Dataset

Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-

This MassBank record with Accession MSBNK-MSSJ-MSJ01881 contains the MS2 mass spectrum of Ibuprofen with the InChIkey HEFNNWSXXWATRW-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
InChI Key	HEFNNWSXXWATRW-UHFFFAOYSA-N
Molecular Formula	C13H18O2
Exact Mass	206.131 g/mol

Data and Resources

IbuprofenHTML

Go to source

Related Molecule ⌄

2-[4-(2-methylpropyl)phenyl]propanoic acid

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ01881
Version
Author
Maintainer
Language
MetadataPublished	2023-03-28
Related Molecule	2-[4-(2-methylpropyl)phenyl]propanoic acid

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB01050	drugbank
CHEBI:5855	chebi
CHEMBL521	chembl
3001	surechembl
3672	pubchem
WK2XYI10QM	fdasrs
2713	gtopdb
PD002295	probes_and_drugs
IBPRAC	CCDC
111728	brenda
1645	brenda
29348	brenda
37328	brenda
HMDB0001925	hmdb
80003571	nmrshiftdb2
DTXSID5020732	comptox
NCT00000574	clinicaltrials
NCT00046358	clinicaltrials
NCT00092755	clinicaltrials
NCT00111046	clinicaltrials
NCT00115336	clinicaltrials
NCT00121563	clinicaltrials
NCT00145730	clinicaltrials
NCT00147355	clinicaltrials
NCT00147355	clinicaltrials
NCT00150280	clinicaltrials
NCT00167713	clinicaltrials
NCT00217191	clinicaltrials
NCT00219700	clinicaltrials
NCT00223691	clinicaltrials
NCT00225706	clinicaltrials
NCT00225732	clinicaltrials
NCT00239746	clinicaltrials
NCT00240812	clinicaltrials
NCT00240825	clinicaltrials
NCT00240864	clinicaltrials
NCT00243815	clinicaltrials
NCT00261586	clinicaltrials
NCT00267293	clinicaltrials
NCT00269191	clinicaltrials
NCT00292747	clinicaltrials
NCT00292747	clinicaltrials
NCT00299039	clinicaltrials
NCT00317655	clinicaltrials
NCT00346216	clinicaltrials
NCT00372801	clinicaltrials
NCT00382083	clinicaltrials
NCT00411190	clinicaltrials
NCT00442585	clinicaltrials
NCT00450216	clinicaltrials
NCT00450658	clinicaltrials
NCT00470600	clinicaltrials
NCT00470743	clinicaltrials
NCT00484744	clinicaltrials
NCT00485160	clinicaltrials
NCT00528658	clinicaltrials
NCT00528658	clinicaltrials
NCT00565084	clinicaltrials
NCT00565500	clinicaltrials
NCT00568217	clinicaltrials
NCT00606489	clinicaltrials
NCT00613106	clinicaltrials
NCT00619307	clinicaltrials
NCT00620867	clinicaltrials
NCT00630929	clinicaltrials
NCT00631111	clinicaltrials
NCT00631514	clinicaltrials
NCT00640809	clinicaltrials
NCT00642330	clinicaltrials
NCT00644319	clinicaltrials
NCT00662896	clinicaltrials
NCT00694369	clinicaltrials
NCT00699114	clinicaltrials
NCT00699114	clinicaltrials
NCT00699114	clinicaltrials
NCT00707057	clinicaltrials
NCT00729976	clinicaltrials
NCT00740857	clinicaltrials
NCT00758836	clinicaltrials
NCT00790270	clinicaltrials
NCT00790270	clinicaltrials
NCT00792818	clinicaltrials
NCT00803946	clinicaltrials
NCT00804440	clinicaltrials
NCT00812422	clinicaltrials
NCT00820027	clinicaltrials
NCT00833157	clinicaltrials
NCT00855777	clinicaltrials
NCT00864357	clinicaltrials
NCT00864357	clinicaltrials
NCT00864526	clinicaltrials
NCT00864526	clinicaltrials
NCT00880373	clinicaltrials
NCT00913627	clinicaltrials
