Dataset

Mitomycin C; LC-ESI-Q; MS; POS; 45 V, 60 V

This MassBank record with Accession MSBNK-Waters-WA000769 contains the MS mass spectrum of Mitomycin C with the InChIkey NWIBSHFKIJFRCO-WUDYKRTCSA-N.

Chemical Information

InChI	InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1
SMILES	NC(=O)OCC(c21)C(OC)(C43)N(CC(N4)3)c(c(=O)c(C)c(N)c(=O)2)1
InChI Key	NWIBSHFKIJFRCO-WUDYKRTCSA-N
Molecular Formula	C15H18N4O5
Exact Mass	334.128 g/mol

Data and Resources

Mitomycin CHTML

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Related Molecule ⌄

[(4S,6S,7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000769
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	[(4S,6S,7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00305	drugbank
CHEBI:27504	chebi
CHEMBL105	chembl
3760	surechembl
5746	pubchem
50SG953SK6	fdasrs
PD003405	probes_and_drugs
KUWQIF	CCDC
151036	brenda
229659	brenda
229660	brenda
3150	brenda
HMDB0014450	hmdb
DTXSID2020898	comptox
NCT00002490	clinicaltrials
NCT00002507	clinicaltrials
NCT00002993	clinicaltrials
NCT00003003	clinicaltrials
NCT00003018	clinicaltrials
NCT00003159	clinicaltrials
NCT00003209	clinicaltrials
NCT00003240	clinicaltrials
NCT00003596	clinicaltrials
NCT00003710	clinicaltrials
NCT00003893	clinicaltrials
NCT00003907	clinicaltrials
NCT00004209	clinicaltrials
NCT00004887	clinicaltrials
NCT00005825	clinicaltrials
NCT00005870	clinicaltrials
NCT00005944	clinicaltrials
NCT00006112	clinicaltrials
NCT00023842	clinicaltrials
NCT00023868	clinicaltrials
NCT00024271	clinicaltrials
NCT00024349	clinicaltrials
NCT00025090	clinicaltrials
NCT00030459	clinicaltrials
NCT00033644	clinicaltrials
NCT00042887	clinicaltrials
NCT00068744	clinicaltrials
NCT00075699	clinicaltrials
NCT00128037	clinicaltrials
NCT00148395	clinicaltrials
NCT00183885	clinicaltrials
NCT00192049	clinicaltrials
NCT00201396	clinicaltrials
NCT00201747	clinicaltrials
NCT00265863	clinicaltrials
NCT00271011	clinicaltrials
NCT00276744	clinicaltrials
NCT00289445	clinicaltrials
NCT00294359	clinicaltrials
NCT00296322	clinicaltrials
NCT00296335	clinicaltrials
NCT00296335	clinicaltrials
NCT00318643	clinicaltrials
NCT00346489	clinicaltrials
NCT00386399	clinicaltrials
NCT00423293	clinicaltrials
NCT00449098	clinicaltrials
NCT00472810	clinicaltrials
NCT00524758	clinicaltrials
NCT00538590	clinicaltrials
NCT00564213	clinicaltrials
NCT00599950	clinicaltrials
NCT00626782	clinicaltrials
NCT00652860	clinicaltrials
NCT00661583	clinicaltrials
NCT00666237	clinicaltrials
NCT00734994	clinicaltrials
NCT00893490	clinicaltrials
NCT00918528	clinicaltrials
NCT00921531	clinicaltrials
NCT00949182	clinicaltrials
NCT00966056	clinicaltrials
NCT00967291	clinicaltrials
NCT00974818	clinicaltrials
NCT00981656	clinicaltrials
NCT00999973	clinicaltrials
NCT01004978	clinicaltrials
NCT01011010	clinicaltrials
NCT01017640	clinicaltrials
NCT01042041	clinicaltrials
NCT01042782	clinicaltrials
NCT01094964	clinicaltrials
NCT01115517	clinicaltrials
NCT01149174	clinicaltrials
NCT01167725	clinicaltrials
NCT01171482	clinicaltrials
NCT01196455	clinicaltrials
