#METABOLOMICS WORKBENCH Tom_Metz_20140708_9768151_mwtab.txt DATATRACK_ID:136 STUDY_ID:ST000092 ANALYSIS_ID:AN000146 PROJECT_ID:PR000084 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE T1D Investigating the gut microbiome, urinary proteome, and metabolome PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY - PR:INSTITUTE J. Craig Venter Institute PR:DEPARTMENT Genomic Medicine Group PR:LAST_NAME Madupu PR:FIRST_NAME Ramana PR:ADDRESS - PR:EMAIL rmadupu@jcvi.org PR:PHONE - #STUDY ST:STUDY_TITLE A statistical analysis of the effects of urease pre-treatment on the ST:STUDY_TITLE of the urinary metabolome by gas chromatographymass spectrometry ST:STUDY_TYPE Analytical Comparison ST:STUDY_SUMMARY Urease pre-treatment of urine has been utilized since the early 1960s to remove ST:STUDY_SUMMARY levels of urea from samples prior to further processing and analysis by gas ST:STUDY_SUMMARY spectrometry (GCMS). Aside from the obvious depletion or elimination of urea, ST:STUDY_SUMMARY effect, if any, of urease pre-treatment on the urinary metabolome has not been ST:STUDY_SUMMARY in detail. Here, we report the results of three separate but related ST:STUDY_SUMMARY that were designed to assess possible indirect effects of urease pre-treatment ST:STUDY_SUMMARY the urinary metabolome as measured by GCMS. In total, 235 GCMS analyses ST:STUDY_SUMMARY performed and over 106 identified and 200 unidentified metabolites were ST:STUDY_SUMMARY across the three experiments. The results showed that data from urease ST:STUDY_SUMMARY samples (1) had the same or lower coefficients of variance among reproducibly ST:STUDY_SUMMARY metabolites, (2) more accurately reflected quantitative differences and the ST:STUDY_SUMMARY ratios among different urine volumes, and (3) increased the number of ST:STUDY_SUMMARY identifications. Overall, we observed no negative consequences of urease ST:STUDY_SUMMARY In contrast, urease pre-treatment enhanced the ability to distinguish between ST:STUDY_SUMMARY and biological sample types compared to no treatment. Taken together, these ST:STUDY_SUMMARY show that urease pre-treatment of urine offers multiple beneficial effects that ST:STUDY_SUMMARY any artifacts that may be introduced to the data in urinary metabolomics ST:INSTITUTE Pacific Northwest National Laboratory ST:DEPARTMENT Biological Separation and Mass Spectrometry ST:LAST_NAME Metz ST:FIRST_NAME Thomas ST:ADDRESS - ST:EMAIL thomas.metz@pnnl.gov ST:PHONE - ST:NUM_GROUPS 6 ST:TOTAL_SUBJECTS 235 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and Female SU:HUMAN_RACE Hispanic, Aisan, Caucasian SU:SPECIES_GROUP Human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_100uL_1 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_100uL_2 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_100uL_3 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_1_1 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_1_2 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_1_3 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_2_1 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_2_2 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_2_3 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_3_1 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_3_2 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_3_3 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_4_1 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_4_2 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_4_3 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_5_1 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_5_2 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_NT_5_3 Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_10uL_1 Urease Treatment:No treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_10uL_2 Urease Treatment:No treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_10uL_3 Urease Treatment:No treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_25uL_1 Urease Treatment:No treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_25uL_2 Urease Treatment:No treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_25uL_3 Urease Treatment:No treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Asian_23_BRH600227_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Asian_23_BRH600227_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Asian_24_BRH600219_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Asian_24_BRH600219_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Black_24_BRH600216_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Black_24_BRH600216_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Black_24_BRH600226_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Black_24_BRH600226_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_22_BRH600221_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_22_BRH600221_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_23_BRH600213_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_23_BRH600213_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_23_BRH600214_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_23_BRH600214_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_23_BRH600218_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_23_BRH600218_