Dataset

Rifampin; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA002029 contains the MS mass spectrum of Rifampin with the InChIkey JQXXHWHPUNPDRT-WLSIYKJHSA-N.

Chemical Information

InChI	InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
SMILES	Oc(c21)c(C=NN(C5)CCN(C)C5)c(N4)c(O)c1c(O)c(C)c(O3)c2C(=O)C(C)3OC=CC(C(C(C(C)C(C(C(O)C(C=CC=C(C)C4=O)C)C)O)OC(C)=O)C)OC
InChI Key	JQXXHWHPUNPDRT-WLSIYKJHSA-N
Molecular Formula	C43H58N4O12
Exact Mass	822.405 g/mol

Data and Resources

RifampinHTML

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Related Molecule ⌄

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002029
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB01045	drugbank
CHEBI:28077	chebi
CHEBI:71365	chebi
CHEMBL374478	chembl
22517710	surechembl
23490	surechembl
29400640	surechembl
135398735	pubchem
136262914	pubchem
VJT6J7R4TR	fdasrs
PD009580	probes_and_drugs
PD013921	probes_and_drugs
LOPZEX	CCDC
DTXSID6021244	comptox
NCT00000641	clinicaltrials
NCT00001033	clinicaltrials
NCT00004689	clinicaltrials
NCT00042289	clinicaltrials
NCT00043264	clinicaltrials
NCT00057122	clinicaltrials
NCT00127504	clinicaltrials
NCT00128206	clinicaltrials
NCT00130247	clinicaltrials
NCT00140309	clinicaltrials
NCT00170209	clinicaltrials
NCT00182429	clinicaltrials
NCT00207090	clinicaltrials
NCT00304811	clinicaltrials
NCT00317330	clinicaltrials
NCT00351273	clinicaltrials
NCT00351273	clinicaltrials
NCT00367913	clinicaltrials
NCT00367913	clinicaltrials
NCT00376012	clinicaltrials
NCT00384280	clinicaltrials
NCT00397709	clinicaltrials
NCT00402454	clinicaltrials
NCT00402610	clinicaltrials
NCT00405080	clinicaltrials
NCT00405301	clinicaltrials
NCT00419172	clinicaltrials
NCT00423982	clinicaltrials
NCT00439166	clinicaltrials
NCT00439166	clinicaltrials
NCT00495326	clinicaltrials
NCT00534807	clinicaltrials
NCT00585195	clinicaltrials
NCT00598962	clinicaltrials
NCT00608907	clinicaltrials
NCT00620438	clinicaltrials
NCT00621309	clinicaltrials
NCT00621309	clinicaltrials
NCT00669643	clinicaltrials
NCT00669643	clinicaltrials
NCT00669643	clinicaltrials
NCT00669643	clinicaltrials
NCT00694629	clinicaltrials
NCT00696566	clinicaltrials
NCT00698334	clinicaltrials
NCT00711854	clinicaltrials
NCT00715858	clinicaltrials
NCT00728507	clinicaltrials
NCT00741169	clinicaltrials
NCT00741169	clinicaltrials
NCT00760149	clinicaltrials
NCT00767975	clinicaltrials
NCT00776516	clinicaltrials
NCT00802802	clinicaltrials
NCT00814671	clinicaltrials
NCT00816426	clinicaltrials
NCT00864383	clinicaltrials
NCT00877591	clinicaltrials
NCT00906048	clinicaltrials
NCT00931736	clinicaltrials
NCT00933790	clinicaltrials
NCT00935363	clinicaltrials
NCT00935363	clinicaltrials
NCT00938262	clinicaltrials
NCT00964106	clinicaltrials
NCT00985270	clinicaltrials
NCT01002079	clinicaltrials
NCT01018368	clinicaltrials
NCT01026415	clinicaltrials
NCT01026714	clinicaltrials
