin; LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-

Pregabalin; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+

Pregabalin; LC-ESI-QTOF; MS2; 10 V

Pregabalin; LC-ESI-QTOF; MS2; 20 V

Pregabalin; LC-ESI-QTOF; MS2; 30 V

Pregabalin; LC-ESI-QTOF; MS2; 40 V

Pregabalin; LC-ESI-QTOF; MS2; 40 V

Pregabalin; LC-ESI-QTOF; MS2; 40 V

Pregabalin; LC-ESI-QTOF; MS2; 50 V

Pregabalin; LC-ESI-QTOF; MS2; 60 V

Pregabalin; LC-ESI-QTOF; MS2; 70 V

Pregabalin; LC-ESI-QTOF; MS2; 80 V

Pregabalin; LC-ESI-QTOF; MS2; 90 V

Pregabalin; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

Pregabalin; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+Na]+

Pregabalin; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

Pregabalin; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

Pregabalin; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+

Pregabalin; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+

Pregabalin; LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+

Pregabalin; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+

Pregabalin; LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol34918
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DB00230	drugbank
CHEBI:64356	chebi
CHEMBL1059	chembl
8227	surechembl
25271887	pubchem
55JG375S6M	fdasrs
PD000713	probes_and_drugs
CIDDEZ	CCDC
HMDB0014375	hmdb
2255	drugcentral
50164279	bindingdb
The data in this table is sourced from UniChem at EBI.