Dataset

Mitomycin C

This MassBank record with Accession MSBNK-Waters-WA000771 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-WA000771
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:38:40.553939
MetadataModified	2025-02-09T20:23:53.840577
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB8456544	ChemicalBook
PA450524	PharmGKB
151036	Brenda
MTBLC27504	Metabolights
3150	Brenda
mitomycin	DailyMed
ZINC000030726187	ZINC
HMDB0014450	Human Metabolome Database
SCHEMBL3760	SureChEMBL
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
29541174	eMolecules
529286	eMolecules
MITOMYCIN	DailyMed
50428658	BindingDB
229660	Brenda
JELMYTO	rxnorm
MITOSOL	rxnorm
MUTAMYCIN	rxnorm
MITOMYCIN	rxnorm
MITOCIN-C	clinicaltrials
MITOMYCIN	clinicaltrials
MITOMYCIN C	clinicaltrials
MITOSOL	clinicaltrials
NSC-26980	clinicaltrials
UGN-101	clinicaltrials
UGN-102	clinicaltrials
AMETYCINE	clinicaltrials
MUTAMYCIN	clinicaltrials
MYTOZYTREX	clinicaltrials
JELMYTO	clinicaltrials
DTXSID2020898	EPA CompTox Dashboard
1819	DrugCentral
7089	Guide to Pharmacology
J64.512E	Nikkaji
KUWQIF	CCDC
229659	Brenda
27504	ChEBI
C06681	KEGG Ligand
CHEMBL105	ChEMBL
DB00305	DrugBank
The data in this table is sourced from UniChem at EBI.