Dataset

Mitomycin C

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

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

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
MetadataCreated	2024-01-11T22:45:42.572434
MetadataModified	2024-01-11T22:45:42.750471
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL3760	SureChEMBL
KUWQIF	CCDC
7089	Guide to Pharmacology
J64.512E	Nikkaji
5746	PubChem
14924490	PubChem: Thomson Pharma
144085-53-0	ACToR
LSM-6310	LINCS
50SG953SK6	FDA SRS
PD003405	ProbesDrugs
60022191	NMRShiftDB
1404-00-8	ACToR
14899962	PubChem: Thomson Pharma
MTBLC27504	Metabolights
PA450524	PharmGKB
3150	Brenda
mitomycin	DailyMed
CB8456544	ChemicalBook
HMDB0014450	Human Metabolome Database
151036	Brenda
MITOCIN-C	clinicaltrials
MITOMYCIN	clinicaltrials
ZINC000030726187	ZINC
JELMYTO	clinicaltrials
MUTAMYCIN	clinicaltrials
MYTOZYTREX	clinicaltrials
AMETYCINE	clinicaltrials
UGN-102	clinicaltrials
UGN-101	clinicaltrials
MITOSOL	clinicaltrials
50428658	BindingDB
MITOMYCIN C	clinicaltrials
1819	DrugCentral
DTXSID2020898	EPA CompTox Dashboard
MITOMYCIN	DailyMed
229659	Brenda
229660	Brenda
MITOSOL	rxnorm
MUTAMYCIN	rxnorm
MITOMYCIN	rxnorm
JELMYTO	rxnorm
NSC-26980	clinicaltrials
CHEMBL105	ChEMBL
C06681	KEGG Ligand
27504	ChEBI
DB00305	DrugBank
29541174	eMolecules
529286	eMolecules
The data in this table is sourced from UniChem at EBI.