Dataset

T-2 tetraol; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000630 contains the MS2 mass spectrum of T-2 tetraol with the InChIkey ZAXZBJSXSOISTF-ZSTBYQRGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3/t8-,9+,10+,11+,12+,13+,14+,15?/m0/s1
SMILES CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)CO
InChI Key ZAXZBJSXSOISTF-ZSTBYQRGSA-N
Molecular Formula C15H22O6
Exact Mass 298.142 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-AC000630
Version
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Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (1S,2R,4S,7R,9R,10R,11S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,10,11-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    34114-99-3 ACToR
    CB7498422 ChemicalBook
    SCHEMBL19971587 SureChEMBL
    3034745 PubChem
    The data in this table is sourced from UniChem at EBI.