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_23_BRH600224_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_23_BRH600224_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_23_BRH600225_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_23_BRH600225_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_23_BRH600228_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_23_BRH600228_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_24_BRH600211_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_24_BRH600211_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_24_BRH600215_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_24_BRH600215_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_24_BRH600217_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_24_BRH600217_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_24_BRH600223_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_24_BRH600223_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_24_BRH600229_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Caucasian_24_BRH600229_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Hispanic_23_BRH600210_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Hispanic_23_BRH600210_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Hispanic_23_BRH600212_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Hispanic_23_BRH600212_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Hispanic_24_BRH600220_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Hispanic_24_BRH600220_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Hispanic_24_BRH600222_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Female_Hispanic_24_BRH600222_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_20_BRH600193_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_20_BRH600193_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_20_BRH600196_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_20_BRH600196_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_21_BRH600192_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_21_BRH600192_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_21_BRH600197_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_21_BRH600197_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_21_BRH600201_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_21_BRH600201_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_21_BRH600202_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_21_BRH600202_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_21_BRH600204_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_21_BRH600204_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_22_BRH600190_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_22_BRH600190_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_22_BRH600194_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_22_BRH600194_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_22_BRH600198_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_22_BRH600198_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_22_BRH600199_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Caucasian_22_BRH600199_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_20_BRH600206_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_20_BRH600206_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_20_BRH600207_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_20_BRH600207_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_20_BRH600208_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_20_BRH600208_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_21_BRH600191_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_21_BRH600191_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_21_BRH600205_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_21_BRH600205_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_21_BRH600209_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_21_BRH600209_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_22_BRH600195_C Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_22_BRH600195_D Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_22_BRH600200_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_22_BRH600200_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_22_BRH600203_A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_NT_Male_Hispanic_22_BRH600203_B Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_50uL_1 Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_50uL_2 Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_50uL_3 Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_5uL_1 Urease Treatment:No treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_5uL_2 Urease Treatment:No treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_NT_5uL_3 Urease Treatment:No treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_100uL_1 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_100uL_2 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_100uL_3 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_1_1 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_1_2 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_1_3 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_2_1 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_2_2 