NCT01043575	clinicaltrials
NCT01068756	clinicaltrials
NCT01121133	clinicaltrials
NCT01147055	clinicaltrials
NCT01154959	clinicaltrials
NCT01162486	clinicaltrials
NCT01169038	clinicaltrials
NCT01218217	clinicaltrials
NCT01218620	clinicaltrials
NCT01231542	clinicaltrials
NCT01251835	clinicaltrials
NCT01287221	clinicaltrials
NCT01293422	clinicaltrials
NCT01297855	clinicaltrials
NCT01311505	clinicaltrials
NCT01323465	clinicaltrials
NCT01324323	clinicaltrials
NCT01336218	clinicaltrials
NCT01341184	clinicaltrials
NCT01349192	clinicaltrials
NCT01386593	clinicaltrials
NCT01392911	clinicaltrials
NCT01395927	clinicaltrials
NCT01396265	clinicaltrials
NCT01398618	clinicaltrials
NCT01401933	clinicaltrials
NCT01406002	clinicaltrials
NCT01408914	clinicaltrials
NCT01424826	clinicaltrials
NCT01426906	clinicaltrials
NCT01441206	clinicaltrials
NCT01454076	clinicaltrials
NCT01516203	clinicaltrials
NCT01533870	clinicaltrials
NCT01561963	clinicaltrials
NCT01571414	clinicaltrials
NCT01577862	clinicaltrials
NCT01589497	clinicaltrials
NCT01591850	clinicaltrials
NCT01594827	clinicaltrials
NCT01601626	clinicaltrials
NCT01634100	clinicaltrials
NCT01637636	clinicaltrials
NCT01655147	clinicaltrials
NCT01679639	clinicaltrials
NCT01690104	clinicaltrials
NCT01728363	clinicaltrials
NCT01756924	clinicaltrials
NCT01757236	clinicaltrials
NCT01760642	clinicaltrials
NCT01763021	clinicaltrials
NCT01765543	clinicaltrials
NCT01768663	clinicaltrials
NCT01770392	clinicaltrials
NCT01782950	clinicaltrials
NCT01785186	clinicaltrials
NCT01802502	clinicaltrials
NCT01814709	clinicaltrials
NCT01844583	clinicaltrials
NCT01854489	clinicaltrials
NCT01908582	clinicaltrials
NCT01910311	clinicaltrials
NCT01929603	clinicaltrials
NCT01932268	clinicaltrials
NCT01940510	clinicaltrials
NCT01947777	clinicaltrials
NCT01950364	clinicaltrials
NCT01953731	clinicaltrials
NCT01954043	clinicaltrials
NCT01969682	clinicaltrials
NCT02019875	clinicaltrials
NCT02024555	clinicaltrials
NCT02046850	clinicaltrials
NCT02055703	clinicaltrials
NCT02085967	clinicaltrials
NCT02097953	clinicaltrials
NCT02099240	clinicaltrials
NCT02106767	clinicaltrials
NCT02123628	clinicaltrials
NCT02138799	clinicaltrials
NCT02169882	clinicaltrials
NCT02173717	clinicaltrials
NCT02174250	clinicaltrials
NCT02183584	clinicaltrials
NCT02193776	clinicaltrials
NCT02197247	clinicaltrials
NCT02197247	clinicaltrials
NCT02216331	clinicaltrials
NCT02253420	clinicaltrials
NCT02256267	clinicaltrials
NCT02256696	clinicaltrials
NCT02275962	clinicaltrials
NCT02279875	clinicaltrials
NCT02286635	clinicaltrials
NCT02328443	clinicaltrials
NCT02329405	clinicaltrials
NCT02342886	clinicaltrials
NCT02381470	clinicaltrials
NCT02387242	clinicaltrials
NCT02393586	clinicaltrials
NCT02409004	clinicaltrials
NCT02430545	clinicaltrials
NCT02440841	clinicaltrials
NCT02457208	clinicaltrials
NCT02477852	clinicaltrials
NCT02500667	clinicaltrials
