Dataset

Satratoxin G; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000592 contains the MS2 mass spectrum of Satratoxin G with the InChIkey GTONGKBINDTWOM-QXMOYCCXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C29H36O10/c1-16-7-9-26-14-34-23(32)22-28(39-22)10-11-35-27(17(2)30,24(28)33)8-5-4-6-21(31)38-18-13-20(37-19(26)12-16)29(15-36-29)25(18,26)3/h4-6,8,12,17-20,22,24,30,33H,7,9-11,13-15H2,1-3H3/b6-4-,8-5+
SMILES CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC(C5O)(/C=C/C=C\C(=O)OC6C3(C7(CO7)C(C6)O2)C)C(C)O
InChI Key GTONGKBINDTWOM-QXMOYCCXSA-N
Molecular Formula C29H36O10
Exact Mass 544.231 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000592
Version
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Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (20Z,22E)-28-hydroxy-24-(1-hydroxyethyl)-10,16-dimethylspiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,22-triene-15,2'-oxirane]-4,19-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD126640 ProbesDrugs
    6437354 PubChem
    DTXSID50891844 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.