Dataset

Chloralose; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01141952 contains the MS2 mass spectrum of Chloralose with the InChIkey OJYGBLRPYBAHRT-UHFFFAOYSA-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
SMILES C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O
InChI Key OJYGBLRPYBAHRT-UHFFFAOYSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01141952
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MetadataPublished 2023-08-10
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
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    1970837 eMolecules
    PD055567 ProbesDrugs
    15879-93-3 ACToR
    85991 PubChem
    20209044 NMRShiftDB
    SCHEMBL39186 SureChEMBL
    MCULE-5494242867 Mcule
    HMDB0031727 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.