NCT00921505	clinicaltrials
NCT00921700	clinicaltrials
NCT00921700	clinicaltrials
NCT00921830	clinicaltrials
NCT00938509	clinicaltrials
NCT00945763	clinicaltrials
NCT00954200	clinicaltrials
NCT00961753	clinicaltrials
NCT00962663	clinicaltrials
NCT00986882	clinicaltrials
NCT00993863	clinicaltrials
NCT00997074	clinicaltrials
NCT01002573	clinicaltrials
NCT01028079	clinicaltrials
NCT01030666	clinicaltrials
NCT01035346	clinicaltrials
NCT01053208	clinicaltrials
NCT01053338	clinicaltrials
NCT01055249	clinicaltrials
NCT01064726	clinicaltrials
NCT01066676	clinicaltrials
NCT01070745	clinicaltrials
NCT01077973	clinicaltrials
NCT01097902	clinicaltrials
NCT01098747	clinicaltrials
NCT01104844	clinicaltrials
NCT01118273	clinicaltrials
NCT01131000	clinicaltrials
NCT01131780	clinicaltrials
NCT01132222	clinicaltrials
NCT01149564	clinicaltrials
NCT01149941	clinicaltrials
NCT01149954	clinicaltrials
NCT01170637	clinicaltrials
NCT01171794	clinicaltrials
NCT01172405	clinicaltrials
NCT01172405	clinicaltrials
NCT01188317	clinicaltrials
NCT01189773	clinicaltrials
NCT01200069	clinicaltrials
NCT01216163	clinicaltrials
NCT01229449	clinicaltrials
NCT01229449	clinicaltrials
NCT01230411	clinicaltrials
NCT01235949	clinicaltrials
NCT01238120	clinicaltrials
NCT01243996	clinicaltrials
NCT01266161	clinicaltrials
NCT01293968	clinicaltrials
NCT01297829	clinicaltrials
NCT01307020	clinicaltrials
NCT01316978	clinicaltrials
NCT01330459	clinicaltrials
NCT01332253	clinicaltrials
NCT01334944	clinicaltrials
NCT01334957	clinicaltrials
NCT01350596	clinicaltrials
NCT01359020	clinicaltrials
NCT01362491	clinicaltrials
NCT01373697	clinicaltrials
NCT01377441	clinicaltrials
NCT01392378	clinicaltrials
NCT01420653	clinicaltrials
NCT01420666	clinicaltrials
NCT01426971	clinicaltrials
NCT01429935	clinicaltrials
NCT01457521	clinicaltrials
NCT01462370	clinicaltrials
NCT01464983	clinicaltrials
NCT01466517	clinicaltrials
NCT01478022	clinicaltrials
NCT01478022	clinicaltrials
NCT01488955	clinicaltrials
NCT01490905	clinicaltrials
NCT01496326	clinicaltrials
NCT01512160	clinicaltrials
NCT01514175	clinicaltrials
NCT01529346	clinicaltrials
NCT01530880	clinicaltrials
NCT01535079	clinicaltrials
NCT01536158	clinicaltrials
NCT01544972	clinicaltrials
NCT01555476	clinicaltrials
NCT01559259	clinicaltrials
NCT01559259	clinicaltrials
NCT01562717	clinicaltrials
NCT01563185	clinicaltrials
NCT01563289	clinicaltrials
NCT01567072	clinicaltrials
NCT01593163	clinicaltrials
NCT01605903	clinicaltrials
NCT01606319	clinicaltrials
NCT01606527	clinicaltrials
NCT01630278	clinicaltrials
NCT01650519	clinicaltrials
NCT01670656	clinicaltrials
NCT01680939	clinicaltrials
NCT01681667	clinicaltrials
NCT01686802	clinicaltrials
NCT01707251	clinicaltrials
NCT01731067	clinicaltrials
NCT01755702	clinicaltrials
NCT01755728	clinicaltrials
NCT01756209	clinicaltrials
NCT01771822	clinicaltrials
NCT01773005	clinicaltrials
NCT01785108	clinicaltrials
NCT01785862	clinicaltrials
NCT01789606	clinicaltrials
NCT01822665	clinicaltrials
NCT01827475	clinicaltrials
NCT01827475	clinicaltrials
NCT01830881	clinicaltrials