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_2_3 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_3_1 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_3_2 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_3_3 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_4_1 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_4_2 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_4_3 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_5_1 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_5_2 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_UT_5_3 Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_10uL_1 Urease Treatment:Urease pre-treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_10uL_2 Urease Treatment:Urease pre-treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_10uL_3 Urease Treatment:Urease pre-treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_25uL_1 Urease Treatment:Urease pre-treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_25uL_2 Urease Treatment:Urease pre-treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_25uL_3 Urease Treatment:Urease pre-treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Asian_23_BRH600227_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Asian_23_BRH600227_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Asian_24_BRH600219_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Asian_24_BRH600219_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Black_24_BRH600216_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Black_24_BRH600216_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Black_24_BRH600226_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Black_24_BRH600226_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_22_BRH600221_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_22_BRH600221_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_23_BRH600213_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_23_BRH600213_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_23_BRH600214_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_23_BRH600214_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_23_BRH600218_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_23_BRH600218_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_23_BRH600224_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_23_BRH600224_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_23_BRH600225_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_23_BRH600225_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_23_BRH600228_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_23_BRH600228_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_24_BRH600211_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_24_BRH600211_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_24_BRH600215_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_24_BRH600215_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_24_BRH600217_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_24_BRH600217_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_24_BRH600223_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_24_BRH600223_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_24_BRH600229_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Caucasian_24_BRH600229_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Hispanic_23_BRH600210_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Hispanic_23_BRH600210_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Hispanic_23_BRH600212_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Hispanic_23_BRH600212_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Hispanic_24_BRH600220_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Hispanic_24_BRH600220_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Hispanic_24_BRH600222_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Female_Hispanic_24_BRH600222_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_20_BRH600193_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_20_BRH600193_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_20_BRH600196_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_20_BRH600196_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_21_BRH600192_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_21_BRH600192_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_21_BRH600197_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_21_BRH600197_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_21_BRH600201_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_21_BRH600201_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_21_BRH600202_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_21_BRH600202_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_21_BRH600204_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_21_BRH600204_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_22_BRH600190_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_22_BRH600190_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_22_BRH600194_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_22_BRH600194_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_22_BRH600198_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_22_BRH600198_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_22_BRH600199