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

molecular Image
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

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
    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.