Dataset

Chloralose; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU057155 contains the MS2 mass spectrum of Chloralose with the InChIkey OJYGBLRPYBAHRT-IPQSZEQASA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7-/m1/s1
SMILES OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl
InChI Key OJYGBLRPYBAHRT-IPQSZEQASA-N
Molecular Formula C8H11Cl3O6
Exact Mass 307.962 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-LCSB-LU057155
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Maintainer
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MetadataPublished 2020-08-19
Related Molecule
  • (1R)-1-[(2R,3aR,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2104181 chembl
    39185 surechembl
    7057995 pubchem
    238BZ29MUE fdasrs
    DB19678 drugbank
    PD012070 probes_and_drugs
    BEWKOD CCDC
    Molport-004-285-602 molport
    3086 drugcentral
    The data in this table is sourced from UniChem at EBI.