NCT01200992	clinicaltrials
NCT01263834	clinicaltrials
NCT01296763	clinicaltrials
NCT01297803	clinicaltrials
NCT01324141	clinicaltrials
NCT01327521	clinicaltrials
NCT01440751	clinicaltrials
NCT01442519	clinicaltrials
NCT01489566	clinicaltrials
NCT01511146	clinicaltrials
NCT01530503	clinicaltrials
NCT01580410	clinicaltrials
NCT01621217	clinicaltrials
NCT01671488	clinicaltrials
NCT01675219	clinicaltrials
NCT01688024	clinicaltrials
NCT01703910	clinicaltrials
NCT01815359	clinicaltrials
NCT01843452	clinicaltrials
NCT01858025	clinicaltrials
NCT01905150	clinicaltrials
NCT01920269	clinicaltrials
NCT01941966	clinicaltrials
NCT01953406	clinicaltrials
NCT02015650	clinicaltrials
NCT02016898	clinicaltrials
NCT02030990	clinicaltrials
NCT02040142	clinicaltrials
NCT02070120	clinicaltrials
NCT02092298	clinicaltrials
NCT02106572	clinicaltrials
NCT02199327	clinicaltrials
NCT02254915	clinicaltrials
NCT02299999	clinicaltrials
NCT02301091	clinicaltrials
NCT02307487	clinicaltrials
NCT02311101	clinicaltrials
NCT02316171	clinicaltrials
NCT02369458	clinicaltrials
NCT02369939	clinicaltrials
NCT02385370	clinicaltrials
NCT02526953	clinicaltrials
NCT02560220	clinicaltrials
NCT02614534	clinicaltrials
NCT02638857	clinicaltrials
NCT02641132	clinicaltrials
NCT02695771	clinicaltrials
NCT02701088	clinicaltrials
NCT02710734	clinicaltrials
NCT02793128	clinicaltrials
NCT02805257	clinicaltrials
NCT02891447	clinicaltrials
NCT02901236	clinicaltrials
NCT02948543	clinicaltrials
NCT02982395	clinicaltrials
NCT02994251	clinicaltrials
NCT03058757	clinicaltrials
NCT03073694	clinicaltrials
NCT03092518	clinicaltrials
NCT03101501	clinicaltrials
NCT03126877	clinicaltrials
NCT03242317	clinicaltrials
NCT03330028	clinicaltrials
NCT03348969	clinicaltrials
NCT03381352	clinicaltrials
NCT03506542	clinicaltrials
NCT03558503	clinicaltrials
NCT03617913	clinicaltrials
NCT03658304	clinicaltrials
NCT03664869	clinicaltrials
NCT03766425	clinicaltrials
NCT03775265	clinicaltrials
NCT03790384	clinicaltrials
NCT03875911	clinicaltrials
NCT03924544	clinicaltrials
NCT04006691	clinicaltrials
NCT04037072	clinicaltrials
NCT04107077	clinicaltrials
NCT04166318	clinicaltrials
NCT04172675	clinicaltrials
NCT04200417	clinicaltrials
NCT04216290	clinicaltrials
NCT04241185	clinicaltrials
NCT04311580	clinicaltrials
NCT04329494	clinicaltrials
NCT04352660	clinicaltrials
NCT04493073	clinicaltrials
NCT04688931	clinicaltrials
NCT04811924	clinicaltrials
NCT04845490	clinicaltrials
NCT04847063	clinicaltrials
NCT04929028	clinicaltrials
NCT05024734	clinicaltrials
NCT05136898	clinicaltrials
NCT05243550	clinicaltrials
NCT05544253	clinicaltrials
NCT05627947	clinicaltrials
NCT05672108	clinicaltrials
NCT05688488	clinicaltrials
NCT05902533	clinicaltrials
NCT05979909	clinicaltrials
NCT06207981	clinicaltrials
NCT06211764	clinicaltrials
NCT06227065	clinicaltrials
NCT06232005	clinicaltrials
NCT06233877	clinicaltrials
NCT06319820	clinicaltrials
NCT06462001	clinicaltrials
Molport-003-938-644	molport
1819	drugcentral
50428658	bindingdb
The data in this table is sourced from UniChem at EBI.