Dataset

KU60648_BTP_M11; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000203 contains the MS2 mass spectrum of KU60648_BTP_M11 with the InChIkey YCJXTVMUKTWLCR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H33N3O13/c1-2-22-3-5-23(6-4-22)18-13(29)9(25)11(27)15(35-18)17(31)21-7-8(24)34-20-14(30)10(26)12(28)16(36-20)19(32)33/h9-16,18,20,25-30H,2-7H2,1H3,(H,21,31)(H,32,33)
SMILES CCN1CCN(C2OC(C(NCC(OC3OC(C(O)=O)C(O)C(O)C3O)=O)=O)C(O)C(O)C2O)CC1
InChI Key YCJXTVMUKTWLCR-UHFFFAOYSA-N
Molecular Formula C20H33N3O13
Exact Mass 523.201 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-UoB-XB000203
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MetadataPublished 2023-04-21
Related Molecule
  • 6-[2-[[6-(4-ethylpiperazin-1-yl)-3,4,5-trihydroxyoxane-2-carbonyl]amino]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168476561 PubChem
    The data in this table is sourced from UniChem at EBI.