_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Caucasian_22_BRH600199_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_20_BRH600206_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_20_BRH600206_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_20_BRH600207_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_20_BRH600207_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_20_BRH600208_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_20_BRH600208_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_21_BRH600191_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_21_BRH600191_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_21_BRH600205_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_21_BRH600205_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_21_BRH600209_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_21_BRH600209_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_22_BRH600195_C Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_22_BRH600195_D Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_22_BRH600200_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_22_BRH600200_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_22_BRH600203_A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - MaleVsFemale_UT_Male_Hispanic_22_BRH600203_B Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_50uL_1 Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_50uL_2 Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_50uL_3 Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_5uL_1 Urease Treatment:Urease pre-treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_5uL_2 Urease Treatment:Urease pre-treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - VaryingVolume_UT_5uL_3 Urease Treatment:Urease pre-treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_1_1 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_1_2 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_1_3 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_2_1 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_2_2 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_2_3 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_3_1 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_3_2 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_3_3 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_4_1 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_4_2 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_4_3 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_5_1 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_5_2 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A SUBJECT_SAMPLE_FACTORS - ConstantVolume_WT_5_3 Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A #COLLECTION CO:COLLECTION_SUMMARY Approval for the conduct of this programmatic research was obtained from the CO:COLLECTION_SUMMARY Northwest National Laboratory Institutional Review Board. Urine samples from CO:COLLECTION_SUMMARY male and female donors (n = 20 each, Supplemental Table S1) after an overnight CO:COLLECTION_SUMMARY were purchased from Bioreclamation, LLC (Hicksville, NY) and received frozen on CO:COLLECTION_SUMMARY ice and deidentified. To create a uniform sample for Experiments 1 and 2 (see CO:COLLECTION_SUMMARY aliquots from each individual sample were pooled, realiquoted, and stored at CO:COLLECTION_SUMMARY until used. CO:SAMPLE_TYPE Urine CO:STORAGE_CONDITIONS -80° C #TREATMENT TR:TREATMENT_SUMMARY Varying Volume with Urease / Male vs. Female with Urease / Constant Volume with TR:TREATMENT_SUMMARY / Constant Volume with 100 µL Water TR:TREATMENT_PROTOCOL_COMMENTS To evaluate whether the effects of urease pre-treatment of urine varied with TR:TREATMENT_PROTOCOL_COMMENTS volume of urine prepared, we compared the urine metabolite profiles from pooled TR:TREATMENT_PROTOCOL_COMMENTS after pre-treatment with urease (UT) and after no treatment (NT) using various TR:TREATMENT_PROTOCOL_COMMENTS of urine. For this, several volumes (5, 10, 25, 50, and 100 µL) of the pooled TR:TREATMENT_PROTOCOL_COMMENTS sample were incubated (n = 3, each) with 100 µL of a 1 mg/mL solution of TR:TREATMENT_PROTOCOL_COMMENTS or were not subjected to any treatment. / Finally, to evaluate whether any TR:TREATMENT_PROTOCOL_COMMENTS introduced by urease pre-treatment on the urinary metabolome interfered with TR:TREATMENT_PROTOCOL_COMMENTS ability to distinguish between comparative samples, we compared the metabolite TR:TREATMENT_PROTOCOL_COMMENTS from individual male and female urine samples after pre-treatment with urease TR:TREATMENT_PROTOCOL_COMMENTS after no treatment (previous metabolomics studies of male and female urines TR:TREATMENT_PROTOCOL_COMMENTS et al., 2008; Slupsky et al., 2007; Saude et al., 2007; Psihogios et al., 2008) TR:TREATMENT_PROTOCOL_COMMENTS reported differences in metabolite levels). For this, 50 µL aliquots of TR:TREATMENT_PROTOCOL_COMMENTS male and female urine samples (n = 20, each) were blocked, randomized, and then TR:TREATMENT_PROTOCOL_COMMENTS with 50 µL of a 1 mg/mL solution of urease (UT) or were not subjected to any TR:TREATMENT_PROTOCOL_COMMENTS (NT), each as described above. / To initially evaluate the effects of urease TR:TREATMENT_PROTOCOL_COMMENTS on the urinary metabolome, we compared