Dataset

Gabapentin; LC-ESI-QTOF; MS2; CE: 10.0V; [M-H]-

This MassBank record with Accession MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00345 contains the MS2 mass spectrum of Gabapentin with the InChIkey UGJMXCAKCUNAIE-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
SMILES	C1CCC(CC1)(CC(=O)O)CN
InChI Key	UGJMXCAKCUNAIE-UHFFFAOYSA-N
Molecular Formula	C9H17NO2
Exact Mass	171.126 g/mol

Data and Resources

GabapentinHTML

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Related Molecule ⌄

2-[1-(aminomethyl)cyclohexyl]acetic acid

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00345
Version
Author
Maintainer
Language
MetadataPublished	2015-11-27
Related Molecule	2-[1-(aminomethyl)cyclohexyl]acetic acid

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00996	drugbank
CHEBI:42797	chebi
GBN	rcsb_pdb
CHEMBL940	chembl
8343	surechembl
3446	pubchem
6919078	pubchem
6CW7F3G59X	fdasrs
5483	gtopdb
PD000719	probes_and_drugs
QIMKIG	CCDC
9643	brenda
GBN	pdbe
HMDB0005015	hmdb
DTXSID0020074	comptox
NCT00001482	clinicaltrials
NCT00007670	clinicaltrials
NCT00011297	clinicaltrials
NCT00027963	clinicaltrials
NCT00028574	clinicaltrials
NCT00057278	clinicaltrials
NCT00058890	clinicaltrials
NCT00087399	clinicaltrials
NCT00108550	clinicaltrials
NCT00112138	clinicaltrials
NCT00137735	clinicaltrials
NCT00153283	clinicaltrials
NCT00163046	clinicaltrials
NCT00169013	clinicaltrials
NCT00183196	clinicaltrials
NCT00189072	clinicaltrials
NCT00209872	clinicaltrials
NCT00209885	clinicaltrials
NCT00221338	clinicaltrials
NCT00229125	clinicaltrials
NCT00236223	clinicaltrials
NCT00250744	clinicaltrials
NCT00257270	clinicaltrials
NCT00262639	clinicaltrials
NCT00276081	clinicaltrials
NCT00312260	clinicaltrials
NCT00317850	clinicaltrials
NCT00335933	clinicaltrials
NCT00385671	clinicaltrials
NCT00391716	clinicaltrials
NCT00395044	clinicaltrials
NCT00414466	clinicaltrials
NCT00420771	clinicaltrials
NCT00475904	clinicaltrials
NCT00511953	clinicaltrials
NCT00533455	clinicaltrials
NCT00537940	clinicaltrials
NCT00552526	clinicaltrials
NCT00555776	clinicaltrials
NCT00578552	clinicaltrials
NCT00584779	clinicaltrials
NCT00593463	clinicaltrials
NCT00603473	clinicaltrials
NCT00619983	clinicaltrials
NCT00620555	clinicaltrials
NCT00624455	clinicaltrials
NCT00634543	clinicaltrials
NCT00636636	clinicaltrials
NCT00644748	clinicaltrials
NCT00654953	clinicaltrials
NCT00659100	clinicaltrials
NCT00666575	clinicaltrials
NCT00666770	clinicaltrials
NCT00666796	clinicaltrials
NCT00666939	clinicaltrials
NCT00667108	clinicaltrials
NCT00674752	clinicaltrials
NCT00684112	clinicaltrials
NCT00711529	clinicaltrials
NCT00712439	clinicaltrials
NCT00735124	clinicaltrials
NCT00755417	clinicaltrials
NCT00755508	clinicaltrials
NCT00755508	clinicaltrials
NCT00777023	clinicaltrials
NCT00785772	clinicaltrials
NCT00799149	clinicaltrials
NCT00800527	clinicaltrials
NCT00855738	clinicaltrials
NCT00864058	clinicaltrials
NCT00864305	clinicaltrials
NCT00864760	clinicaltrials
NCT00865059	clinicaltrials
NCT00865423	clinicaltrials
NCT00865631	clinicaltrials
NCT00880191	clinicaltrials
NCT00885586	clinicaltrials
NCT00904202	clinicaltrials
NCT00904202	clinicaltrials
