Dataset

turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HOO]-

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA05220 contains the MS2 mass spectrum of turkesterone with the InChIkey WSBAGDDNVWTLOM-ULTQMYNUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14?,17?,18?,19-,20?,21+,22?,24+,25-,26-,27-/m1/s1
SMILES CC(C)(O)CC[C@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)C[C@]4(C)C3[C@H](O)C[C@]12C
InChI Key WSBAGDDNVWTLOM-ULTQMYNUSA-N
Molecular Formula C27H44O8
Exact Mass 496.647 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-NGA05220
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MetadataPublished 2018-04-04
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    51361782 PubChem
    The data in this table is sourced from UniChem at EBI.