the urine metabolite profiles from TR:TREATMENT_PROTOCOL_COMMENTS urine after pre-treatment with urease, water, or no treatment at all. For this, TR:TREATMENT_PROTOCOL_COMMENTS uL aliquots of the pooled urine sample were incubated (n = 5, each) with 100 uL TR:TREATMENT_PROTOCOL_COMMENTS a 1 mg/mL solution of urease (Sigma-Aldrich catalog number U4002) prepared in TR:TREATMENT_PROTOCOL_COMMENTS (urease-treated; UT) or an equal volume of water alone (water-treated; TR:TREATMENT_PROTOCOL_COMMENTS for 30 min at 37 C with mild shaking (500 rpm). Identical aliquots (n = 5) were TR:TREATMENT_PROTOCOL_COMMENTS subjected to any treatment (no treatment; NT) and allowed to sit at room TR:TREATMENT_PROTOCOL_COMMENTS for 30 min. / To initially evaluate the effects of urease pre-treatment on the TR:TREATMENT_PROTOCOL_COMMENTS metabolome, we compared the urine metabolite profiles from pooled urine after TR:TREATMENT_PROTOCOL_COMMENTS with urease, water, or no treatment at all. For this, 100 uL aliquots of the TR:TREATMENT_PROTOCOL_COMMENTS urine sample were incubated (n = 5, each) with 100 uL of a 1 mg/mL solution of TR:TREATMENT_PROTOCOL_COMMENTS (Sigma-Aldrich catalog number U4002) prepared in water (urease-treated; UT) TR:TREATMENT_PROTOCOL_COMMENTS an equal volume of water alone (water-treated; WT) for 30 min at 37 C with TR:TREATMENT_PROTOCOL_COMMENTS shaking (500 rpm). Identical aliquots (n = 5) were not subjected to any TR:TREATMENT_PROTOCOL_COMMENTS (no treatment; NT) and allowed to sit at room temperature for 30 min. TR:TREATMENT Abiotic TR:TREATMENT_COMPOUND Urease / Urease / Urease / Water TR:TREATMENT_DOSE 1 mg/ml / 1 mg/ml / 1 mg/ml / -- TR:TREATMENT_DOSEVOLUME 100 µL / 50 µL / 100 µL / 100 µL TR:HUMAN_FASTING Overnight Fast #SAMPLEPREP SP:SAMPLEPREP_SUMMARY concomitant protein precipitation with cold methanol, vortexing, SP:SAMPLEPREP_SUMMARY supernatent dried in vacuo, stored at -80° c, chemical derivitization SP:SAMPLEPREP_PROTOCOL_COMMENTS Metabolites were extracted with concomitant protein precipitation by addition SP:SAMPLEPREP_PROTOCOL_COMMENTS 1 mL of cold (-20 C) methanol with vortexing for 30 s, and precipitated SP:SAMPLEPREP_PROTOCOL_COMMENTS were removed by centrifugation at 15,000xg for 10 min at 4 C. The supernatants SP:SAMPLEPREP_PROTOCOL_COMMENTS transferred to glass autosampler vials and then dried in vacuo prior to SP:SAMPLEPREP_PROTOCOL_COMMENTS derivatization. If the extracts could not be immediately derivatized an d SP:SAMPLEPREP_PROTOCOL_COMMENTS by GCMS, then they were stored at -80C. Dried metabolite extracts were SP:SAMPLEPREP_PROTOCOL_COMMENTS derivatized using a modified version of the protocol used to create FiehnLib SP:SAMPLEPREP_PROTOCOL_COMMENTS et al., 2009). Briefly, dried metabolite extracts were dried again to remove SP:SAMPLEPREP_PROTOCOL_COMMENTS residual water if they had been stored at -80°C. To protect carbonyl groups SP:SAMPLEPREP_PROTOCOL_COMMENTS reduce the number of tautomeric isomers, 20 µL of methoxyamine in pyridine (30 SP:SAMPLEPREP_PROTOCOL_COMMENTS were added to each sample, followed by vortexing for 30 s and incubation at SP:SAMPLEPREP_PROTOCOL_COMMENTS with generous shaking (1000 rpm) for 90 min. At this point, the sample vials SP:SAMPLEPREP_PROTOCOL_COMMENTS inverted one time to capture any condensation of solvent at the cap surface, SP:SAMPLEPREP_PROTOCOL_COMMENTS by a brief centrifugation at 1000×g for 1 min. To derivatize hydroxyl and SP:SAMPLEPREP_PROTOCOL_COMMENTS groups to trimethylsilyated (TMS) forms, 80 µL of SP:SAMPLEPREP_PROTOCOL_COMMENTS (MSTFA) with 1% trimethylchlorosilane (TMCS) were then added to each vial, SP:SAMPLEPREP_PROTOCOL_COMMENTS by vortexing for 10 s and incubation at 37°C with shaking (1000 rpm) for 30 SP:SAMPLEPREP_PROTOCOL_COMMENTS Again, the sample vials were inverted one time, followed by centrifugation at SP:SAMPLEPREP_PROTOCOL_COMMENTS for 5 min. The samples were allowed to cool to room temperature and were SP:SAMPLEPREP_PROTOCOL_COMMENTS in the same day. SP:PROCESSING_METHOD precipitation, centrifugation SP:PROCESSING_STORAGE_CONDITIONS dried in vacuo, stored at -80° C SP:EXTRACTION_METHOD concomitant protein precipitation by addition of 1 mL of cold (-20 C) methanol SP:EXTRACTION_METHOD vortexing and centrifugation SP:EXTRACT_ENRICHMENT dried in vacuo SP:EXTRACT_STORAGE -80° C SP:SAMPLE_RESUSPENSION 20 µL of methoxyamine in pyridine (30 mg/mL) SP:SAMPLE_DERIVATIZATION 20 µL of methoxyamine in pyridine (30 mg/mL), 80 µL of SP:SAMPLE_DERIVATIZATION (MSTFA) with 1% trimethylchlorosilane (TMCS) #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Agilent 7890A gas chromatograph with a HP-5MS gas chromatography column using CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890A CH:COLUMN_NAME Agilent HP5-MS (30m × 0.25mm, 0.25 um) CH:CHROMATOGRAPHY_COMMENTS Chromatography was carried out on an Agilent 7890A gas chromatograph using the CH:CHROMATOGRAPHY_COMMENTS software (Chemstation) and a HP-5MS gas chromatography column (Agilent CH:CHROMATOGRAPHY_COMMENTS Santa Clara, CA; 30 m x 0.25 mm x 0.25 m film thickness). The sample injection CH:CHROMATOGRAPHY_COMMENTS was splitless, and 1 L of each sample was injected. The injection port CH:CHROMATOGRAPHY_COMMENTS was held at 250 C throughout the analysis. The GC oven was held at 60 C for 