Dataset

Cyclophosphamide; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU272701 contains the MS2 mass spectrum of Cyclophosphamide with the InChIkey CMSMOCZEIVJLDB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)
SMILES ClCCN(CCCl)P1(=O)NCCCO1
InChI Key CMSMOCZEIVJLDB-UHFFFAOYSA-N
Molecular Formula C7H15Cl2N2O2P
Exact Mass 260.025 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU272701
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MetadataPublished 2019-05-30
Related Molecule
  • N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00531 drugbank
    CHEBI:4027 chebi
    CHEMBL88 chembl
    10262910 surechembl
    4346 surechembl
    2907 pubchem
    6UXW23996M fdasrs
    7154 gtopdb
    PD002782 probes_and_drugs
    CLEOZP CCDC
    13807 brenda
    229311 brenda
    229312 brenda
    HMDB0014672 hmdb
    Molport-001-783-420 molport
    758 drugcentral
    50237604 bindingdb
    The data in this table is sourced from UniChem at EBI.