Dataset

Aurantiamide acetate; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000710 contains the MS2 mass spectrum of Aurantiamide acetate with the InChIkey VZPAURMDJZOGHU-SKCDSABHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)/t24-,25?/m0/s1
SMILES CC(=O)OC[C@H](CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI Key VZPAURMDJZOGHU-SKCDSABHSA-N
Molecular Formula C27H28N2O4
Exact Mass 444.205 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-AC000710
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MetadataPublished 2017-07-07
Related Molecule
  • [(2S)-2-[(2-benzamido-3-phenylpropanoyl)amino]-3-phenylpropyl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:194125 chebi
    30004267 surechembl
    124319 pubchem
    Molport-051-802-279 molport
    The data in this table is sourced from UniChem at EBI.