NCT00934193	clinicaltrials
NCT00967707	clinicaltrials
NCT00967707	clinicaltrials
NCT00974376	clinicaltrials
NCT00982800	clinicaltrials
NCT00987779	clinicaltrials
NCT01005108	clinicaltrials
NCT01014520	clinicaltrials
NCT01022736	clinicaltrials
NCT01052844	clinicaltrials
NCT01052896	clinicaltrials
NCT01067144	clinicaltrials
NCT01080300	clinicaltrials
NCT01092520	clinicaltrials
NCT01107574	clinicaltrials
NCT01112878	clinicaltrials
NCT01116583	clinicaltrials
NCT01119222	clinicaltrials
NCT01127100	clinicaltrials
NCT01141049	clinicaltrials
NCT01177514	clinicaltrials
NCT01200641	clinicaltrials
NCT01210079	clinicaltrials
NCT01263132	clinicaltrials
NCT01364298	clinicaltrials
NCT01421264	clinicaltrials
NCT01441531	clinicaltrials
NCT01485185	clinicaltrials
NCT01486706	clinicaltrials
NCT01506453	clinicaltrials
NCT01507363	clinicaltrials
NCT01533753	clinicaltrials
NCT01546857	clinicaltrials
NCT01573052	clinicaltrials
NCT01588314	clinicaltrials
NCT01632215	clinicaltrials
NCT01675960	clinicaltrials
NCT01678911	clinicaltrials
NCT01680549	clinicaltrials
NCT01738893	clinicaltrials
NCT01744444	clinicaltrials
NCT01764464	clinicaltrials
NCT01776671	clinicaltrials
NCT01821235	clinicaltrials
NCT01868425	clinicaltrials
NCT01888497	clinicaltrials
NCT01893632	clinicaltrials
NCT01954927	clinicaltrials
NCT01966172	clinicaltrials
NCT01977937	clinicaltrials
NCT02056899	clinicaltrials
NCT02074267	clinicaltrials
NCT02076893	clinicaltrials
NCT02099006	clinicaltrials
NCT02110719	clinicaltrials
NCT02117076	clinicaltrials
NCT02120703	clinicaltrials
NCT02127853	clinicaltrials
NCT02155257	clinicaltrials
NCT02160301	clinicaltrials
NCT02163434	clinicaltrials
NCT02219373	clinicaltrials
NCT02252926	clinicaltrials
NCT02306278	clinicaltrials
NCT02330094	clinicaltrials
NCT02339662	clinicaltrials
NCT02349477	clinicaltrials
NCT02351934	clinicaltrials
NCT02355886	clinicaltrials
NCT02359110	clinicaltrials
NCT02374567	clinicaltrials
NCT02384187	clinicaltrials
NCT02419443	clinicaltrials
NCT02466191	clinicaltrials
NCT02480114	clinicaltrials
NCT02490345	clinicaltrials
NCT02525848	clinicaltrials
NCT02531906	clinicaltrials
NCT02543944	clinicaltrials
NCT02557945	clinicaltrials
NCT02595190	clinicaltrials
NCT02599701	clinicaltrials
NCT02642484	clinicaltrials
NCT02685735	clinicaltrials
NCT02693821	clinicaltrials
NCT02703259	clinicaltrials
NCT02722603	clinicaltrials
NCT02725710	clinicaltrials
NCT02771925	clinicaltrials
NCT02856750	clinicaltrials
NCT02867176	clinicaltrials
NCT02918760	clinicaltrials
NCT02926573	clinicaltrials
NCT02927405	clinicaltrials
NCT02944656	clinicaltrials
NCT02944981	clinicaltrials
NCT02957097	clinicaltrials
NCT02958566	clinicaltrials
NCT02977208	clinicaltrials
NCT02987920	clinicaltrials
NCT02987985	clinicaltrials
NCT02999724	clinicaltrials
NCT03005483	clinicaltrials
NCT03012815	clinicaltrials
NCT03023501	clinicaltrials
NCT03047278	clinicaltrials
NCT03080493	clinicaltrials
NCT03084536	clinicaltrials
NCT03088306	clinicaltrials
NCT03088306	clinicaltrials
NCT03121963	clinicaltrials
NCT03123861	clinicaltrials
NCT03151746	clinicaltrials
NCT03158376	clinicaltrials
NCT03172234	clinicaltrials
NCT03179345	clinicaltrials
NCT03186443	clinicaltrials