1 CH:CHROMATOGRAPHY_COMMENTS after injection, and the temperature was then increased to 325 C by 10 C/min, CH:CHROMATOGRAPHY_COMMENTS by a 5 min hold at 325 C. The helium gas flow rates for each Experiment were CH:CHROMATOGRAPHY_COMMENTS by the Agilent Retention Time Locking function based on analysis of deuterated CH:CHROMATOGRAPHY_COMMENTS acid and were in the range of 0.450.5 mL/min. CH:FLOW_RATE 0.450.5 mL/min CH:INJECTION_TEMPERATURE 250 C CH:SAMPLE_INJECTION 1 L, splitless CH:ANALYTICAL_TIME 37.5 min CH:OVEN_TEMPERATURE 60 C for 1 min, then increased to 325 C by 10 C/min, followed by a 5 min hold CH:OVEN_TEMPERATURE 325 C CH:SAMPLE_SYRINGE_SIZE 10 L #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Biological Separations & Mass Spectrometry group, Pacific Northwest National AN:LABORATORY_NAME (www.omics.pnl.gov) AN:ACQUISITION_DATE 2013 AN:SOFTWARE_VERSION Metabolite Detector vs. 2.0.6 beta AN:DATA_FORMAT Raw .D.Zip; Processed .CDF #MS MS:INSTRUMENT_NAME Agilent 5975C MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS An Agilent GC 7890A coupled with a single quadrupole MSD 5975C (Agilent MS:MS_COMMENTS Inc.; Santa Clara, CA, USA) was used, and the samples were blocked and analyzed MS:MS_COMMENTS random order for each experiment. Data were collected over the mass range MS:MS_COMMENTS m/z. A mixture of FAMEs (C8-C28) was analyzed once per day together with the MS:MS_COMMENTS for retention index alignment purposes during subsequent data analysis. MS:SCAN_RANGE_MOVERZ 50-550 m/z MS:MS_COMMENTS GCMS raw data files from each Experiment were processed using the Metabolite MS:MS_COMMENTS software, version 2.0.6 beta. Briefly, Agilent.D files were converted to netCDF MS:MS_COMMENTS using Agilent Chemstation, followed by conversion to binary files using MS:MS_COMMENTS Detector. Retention indices of detected metabolites were calculated based on MS:MS_COMMENTS analysis of the FAMEs mixture, followed by their chromatographic alignment MS:MS_COMMENTS all analyses after deconvolution. Metabolites were initially identified by MS:MS_COMMENTS experimental spectra to an augmented version of FiehnLib (i.e., the Agilent MS:MS_COMMENTS Metabolomics Retention Time Locked (RTL) Library, containing spectra and MS:MS_COMMENTS retention indices for over 700 metabolites), using a Metabolite Detector match MS:MS_COMMENTS threshold of 0.6 (combined retention index and spectral probability). All MS:MS_COMMENTS identifications were manually validated to reduce deconvolution errors during MS:MS_COMMENTS data-processing and to eliminate false identifications. The NIST 08 GCMS MS:MS_COMMENTS was also used to cross validate the spectral matching scores obtained using the MS:MS_COMMENTS library and to provide identifications of unmatched metabolites. The three most MS:MS_COMMENTS fragment ions in the spectra of each identified metabolite were automatically MS:MS_COMMENTS by Metabolite Detector, and their summed abundances were integrated across the MS:MS_COMMENTS elution profile; fragment ions due to trimethylsilylation (i.e. m/z 73 and 147) MS:MS_COMMENTS excluded from the determination of metabolite abundance. A matrix of identified MS:MS_COMMENTS unidentified metabolite features (characterized by mass spectra and retention MS:MS_COMMENTS and assigned as unknown), and their abundances was created for each MS:MS_COMMENTS for statistical analysis. Features resulting from GC column bleeding were MS:MS_COMMENTS from the data matrices prior to further data processing and analysis. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples VaryingVolume_NT_100uL_1 VaryingVolume_NT_100uL_2 VaryingVolume_NT_100uL_3 ConstantVolume_NT_1_1 ConstantVolume_NT_1_2 ConstantVolume_NT_1_3 ConstantVolume_NT_2_1 ConstantVolume_NT_2_2 ConstantVolume_NT_2_3 ConstantVolume_NT_3_1 ConstantVolume_NT_3_2 ConstantVolume_NT_3_3 ConstantVolume_NT_4_1 ConstantVolume_NT_4_2 ConstantVolume_NT_4_3 ConstantVolume_NT_5_1 ConstantVolume_NT_5_2 ConstantVolume_NT_5_3 VaryingVolume_NT_10uL_1 VaryingVolume_NT_10uL_2 VaryingVolume_NT_10uL_3 VaryingVolume_NT_25uL_1 VaryingVolume_NT_25uL_2 VaryingVolume_NT_25uL_3 MaleVsFemale_NT_Female_Asian_23_BRH600227_A MaleVsFemale_NT_Female_Asian_23_BRH600227_B MaleVsFemale_NT_Female_Asian_24_BRH600219_C MaleVsFemale_NT_Female_Asian_24_BRH600219_D MaleVsFemale_NT_Female_Black_24_BRH600216_A MaleVsFemale_NT_Female_Black_24_BRH600216_B MaleVsFemale_NT_Female_Black_24_BRH600226_C MaleVsFemale_NT_Female_Black_24_BRH600226_D MaleVsFemale_NT_Female_Caucasian_22_BRH600221_C MaleVsFemale_NT_Female_Caucasian_22_BRH600221_D MaleVsFemale_NT_Female_Caucasian_23_BRH600213_C MaleVsFemale_NT_Female_Caucasian_23_BRH600213_D MaleVsFemale_NT_Female_Caucasian_23_BRH600214_A MaleVsFemale_NT_Female_Caucasian_23_BRH600214_B MaleVsFemale_NT_Female_Caucasian_23_BRH600218_A MaleVsFemale_NT_Female_Caucasian_23_BRH600218_B MaleVsFemale_NT_Female_Caucasian_23_BRH600224_C MaleVsFemale_NT_Female_Caucasian_23_BRH600224_D MaleVsFemale_NT_Female_Caucasian_23_BRH600225_C MaleVsFemale_NT_Female_Caucasian_23_BRH600225_D MaleVsFemale_NT_Female_Caucasian_23_BRH600228_A MaleVsFemale_NT_Female_Caucasian_23_BRH600228_B MaleVsFemale_NT_Female_Caucasian_24_BRH600211_A MaleVsFemale_NT_Female_Caucasian_24_BRH600211_B MaleVsFemale_NT_Female_Caucasian_24_BRH600215_C