Dataset

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

This MassBank record with Accession MSBNK-RIKEN-PR301240 contains the MS2 mass spectrum of Guan-fu base Y with the InChIkey XGTNTUKODZZCGL-LFXJTNOVSA-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/t11?,12-,13+,14?,15+,16+,17?,18?,19-,20?,21-,22-/m0/s1
SMILES CC(=O)OC1C[C@@]2(C)CN3[C@H]4CC56CC(=C)[C@@H]7C(O)[C@H]5[C@](C1)([C@@H]24)C3[C@@]6(O)C7O
InChI Key XGTNTUKODZZCGL-LFXJTNOVSA-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-PR301240
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • [(1S,5R,9R,11R,16S,17R,18S)-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
    22304495 PubChem
    The data in this table is sourced from UniChem at EBI.