Dataset

Guan-fu base Y; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR308884 contains the MS2 mass spectrum of Guan-fu base Y with the InChIkey XGTNTUKODZZCGL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H29NO5/c1-9-4-20-7-12-15-19(3)5-11(28-10(2)24)6-21(15)16(20)14(25)13(9)17(26)22(20,27)18(21)23(12)8-19/h11-18,25-27H,1,4-8H2,2-3H3
SMILES CC(=O)OC1CC2(C)CN3C4CC56CC(=C)C7C(O)C5C(C1)(C24)C3C6(O)C7O
InChI Key XGTNTUKODZZCGL-UHFFFAOYSA-N
Molecular Formula C22H29NO5
Exact Mass 387.476 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-PR308884
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (9,10,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl) acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL5311194 ChEMBL
    70126660 NMRShiftDB
    3101182 PubChem
    The data in this table is sourced from UniChem at EBI.