NCT02507167	clinicaltrials
NCT02547116	clinicaltrials
NCT02563327	clinicaltrials
NCT02576366	clinicaltrials
NCT02581527	clinicaltrials
NCT02599493	clinicaltrials
NCT02602509	clinicaltrials
NCT02608034	clinicaltrials
NCT02661893	clinicaltrials
NCT02701608	clinicaltrials
NCT02706535	clinicaltrials
NCT02729467	clinicaltrials
NCT02770222	clinicaltrials
NCT02804399	clinicaltrials
NCT02807116	clinicaltrials
NCT02809768	clinicaltrials
NCT02820935	clinicaltrials
NCT02821832	clinicaltrials
NCT02836821	clinicaltrials
NCT02846519	clinicaltrials
NCT02875223	clinicaltrials
NCT02901288	clinicaltrials
NCT02953847	clinicaltrials
NCT02957448	clinicaltrials
NCT02958709	clinicaltrials
NCT02958709	clinicaltrials
NCT02959060	clinicaltrials
NCT02975440	clinicaltrials
NCT03002493	clinicaltrials
NCT03012529	clinicaltrials
NCT03048110	clinicaltrials
NCT03063580	clinicaltrials
NCT03077607	clinicaltrials
NCT03082183	clinicaltrials
NCT03116893	clinicaltrials
NCT03151499	clinicaltrials
NCT03174184	clinicaltrials
NCT03186482	clinicaltrials
NCT03199690	clinicaltrials
NCT03213145	clinicaltrials
NCT03236987	clinicaltrials
NCT03278483	clinicaltrials
NCT03281226	clinicaltrials
NCT03296800	clinicaltrials
NCT03301038	clinicaltrials
NCT03301181	clinicaltrials
NCT03307252	clinicaltrials
NCT03311841	clinicaltrials
NCT03326050	clinicaltrials
NCT03340662	clinicaltrials
NCT03346837	clinicaltrials
NCT03353857	clinicaltrials
NCT03384121	clinicaltrials
NCT03474029	clinicaltrials
NCT03474029	clinicaltrials
NCT03474198	clinicaltrials
NCT03486314	clinicaltrials
NCT03530995	clinicaltrials
NCT03563950	clinicaltrials
NCT03586726	clinicaltrials
NCT03596294	clinicaltrials
NCT03624959	clinicaltrials
NCT03637790	clinicaltrials
NCT03662022	clinicaltrials
NCT03672630	clinicaltrials
NCT03709355	clinicaltrials
NCT03712540	clinicaltrials
NCT03723395	clinicaltrials
NCT03755778	clinicaltrials
NCT03758469	clinicaltrials
NCT03782662	clinicaltrials
NCT03801746	clinicaltrials
NCT03814200	clinicaltrials
NCT03892161	clinicaltrials
NCT03927313	clinicaltrials
NCT03928327	clinicaltrials
NCT03982277	clinicaltrials
NCT03983239	clinicaltrials
NCT03988933	clinicaltrials
NCT03991312	clinicaltrials
NCT03994211	clinicaltrials
NCT04011124	clinicaltrials
NCT04029584	clinicaltrials
NCT04060719	clinicaltrials
NCT04070495	clinicaltrials
NCT04118842	clinicaltrials
NCT04121078	clinicaltrials
NCT04135833	clinicaltrials
NCT04142762	clinicaltrials
NCT04166669	clinicaltrials
NCT04171739	clinicaltrials
NCT04266509	clinicaltrials
NCT04268394	clinicaltrials
NCT04290390	clinicaltrials
NCT04301310	clinicaltrials
NCT04311502	clinicaltrials
NCT04312282	clinicaltrials
NCT04410094	clinicaltrials
NCT04424264	clinicaltrials
NCT04424264	clinicaltrials
NCT04437836	clinicaltrials
NCT04439578	clinicaltrials
NCT04463680	clinicaltrials
NCT04485156	clinicaltrials
NCT04485156	clinicaltrials
