Dataset

TRIACETIN; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005840 contains the MS mass spectrum of TRIACETIN with the InChIkey URAYPUMNDPQOKB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
SMILES CC(=O)OCC(COC(C)=O)OC(C)=O
InChI Key URAYPUMNDPQOKB-UHFFFAOYSA-N
Molecular Formula C9H14O6
Exact Mass 218.079 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005840
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    490992 eMolecules
    XHX3C3X673 FDA SRS
    PD001722 ProbesDrugs
    102-76-1 ACToR
    5541 PubChem
    14773481 PubChem: Thomson Pharma
    9661 Rhea
    CB7441695 ChemicalBook
    HMDB0029592 Human Metabolome Database
    97252 Brenda
    130723 Brenda
    13006 Brenda
    100643 Brenda
    30751 Brenda
    2765 Brenda
    MTBLC9661 Metabolights
    9661 ChEBI
    SCHEMBL3870 SureChEMBL
    MCULE-6622854116 Mcule
    10016828 NMRShiftDB
    ENZACTIN clinicaltrials
    XAQFUS CCDC
    J5.010E Nikkaji
    LMGL03012615 LipidMaps
    DTXSID3026691 EPA CompTox Dashboard
    HY-B0896 MedChemExpress
    DB16005 DrugBank
    TRIACETIN clinicaltrials
    ZINC000001530705 ZINC
    TRIACETIN rxnorm
    3624 DrugCentral
    CHEMBL1489254 ChEMBL
    The data in this table is sourced from UniChem at EBI.