NCT01842633	clinicaltrials
NCT01849926	clinicaltrials
NCT01859377	clinicaltrials
NCT01860833	clinicaltrials
NCT01874626	clinicaltrials
NCT01879371	clinicaltrials
NCT01879371	clinicaltrials
NCT01891084	clinicaltrials
NCT01900795	clinicaltrials
NCT01901393	clinicaltrials
NCT01929031	clinicaltrials
NCT01929031	clinicaltrials
NCT01932554	clinicaltrials
NCT01938040	clinicaltrials
NCT01938144	clinicaltrials
NCT01953978	clinicaltrials
NCT01958320	clinicaltrials
NCT01966172	clinicaltrials
NCT01972906	clinicaltrials
NCT01973010	clinicaltrials
NCT01974609	clinicaltrials
NCT01986660	clinicaltrials
NCT01988298	clinicaltrials
NCT02006576	clinicaltrials
NCT02007434	clinicaltrials
NCT02029235	clinicaltrials
NCT02050958	clinicaltrials
NCT02056223	clinicaltrials
NCT02076321	clinicaltrials
NCT02076893	clinicaltrials
NCT02079298	clinicaltrials
NCT02079298	clinicaltrials
NCT02086097	clinicaltrials
NCT02096913	clinicaltrials
NCT02096926	clinicaltrials
NCT02110719	clinicaltrials
NCT02128191	clinicaltrials
NCT02133326	clinicaltrials
NCT02141139	clinicaltrials
NCT02152163	clinicaltrials
NCT02153177	clinicaltrials
NCT02182960	clinicaltrials
NCT02183012	clinicaltrials
NCT02183051	clinicaltrials
NCT02183051	clinicaltrials
NCT02187588	clinicaltrials
NCT02205489	clinicaltrials
NCT02212990	clinicaltrials
NCT02227316	clinicaltrials
NCT02233582	clinicaltrials
NCT02241512	clinicaltrials
NCT02244437	clinicaltrials
NCT02254525	clinicaltrials
NCT02256423	clinicaltrials
NCT02260947	clinicaltrials
NCT02272725	clinicaltrials
NCT02276911	clinicaltrials
NCT02294019	clinicaltrials
NCT02294071	clinicaltrials
NCT02296840	clinicaltrials
NCT02320708	clinicaltrials
NCT02324985	clinicaltrials
NCT02327338	clinicaltrials
NCT02330926	clinicaltrials
NCT02344225	clinicaltrials
NCT02349607	clinicaltrials
NCT02351700	clinicaltrials
NCT02373254	clinicaltrials
NCT02417337	clinicaltrials
NCT02422966	clinicaltrials
NCT02432456	clinicaltrials
NCT02441530	clinicaltrials
NCT02443142	clinicaltrials
NCT02452450	clinicaltrials
NCT02455518	clinicaltrials
NCT02463383	clinicaltrials
NCT02476422	clinicaltrials
NCT02477007	clinicaltrials
NCT02479165	clinicaltrials
NCT02480114	clinicaltrials
NCT02482155	clinicaltrials
NCT02507219	clinicaltrials
NCT02519023	clinicaltrials
NCT02521207	clinicaltrials
NCT02521415	clinicaltrials
NCT02531451	clinicaltrials
NCT02538237	clinicaltrials
NCT02571361	clinicaltrials
NCT02571361	clinicaltrials
NCT02571543	clinicaltrials
NCT02580344	clinicaltrials
NCT02583399	clinicaltrials
NCT02593721	clinicaltrials
NCT02602483	clinicaltrials
NCT02629354	clinicaltrials
NCT02647788	clinicaltrials
NCT02651311	clinicaltrials
NCT02666846	clinicaltrials
NCT02668783	clinicaltrials
NCT02668822	clinicaltrials
NCT02686021	clinicaltrials
NCT02689024	clinicaltrials
NCT02689063	clinicaltrials
NCT02703610	clinicaltrials
NCT02735122	clinicaltrials
NCT02761980	clinicaltrials
NCT02763059	clinicaltrials
NCT02777320	clinicaltrials
NCT02778958	clinicaltrials
NCT02781909	clinicaltrials
NCT02785549	clinicaltrials
NCT02815189	clinicaltrials
NCT02836509	clinicaltrials
NCT02839785	clinicaltrials