MaleVsFemale_NT_Female_Caucasian_24_BRH600215_D MaleVsFemale_NT_Female_Caucasian_24_BRH600217_C MaleVsFemale_NT_Female_Caucasian_24_BRH600217_D MaleVsFemale_NT_Female_Caucasian_24_BRH600223_A MaleVsFemale_NT_Female_Caucasian_24_BRH600223_B MaleVsFemale_NT_Female_Caucasian_24_BRH600229_A MaleVsFemale_NT_Female_Caucasian_24_BRH600229_B MaleVsFemale_NT_Female_Hispanic_23_BRH600210_A MaleVsFemale_NT_Female_Hispanic_23_BRH600210_B MaleVsFemale_NT_Female_Hispanic_23_BRH600212_C MaleVsFemale_NT_Female_Hispanic_23_BRH600212_D MaleVsFemale_NT_Female_Hispanic_24_BRH600220_A MaleVsFemale_NT_Female_Hispanic_24_BRH600220_B MaleVsFemale_NT_Female_Hispanic_24_BRH600222_C MaleVsFemale_NT_Female_Hispanic_24_BRH600222_D MaleVsFemale_NT_Male_Caucasian_20_BRH600193_A MaleVsFemale_NT_Male_Caucasian_20_BRH600193_B MaleVsFemale_NT_Male_Caucasian_20_BRH600196_A MaleVsFemale_NT_Male_Caucasian_20_BRH600196_B MaleVsFemale_NT_Male_Caucasian_21_BRH600192_A MaleVsFemale_NT_Male_Caucasian_21_BRH600192_B MaleVsFemale_NT_Male_Caucasian_21_BRH600197_C MaleVsFemale_NT_Male_Caucasian_21_BRH600197_D MaleVsFemale_NT_Male_Caucasian_21_BRH600201_A MaleVsFemale_NT_Male_Caucasian_21_BRH600201_B MaleVsFemale_NT_Male_Caucasian_21_BRH600202_C MaleVsFemale_NT_Male_Caucasian_21_BRH600202_D MaleVsFemale_NT_Male_Caucasian_21_BRH600204_C MaleVsFemale_NT_Male_Caucasian_21_BRH600204_D MaleVsFemale_NT_Male_Caucasian_22_BRH600190_A MaleVsFemale_NT_Male_Caucasian_22_BRH600190_B MaleVsFemale_NT_Male_Caucasian_22_BRH600194_C MaleVsFemale_NT_Male_Caucasian_22_BRH600194_D MaleVsFemale_NT_Male_Caucasian_22_BRH600198_A MaleVsFemale_NT_Male_Caucasian_22_BRH600198_B MaleVsFemale_NT_Male_Caucasian_22_BRH600199_C MaleVsFemale_NT_Male_Caucasian_22_BRH600199_D MaleVsFemale_NT_Male_Hispanic_20_BRH600206_C MaleVsFemale_NT_Male_Hispanic_20_BRH600206_D MaleVsFemale_NT_Male_Hispanic_20_BRH600207_C MaleVsFemale_NT_Male_Hispanic_20_BRH600207_D MaleVsFemale_NT_Male_Hispanic_20_BRH600208_C MaleVsFemale_NT_Male_Hispanic_20_BRH600208_D MaleVsFemale_NT_Male_Hispanic_21_BRH600191_A MaleVsFemale_NT_Male_Hispanic_21_BRH600191_B MaleVsFemale_NT_Male_Hispanic_21_BRH600205_A MaleVsFemale_NT_Male_Hispanic_21_BRH600205_B MaleVsFemale_NT_Male_Hispanic_21_BRH600209_C MaleVsFemale_NT_Male_Hispanic_21_BRH600209_D MaleVsFemale_NT_Male_Hispanic_22_BRH600195_C MaleVsFemale_NT_Male_Hispanic_22_BRH600195_D MaleVsFemale_NT_Male_Hispanic_22_BRH600200_A MaleVsFemale_NT_Male_Hispanic_22_BRH600200_B MaleVsFemale_NT_Male_Hispanic_22_BRH600203_A MaleVsFemale_NT_Male_Hispanic_22_BRH600203_B VaryingVolume_NT_50uL_1 VaryingVolume_NT_50uL_2 VaryingVolume_NT_50uL_3 VaryingVolume_NT_5uL_1 VaryingVolume_NT_5uL_2 VaryingVolume_NT_5uL_3 VaryingVolume_UT_100uL_1 VaryingVolume_UT_100uL_2 VaryingVolume_UT_100uL_3 ConstantVolume_UT_1_1 ConstantVolume_UT_1_2 ConstantVolume_UT_1_3 ConstantVolume_UT_2_1 ConstantVolume_UT_2_2 ConstantVolume_UT_2_3 ConstantVolume_UT_3_1 ConstantVolume_UT_3_2 ConstantVolume_UT_3_3 ConstantVolume_UT_4_1 ConstantVolume_UT_4_2 ConstantVolume_UT_4_3 ConstantVolume_UT_5_1 ConstantVolume_UT_5_2 ConstantVolume_UT_5_3 VaryingVolume_UT_10uL_1 VaryingVolume_UT_10uL_2 VaryingVolume_UT_10uL_3 VaryingVolume_UT_25uL_1 VaryingVolume_UT_25uL_2 VaryingVolume_UT_25uL_3 MaleVsFemale_UT_Female_Asian_23_BRH600227_A MaleVsFemale_UT_Female_Asian_23_BRH600227_B MaleVsFemale_UT_Female_Asian_24_BRH600219_C MaleVsFemale_UT_Female_Asian_24_BRH600219_D MaleVsFemale_UT_Female_Black_24_BRH600216_A MaleVsFemale_UT_Female_Black_24_BRH600216_B MaleVsFemale_UT_Female_Black_24_BRH600226_C MaleVsFemale_UT_Female_Black_24_BRH600226_D MaleVsFemale_UT_Female_Caucasian_22_BRH600221_C MaleVsFemale_UT_Female_Caucasian_22_BRH600221_D MaleVsFemale_UT_Female_Caucasian_23_BRH600213_C MaleVsFemale_UT_Female_Caucasian_23_BRH600213_D MaleVsFemale_UT_Female_Caucasian_23_BRH600214_A MaleVsFemale_UT_Female_Caucasian_23_BRH600214_B MaleVsFemale_UT_Female_Caucasian_23_BRH600218_A MaleVsFemale_UT_Female_Caucasian_23_BRH600218_B MaleVsFemale_UT_Female_Caucasian_23_BRH600224_C MaleVsFemale_UT_Female_Caucasian_23_BRH600224_D MaleVsFemale_UT_Female_Caucasian_23_BRH600225_C MaleVsFemale_UT_Female_Caucasian_23_BRH600225_D MaleVsFemale_UT_Female_Caucasian_23_BRH600228_A MaleVsFemale_UT_Female_Caucasian_23_BRH600228_B MaleVsFemale_UT_Female_Caucasian_24_BRH600211_A MaleVsFemale_UT_Female_Caucasian_24_BRH600211_B MaleVsFemale_UT_Female_Caucasian_24_BRH600215_C MaleVsFemale_UT_Female_Caucasian_24_BRH600215_D MaleVsFemale_UT_Female_Caucasian_24_BRH600217_C MaleVsFemale_UT_Female_Caucasian_24_BRH600217_D MaleVsFemale_UT_Female_Caucasian_24_BRH600223_A MaleVsFemale_UT_Female_Caucasian_24_BRH600223_B MaleVsFemale_UT_Female_Caucasian_24_BRH600229_A MaleVsFemale_UT_Female_Caucasian_24_BRH600229_B MaleVsFemale_UT_Female_Hispanic_23_BRH600210_A MaleVsFemale_UT_Female_Hispanic_23_BRH600210_B MaleVsFemale_UT_Female_Hispanic_23_BRH600212_C MaleVsFemale_UT_Female_Hispanic_23_BRH600212_D MaleVsFemale_UT_Female_Hispanic_24_BRH600220_A MaleVsFemale_UT_Female_Hispanic_24_BRH600220_B MaleVsFemale_UT_Female_Hispanic_24_BRH600222_C MaleVsFemale_UT_Female_Hispanic_24_BRH600222_D MaleVsFemale_UT_Male_Caucasian_20_BRH600193_A MaleVsFemale_UT_Male_Caucasian_20_BRH600193_B MaleVsFemale_UT_Male_Caucasian_20_BRH600196_A MaleVsFemale_UT_Male_Caucasian_20_BRH600196_B MaleVsFemale_UT_Male_Caucasian_21_BRH600192_A