Dataset

Puberanidine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310645 contains the MS2 mass spectrum of Puberanidine with the InChIkey VSUODASNSRJNCP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3
SMILES CCN1CC2(CCC(OC)C34C5CC6C(OC)C5(O)C(O)(CC6OC)C(CC23)C14)OC(=O)C1=C(N)C=CC=C1
InChI Key VSUODASNSRJNCP-UHFFFAOYSA-N
Molecular Formula C30H42N2O7
Exact Mass 542.673 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310645
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • (11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl) 2-aminobenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3748667 PubChem
    29371829 eMolecules
    The data in this table is sourced from UniChem at EBI.