NCT02850211	clinicaltrials
NCT02863575	clinicaltrials
NCT02863575	clinicaltrials
NCT02891174	clinicaltrials
NCT02902289	clinicaltrials
NCT02902302	clinicaltrials
NCT02904304	clinicaltrials
NCT02911701	clinicaltrials
NCT02912650	clinicaltrials
NCT02929589	clinicaltrials
NCT02929589	clinicaltrials
NCT02932579	clinicaltrials
NCT02963701	clinicaltrials
NCT02973958	clinicaltrials
NCT02974361	clinicaltrials
NCT02985177	clinicaltrials
NCT03003000	clinicaltrials
NCT03016650	clinicaltrials
NCT03018015	clinicaltrials
NCT03022253	clinicaltrials
NCT03052816	clinicaltrials
NCT03055247	clinicaltrials
NCT03055507	clinicaltrials
NCT03060434	clinicaltrials
NCT03063658	clinicaltrials
NCT03068260	clinicaltrials
NCT03068897	clinicaltrials
NCT03080493	clinicaltrials
NCT03088800	clinicaltrials
NCT03103022	clinicaltrials
NCT03111186	clinicaltrials
NCT03154645	clinicaltrials
NCT03169127	clinicaltrials
NCT03173456	clinicaltrials
NCT03173456	clinicaltrials
NCT03180879	clinicaltrials
NCT03184649	clinicaltrials
NCT03184766	clinicaltrials
NCT03184766	clinicaltrials
NCT03186638	clinicaltrials
NCT03223519	clinicaltrials
NCT03224403	clinicaltrials
NCT03225352	clinicaltrials
NCT03228992	clinicaltrials
NCT03241030	clinicaltrials
NCT03243032	clinicaltrials
NCT03265782	clinicaltrials
NCT03332524	clinicaltrials
NCT03332524	clinicaltrials
NCT03372382	clinicaltrials
NCT03375593	clinicaltrials
NCT03385057	clinicaltrials
NCT03399318	clinicaltrials
NCT03404518	clinicaltrials
NCT03418805	clinicaltrials
NCT03429738	clinicaltrials
NCT03441269	clinicaltrials
NCT03457116	clinicaltrials
NCT03497715	clinicaltrials
NCT03497715	clinicaltrials
NCT03509675	clinicaltrials
NCT03523988	clinicaltrials
NCT03545893	clinicaltrials
NCT03554018	clinicaltrials
NCT03561558	clinicaltrials
NCT03568721	clinicaltrials
NCT03571737	clinicaltrials
NCT03584152	clinicaltrials
NCT03588910	clinicaltrials
NCT03618823	clinicaltrials
NCT03619785	clinicaltrials
NCT03622489	clinicaltrials
NCT03631433	clinicaltrials
NCT03648437	clinicaltrials
NCT03692416	clinicaltrials
NCT03695367	clinicaltrials
NCT03701074	clinicaltrials
NCT03722238	clinicaltrials
NCT03749616	clinicaltrials
NCT03759028	clinicaltrials
NCT03767933	clinicaltrials
NCT03783702	clinicaltrials
NCT03785756	clinicaltrials
NCT03786029	clinicaltrials
NCT03789058	clinicaltrials
NCT03792295	clinicaltrials
NCT03822962	clinicaltrials
NCT03824119	clinicaltrials
NCT03858231	clinicaltrials
NCT03859024	clinicaltrials
NCT03861611	clinicaltrials
NCT03865147	clinicaltrials
NCT03893175	clinicaltrials
NCT03907176	clinicaltrials
NCT03918135	clinicaltrials
NCT03929640	clinicaltrials
NCT03949478	clinicaltrials
NCT03952650	clinicaltrials
NCT03953729	clinicaltrials
NCT03955211	clinicaltrials
NCT03974932	clinicaltrials
NCT03978767	clinicaltrials
NCT03987022	clinicaltrials
NCT04026464	clinicaltrials
NCT04037514	clinicaltrials
NCT04059172	clinicaltrials
NCT04102566	clinicaltrials
NCT04111315	clinicaltrials
NCT04115904	clinicaltrials
NCT04119739	clinicaltrials
NCT04123717	clinicaltrials
NCT04123873	clinicaltrials
NCT04129437	clinicaltrials
