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    List of Peak Groups


    Peak Group Formula Sample MS Run Sample Peak Annotation Filename
    glycine C2H5NO2 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    isoleucine C6H13NO2 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    lactate C3H6O3 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    leucine C6H13NO2 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    lysine C6H14N2O2 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    malate C4H6O5 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    methionine C5H11NO2S col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    phenylalanine C9H11NO2 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    proline C5H9NO2 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    pyruvate C3H4O3 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    serine C3H7NO3 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    succinate C4H6O4 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    threonine C4H9NO3 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    tryptophan C11H12N2O2 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    valine C5H11NO2 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma negative_corrected.xlsx
    alanine C3H7NO2 col005e_40 col005e_40 run by Michael Neinast on 2021-07-07 (polarity: negative, mz min: 70.001579284668, mz max: 999.97802734375) col005e_glucose plasma positive_corrected.xlsx
    3-phosphoglycerate C3H7O7P col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    a-ketoglutarate C5H6O5 col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    aspartate C4H7NO4 col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    citrate/isocitrate C6H8O7 col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    creatine C4H9N3O2 col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    fumarate C4H4O4 col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    glucose C6H12O6 col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    glutamate C5H9NO4 col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    glutamine C5H10N2O3 col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    Glyceraldehyde-3-phosphate C3H7O6P col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    lactate C3H6O3 col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    malate C4H6O5 col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    pyruvate C3H4O3 col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    succinate C4H6O4 col005f2b_D_01 col005f2b_D_01 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 84.998992919922, mz max: 199.986953735352) col005f2b_glutamine tissues 2_corrected.xlsx
    3-phosphoglycerate C3H7O7P col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    a-ketoglutarate C5H6O5 col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    aspartate C4H7NO4 col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    citrate/isocitrate C6H8O7 col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    creatine C4H9N3O2 col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    fumarate C4H4O4 col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    glucose C6H12O6 col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    glutamate C5H9NO4 col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    glutamine C5H10N2O3 col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    Glyceraldehyde-3-phosphate C3H7O6P col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    lactate C3H6O3 col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    malate C4H6O5 col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    pyruvate C3H4O3 col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    succinate C4H6O4 col005f2b_D_02 col005f2b_D_02 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000579833984, mz max: 199.996383666992) col005f2b_glutamine tissues 2_corrected.xlsx
    3-phosphoglycerate C3H7O7P col005f2b_D_03 col005f2b_D_03 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000114440918, mz max: 199.983932495117) col005f2b_glutamine tissues 2_corrected.xlsx
    a-ketoglutarate C5H6O5 col005f2b_D_03 col005f2b_D_03 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000114440918, mz max: 199.983932495117) col005f2b_glutamine tissues 2_corrected.xlsx
    aspartate C4H7NO4 col005f2b_D_03 col005f2b_D_03 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000114440918, mz max: 199.983932495117) col005f2b_glutamine tissues 2_corrected.xlsx
    citrate/isocitrate C6H8O7 col005f2b_D_03 col005f2b_D_03 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000114440918, mz max: 199.983932495117) col005f2b_glutamine tissues 2_corrected.xlsx
    creatine C4H9N3O2 col005f2b_D_03 col005f2b_D_03 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000114440918, mz max: 199.983932495117) col005f2b_glutamine tissues 2_corrected.xlsx
    fumarate C4H4O4 col005f2b_D_03 col005f2b_D_03 run by Michael Neinast on 2023-07-08 (polarity: negative, mz min: 85.000114440918, mz max: 199.983932495117) col005f2b_glutamine tissues 2_corrected.xlsx
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