Dataset

Songorine; LC-ESI-QQQ; MS; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-CB000197 contains the MS mass spectrum of Songorine with the InChIkey CBOSLVQFGANWTL-NQZGNCTHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13?,15-,16-,17+,18?,19-,20+,21-,22+/m1/s1
SMILES C=C1[C@H]2C[C@]3(C4C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@]5(C4N(CC)C6)[C@@H]3CC2=O)[C@@H]1O
InChI Key CBOSLVQFGANWTL-NQZGNCTHSA-N
Molecular Formula C22H31NO3
Exact Mass 357.497 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-CB000197
Version
Author
Maintainer
Language
MetadataPublished 2018-04-04
Related Molecule
  • (1R,2R,5R,7R,8S,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    44660172 pubchem
    The data in this table is sourced from UniChem at EBI.