NCT04493931	clinicaltrials
NCT04494659	clinicaltrials
NCT04504851	clinicaltrials
NCT04521803	clinicaltrials
NCT04525235	clinicaltrials
NCT04532918	clinicaltrials
NCT04537715	clinicaltrials
NCT04557397	clinicaltrials
NCT04558216	clinicaltrials
NCT04565574	clinicaltrials
NCT04577885	clinicaltrials
NCT04606537	clinicaltrials
NCT04630145	clinicaltrials
NCT04649723	clinicaltrials
NCT04672525	clinicaltrials
NCT04694586	clinicaltrials
NCT04768231	clinicaltrials
NCT04808648	clinicaltrials
NCT04830462	clinicaltrials
NCT04843449	clinicaltrials
NCT04907019	clinicaltrials
NCT04914936	clinicaltrials
NCT04921943	clinicaltrials
NCT04930744	clinicaltrials
NCT04933682	clinicaltrials
NCT04951713	clinicaltrials
NCT04951986	clinicaltrials
NCT04959266	clinicaltrials
NCT05021731	clinicaltrials
NCT05021731	clinicaltrials
NCT05057949	clinicaltrials
NCT05069688	clinicaltrials
NCT05069870	clinicaltrials
NCT05098041	clinicaltrials
NCT05134337	clinicaltrials
NCT05156437	clinicaltrials
NCT05169554	clinicaltrials
NCT05255276	clinicaltrials
NCT05316857	clinicaltrials
NCT05338489	clinicaltrials
NCT05357820	clinicaltrials
NCT05359055	clinicaltrials
NCT05372367	clinicaltrials
NCT05383742	clinicaltrials
NCT05383742	clinicaltrials
NCT05388448	clinicaltrials
NCT05389722	clinicaltrials
NCT05398679	clinicaltrials
NCT05398679	clinicaltrials
NCT05431673	clinicaltrials
NCT05443178	clinicaltrials
NCT05454345	clinicaltrials
NCT05497674	clinicaltrials
NCT05556746	clinicaltrials
NCT05575297	clinicaltrials
NCT05577624	clinicaltrials
NCT05586568	clinicaltrials
NCT05592223	clinicaltrials
NCT05597280	clinicaltrials
NCT05597280	clinicaltrials
NCT05602597	clinicaltrials
NCT05631678	clinicaltrials
NCT05635110	clinicaltrials
NCT05665647	clinicaltrials
NCT05685719	clinicaltrials
NCT05720767	clinicaltrials
NCT05766267	clinicaltrials
NCT05807399	clinicaltrials
NCT05826574	clinicaltrials
NCT05896930	clinicaltrials
NCT05899829	clinicaltrials
NCT05902221	clinicaltrials
NCT05902728	clinicaltrials
NCT05917340	clinicaltrials
NCT05917340	clinicaltrials
NCT05971602	clinicaltrials
NCT05991401	clinicaltrials
NCT05994742	clinicaltrials
NCT06004947	clinicaltrials
NCT06022146	clinicaltrials
NCT06024915	clinicaltrials
NCT06031454	clinicaltrials
NCT06057519	clinicaltrials
NCT06064539	clinicaltrials
NCT06089733	clinicaltrials
NCT06090123	clinicaltrials
NCT06108453	clinicaltrials
NCT06114628	clinicaltrials
NCT06162169	clinicaltrials
NCT06165822	clinicaltrials
NCT06191692	clinicaltrials
NCT06192160	clinicaltrials
NCT06194864	clinicaltrials
NCT06198556	clinicaltrials
NCT06246695	clinicaltrials
NCT06253715	clinicaltrials
NCT06255951	clinicaltrials
NCT06318416	clinicaltrials
NCT06332053	clinicaltrials
NCT06344936	clinicaltrials
NCT06348290	clinicaltrials
NCT06363630	clinicaltrials
Molport-002-513-586	molport
50370232	bindingdb
The data in this table is sourced from UniChem at EBI.