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    List of Peak Groups


    Peak Group Formula Sample MS Run Sample Peak Annotation Filename
    threonine C4H9NO3 col005d_47 col005d_47 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 69.99991607666, mz max: 999.959411621094) col005d_plasma negative_corrected.xlsx
    tryptophan C11H12N2O2 col005d_47 col005d_47 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 69.99991607666, mz max: 999.959411621094) col005d_plasma negative_corrected.xlsx
    valine C5H11NO2 col005d_47 col005d_47 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 69.99991607666, mz max: 999.959411621094) col005d_plasma negative_corrected.xlsx
    2-keto-isocaproate/2-keto-methylvalerate C6H10O3 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    2-keto-isovalerate C5H8O3 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    3-hydroxybutyrate C4H8O3 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    alanine C3H7NO2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    arginine C6H14N4O2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    asparagine C4H8N2O3 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    C18:1 C18H34O2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    C18:2 C18H32O2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    citrate/isocitrate C6H8O7 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    creatine C4H9N3O2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    creatinine C4H7N3O col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    glucose C6H12O6 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    glutamate C5H9NO4 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    glutamine C5H10N2O3 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    glycerol C3H8O3 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    glycine C2H5NO2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    homocarnosine C10H16N4O3 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    isoleucine C6H13NO2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    lactate C3H6O3 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    leucine C6H13NO2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    lysine C6H14N2O2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    malate C4H6O5 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    methionine C5H11NO2S col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    phenylalanine C9H11NO2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    proline C5H9NO2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    pyruvate C3H4O3 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    serine C3H7NO3 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    succinate C4H6O4 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    threonine C4H9NO3 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    tryptophan C11H12N2O2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    valine C5H11NO2 col005d_48 col005d_48 run by Michael Neinast on 2021-06-02 (polarity: negative, mz min: 70.001235961914, mz max: 999.954711914063) col005d_plasma negative_corrected.xlsx
    2-keto-isocaproate/2-keto-methylvalerate C6H10O3 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    2-keto-isovalerate C5H8O3 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    3-hydroxyisobutyrate C4H8O3 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    a-ketoglutarate C5H6O5 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    alanine C3H7NO2 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    arginine C6H14N4O2 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    asparagine C4H8N2O3 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    aspartate C4H7NO4 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    C16:0 C16H32O2 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    C18:1 C18H34O2 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    C18:2 C18H32O2 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    citrate/isocitrate C6H8O7 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    creatine C4H9N3O2 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    creatinine C4H7N3O col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    glutamate C5H9NO4 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
    glutamine C5H10N2O3 col005d_01_B col005d_01_B run by Michael Neinast on 2021-06-15 (polarity: negative, mz min: 70.00023651123, mz max: 999.9501953125) col005d_tissue B H L Q TA_corrected.xlsx
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