NCT04133623	clinicaltrials
NCT04157036	clinicaltrials
NCT04271917	clinicaltrials
NCT04282941	clinicaltrials
NCT04328805	clinicaltrials
NCT04334629	clinicaltrials
NCT04358497	clinicaltrials
NCT04372264	clinicaltrials
NCT04414995	clinicaltrials
NCT04423107	clinicaltrials
NCT04485403	clinicaltrials
NCT04533568	clinicaltrials
NCT04551196	clinicaltrials
NCT04551196	clinicaltrials
NCT04570644	clinicaltrials
NCT04609254	clinicaltrials
NCT04611529	clinicaltrials
NCT04612920	clinicaltrials
NCT04630834	clinicaltrials
NCT04637529	clinicaltrials
NCT04646967	clinicaltrials
NCT04681105	clinicaltrials
NCT04730297	clinicaltrials
NCT04772781	clinicaltrials
NCT04791761	clinicaltrials
NCT04813991	clinicaltrials
NCT04879823	clinicaltrials
NCT04905563	clinicaltrials
NCT04907864	clinicaltrials
NCT04941443	clinicaltrials
NCT04947566	clinicaltrials
NCT04964622	clinicaltrials
NCT04976387	clinicaltrials
NCT04986839	clinicaltrials
NCT04990388	clinicaltrials
NCT05000281	clinicaltrials
NCT05011149	clinicaltrials
NCT05013567	clinicaltrials
NCT05024825	clinicaltrials
NCT05076110	clinicaltrials
NCT05081102	clinicaltrials
NCT05109312	clinicaltrials
NCT05190341	clinicaltrials
NCT05318521	clinicaltrials
NCT05325177	clinicaltrials
NCT05329454	clinicaltrials
NCT05341999	clinicaltrials
NCT05349929	clinicaltrials
NCT05374057	clinicaltrials
NCT05428293	clinicaltrials
NCT05428293	clinicaltrials
NCT05428306	clinicaltrials
NCT05479747	clinicaltrials
NCT05484401	clinicaltrials
NCT05488847	clinicaltrials
NCT05493540	clinicaltrials
NCT05512013	clinicaltrials
NCT05512754	clinicaltrials
NCT05544734	clinicaltrials
NCT05575700	clinicaltrials
NCT05586373	clinicaltrials
NCT05602064	clinicaltrials
NCT05629494	clinicaltrials
NCT05630222	clinicaltrials
NCT05632133	clinicaltrials
NCT05640674	clinicaltrials
NCT05690282	clinicaltrials
NCT05695664	clinicaltrials
NCT05721027	clinicaltrials
NCT05729555	clinicaltrials
NCT05729555	clinicaltrials
NCT05742763	clinicaltrials
NCT05750264	clinicaltrials
NCT05763836	clinicaltrials
NCT05819619	clinicaltrials
NCT05819619	clinicaltrials
NCT05834569	clinicaltrials
NCT05842044	clinicaltrials
NCT05907993	clinicaltrials
NCT05919745	clinicaltrials
NCT05927922	clinicaltrials
NCT05941130	clinicaltrials
NCT05941130	clinicaltrials
NCT05971186	clinicaltrials
NCT05974423	clinicaltrials
NCT05974423	clinicaltrials
NCT06006663	clinicaltrials
NCT06046105	clinicaltrials
NCT06060236	clinicaltrials
NCT06061575	clinicaltrials
NCT06064175	clinicaltrials
NCT06077786	clinicaltrials
NCT06088732	clinicaltrials
NCT06109415	clinicaltrials
NCT06109428	clinicaltrials
NCT06149507	clinicaltrials
NCT06152796	clinicaltrials
NCT06180070	clinicaltrials
NCT06187584	clinicaltrials
NCT06214273	clinicaltrials
NCT06231212	clinicaltrials
NCT06232785	clinicaltrials
NCT06247462	clinicaltrials
NCT06317064	clinicaltrials
NCT06342830	clinicaltrials
NCT06398054	clinicaltrials
NCT06478758	clinicaltrials
NCT06479122	clinicaltrials
NCT06484439	clinicaltrials
Molport-001-791-802	molport
1407	drugcentral
50009859	bindingdb
The data in this table is sourced from UniChem at EBI.