NCT03205423	clinicaltrials
NCT03220776	clinicaltrials
NCT03241875	clinicaltrials
NCT03255330	clinicaltrials
NCT03269344	clinicaltrials
NCT03274167	clinicaltrials
NCT03275012	clinicaltrials
NCT03334721	clinicaltrials
NCT03334903	clinicaltrials
NCT03335436	clinicaltrials
NCT03346668	clinicaltrials
NCT03393702	clinicaltrials
NCT03423264	clinicaltrials
NCT03472469	clinicaltrials
NCT03472521	clinicaltrials
NCT03496389	clinicaltrials
NCT03498261	clinicaltrials
NCT03540030	clinicaltrials
NCT03566394	clinicaltrials
NCT03589898	clinicaltrials
NCT03619785	clinicaltrials
NCT03625011	clinicaltrials
NCT03635905	clinicaltrials
NCT03679013	clinicaltrials
NCT03682367	clinicaltrials
NCT03689114	clinicaltrials
NCT03689114	clinicaltrials
NCT03708237	clinicaltrials
NCT03747562	clinicaltrials
NCT03749642	clinicaltrials
NCT03749642	clinicaltrials
NCT03750773	clinicaltrials
NCT03758079	clinicaltrials
NCT03806530	clinicaltrials
NCT03818919	clinicaltrials
NCT03818932	clinicaltrials
NCT03820193	clinicaltrials
NCT03825809	clinicaltrials
NCT03859024	clinicaltrials
NCT03867240	clinicaltrials
NCT04025203	clinicaltrials
NCT04052139	clinicaltrials
NCT04068506	clinicaltrials
NCT04144933	clinicaltrials
NCT04176419	clinicaltrials
NCT04230980	clinicaltrials
NCT04240626	clinicaltrials
NCT04246697	clinicaltrials
NCT04256603	clinicaltrials
NCT04285281	clinicaltrials
NCT04292171	clinicaltrials
NCT04429022	clinicaltrials
NCT04429347	clinicaltrials
NCT04434430	clinicaltrials
NCT04523935	clinicaltrials
NCT04570436	clinicaltrials
NCT04613024	clinicaltrials
NCT04619862	clinicaltrials
NCT04620720	clinicaltrials
NCT04622618	clinicaltrials
NCT04631510	clinicaltrials
NCT04653415	clinicaltrials
NCT04658732	clinicaltrials
NCT04705480	clinicaltrials
NCT04724252	clinicaltrials
NCT04766229	clinicaltrials
NCT04802967	clinicaltrials
NCT04860141	clinicaltrials
NCT04865042	clinicaltrials
NCT04939987	clinicaltrials
NCT05024825	clinicaltrials
NCT05063656	clinicaltrials
NCT05064319	clinicaltrials
NCT05076110	clinicaltrials
NCT05100160	clinicaltrials
NCT05156060	clinicaltrials
NCT05172570	clinicaltrials
NCT05184192	clinicaltrials
NCT05296759	clinicaltrials
NCT05301205	clinicaltrials
NCT05302999	clinicaltrials
NCT05319756	clinicaltrials
NCT05319756	clinicaltrials
NCT05319756	clinicaltrials
NCT05324761	clinicaltrials
NCT05413902	clinicaltrials
NCT05427474	clinicaltrials
NCT05443555	clinicaltrials
NCT05494385	clinicaltrials
NCT05494437	clinicaltrials
NCT05510856	clinicaltrials
NCT05533684	clinicaltrials
NCT05539924	clinicaltrials
NCT05609682	clinicaltrials
NCT05620641	clinicaltrials
NCT05626998	clinicaltrials
NCT05658874	clinicaltrials
NCT05658887	clinicaltrials
NCT05659810	clinicaltrials
NCT05664464	clinicaltrials
NCT05690282	clinicaltrials
NCT05750875	clinicaltrials
NCT05800847	clinicaltrials
NCT05827159	clinicaltrials
NCT05875610	clinicaltrials
NCT05921604	clinicaltrials
NCT05965492	clinicaltrials
NCT06091553	clinicaltrials
NCT06212830	clinicaltrials
NCT06254183	clinicaltrials
NCT06346522	clinicaltrials
NCT06379425	clinicaltrials
NCT06466421	clinicaltrials
Molport-000-883-862	molport
1264	drugcentral
50080153	bindingdb
The data in this table is sourced from UniChem at EBI.