Dataset

Cyclo(VVFF); LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000947 contains the MS2 mass spectrum of Cyclo(VVFF) with the InChIkey OWKLJRMFTXDULF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H36N4O4/c1-17(2)23-27(35)30-21(15-19-11-7-5-8-12-19)25(33)29-22(16-20-13-9-6-10-14-20)26(34)31-24(18(3)4)28(36)32-23/h5-14,17-18,21-24H,15-16H2,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)
SMILES O=C(NC(C(C)C)C(NC(CC1=CC=CC=C1)C(NC2CC3=CC=CC=C3)=O)=O)C(C(C)C)NC2=O
InChI Key OWKLJRMFTXDULF-UHFFFAOYSA-N
Molecular Formula C28H36N4O4
Exact Mass 492.274 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000947
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Author
Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • 3,6-dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    424453 pubchem
    The data in this table is sourced from UniChem at EBI.