MaleVsFemale_UT_Male_Caucasian_21_BRH600192_B MaleVsFemale_UT_Male_Caucasian_21_BRH600197_C MaleVsFemale_UT_Male_Caucasian_21_BRH600197_D MaleVsFemale_UT_Male_Caucasian_21_BRH600201_A MaleVsFemale_UT_Male_Caucasian_21_BRH600201_B MaleVsFemale_UT_Male_Caucasian_21_BRH600202_C MaleVsFemale_UT_Male_Caucasian_21_BRH600202_D MaleVsFemale_UT_Male_Caucasian_21_BRH600204_C MaleVsFemale_UT_Male_Caucasian_21_BRH600204_D MaleVsFemale_UT_Male_Caucasian_22_BRH600190_A MaleVsFemale_UT_Male_Caucasian_22_BRH600190_B MaleVsFemale_UT_Male_Caucasian_22_BRH600194_C MaleVsFemale_UT_Male_Caucasian_22_BRH600194_D MaleVsFemale_UT_Male_Caucasian_22_BRH600198_A MaleVsFemale_UT_Male_Caucasian_22_BRH600198_B MaleVsFemale_UT_Male_Caucasian_22_BRH600199_C MaleVsFemale_UT_Male_Caucasian_22_BRH600199_D MaleVsFemale_UT_Male_Hispanic_20_BRH600206_C MaleVsFemale_UT_Male_Hispanic_20_BRH600206_D MaleVsFemale_UT_Male_Hispanic_20_BRH600207_C MaleVsFemale_UT_Male_Hispanic_20_BRH600207_D MaleVsFemale_UT_Male_Hispanic_20_BRH600208_C MaleVsFemale_UT_Male_Hispanic_20_BRH600208_D MaleVsFemale_UT_Male_Hispanic_21_BRH600191_A MaleVsFemale_UT_Male_Hispanic_21_BRH600191_B MaleVsFemale_UT_Male_Hispanic_21_BRH600205_A MaleVsFemale_UT_Male_Hispanic_21_BRH600205_B MaleVsFemale_UT_Male_Hispanic_21_BRH600209_C MaleVsFemale_UT_Male_Hispanic_21_BRH600209_D MaleVsFemale_UT_Male_Hispanic_22_BRH600195_C MaleVsFemale_UT_Male_Hispanic_22_BRH600195_D MaleVsFemale_UT_Male_Hispanic_22_BRH600200_A MaleVsFemale_UT_Male_Hispanic_22_BRH600200_B MaleVsFemale_UT_Male_Hispanic_22_BRH600203_A MaleVsFemale_UT_Male_Hispanic_22_BRH600203_B VaryingVolume_UT_50uL_1 VaryingVolume_UT_50uL_2 VaryingVolume_UT_50uL_3 VaryingVolume_UT_5uL_1 VaryingVolume_UT_5uL_2 VaryingVolume_UT_5uL_3 ConstantVolume_WT_1_1 ConstantVolume_WT_1_2 ConstantVolume_WT_1_3 ConstantVolume_WT_2_1 ConstantVolume_WT_2_2 ConstantVolume_WT_2_3 ConstantVolume_WT_3_1 ConstantVolume_WT_3_2 ConstantVolume_WT_3_3 ConstantVolume_WT_4_1 ConstantVolume_WT_4_2 ConstantVolume_WT_4_3 ConstantVolume_WT_5_1 ConstantVolume_WT_5_2 ConstantVolume_WT_5_3 Factors Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:No treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Urease pre-treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A 1_3-dihydroxyacetone 1987264.5780 1207499.4400 1651965.3070 1432440.6120 21623767.4700 1518984.4700 15630568.5200 1773131.8960 30867624.0000 11492611.1800 2323400.2290 1750079.3190 10163880.3600 1105170.9790 1094940.0550 1444471.7260 2120147.2660 1906874.5490 1124860.6260 1273134.3290 1131122.4820 899479.1557 1308391.7980 1486025.9800 1350854.9350 1636326.5340 1051732.3010 1008787.6410 1101923.1790 1057333.2680 615612.9204 1442756.1490 7150053.6430 71643713.6600 73899288.5400 73589580.2500 7915012.3510 615403.1698 27613623.9800 2689103.4580 20138590.6600 28681214.7800 1556422.2170 2037464.0000 1321008.1230 1-methyladenosine 8670994.7140 3064753.8570 3980544.1140 4280444.7430 5315684.0290 6074651.2290 3076427.6570 4544278.1140 7908488.8290 8545636.3430 8415355.2000 3069789.8860 4117279.0000 3927283.4860 4013169.6000 4491412.8860 4570479.6290 4404014.5430 7780384.8570 9212602.0000 4016172.4290 9940517.2570 9484014.3710 7392497.1710 13969958.3700 5473748.5430 6794749.9140 7600743.7710 1668375.0000 1813445.1710 4841895.2860 5391473.9140 1781196.0000 1977883.3140 449557.0000 973965.4571 6598470.4290 6336439.8570 2636246.3710 2414608.2570 4902475.1140 4776886.7430 3429326.0000 10650590.3400 2550725.3710 4146650.4000 1730638.8290 1845841.9430 3027847.3140 2941643.8860 3952843.9710 4867131.8860 4943724.3710 3991497.4290 12115093.0000 9015627.0000 2633563.0860 3744096.9140 1574278.9710 1676133.0860 812248.2857 3053431.3430 643343.4571 578417.4286 3361937.4860 2579364.1710 3858548.8290 4116017.8860 1858716.6290 2949343.4860 1894630.9430 3042556.3430 9457134.0860 9856868.2570 2940687.2860 2203200.9430 2057279.5710 2573081.6000 3597972.8290 4970933.9140 2573384.7140 8014159.9140 4780948.6290 5036479.0860 9864687.8000 10070764.7400 7024838.7140 6623263.4290 10323827.4300 10067349.5100 8025961.0290 9064390.4860 4453721.7710 5052542.9140 4660175.2570 5775113.9710 7226950.3140 6463128.8000 11234467.6600 11456845.0000 14143358.7400 15101648.3100 8810435.7140 9917518.4570 26350270.3100 25124350.0000 17490160.9400 17167243.2600 1918100.8290 4463049.6860 5861228.2860 8706332.0000 2498549.0000 2151620.0000 2884621.0000 2944529.0000 5270690.6570 6435243.6000 5128813.0000 3989220.0000 8969387.7140 9589828.3140 3066210.1430 4651763.4290 3090727.8860 4475220.9140 6568769.9710 7495018.5710 3689951.5140 3647398.2570 6341262.6290 6015610.6860 5866610.5710 5886343.4000 8283618.9430 8002257.0000 3650931.0290 3805414.0000 2401179.6860 1722181.5140 5718715.4860 5711368.7430 2686092.0000 2884143.0000 4636028.2860 4718985.9140 10208326.6300 12339266.5700 1886475.4570 5317161.6860 4898347.7430 4639677.1430 1822871.4290 4639496.9430 8403779.8860 7708197.4860 4810005.1710 5015463.9710 3448842.7140 5765846.2000 1-methyl-histidine 2763625.2740 2071250.0070 2676924.2660 223678.2858 279807.5171 239231.2261 827129.9001 807037.0201 799605.9910 13144980.5700 10923663.0600 13377272.1700 16266292.0900 19022433.3700 17710243.7700 17275446.8000 15428498.8600 9691373.3140 18490360.8300 21597598.7400 23829045.4300 15008221.8900 11115406.4000 15200202.0900 16106743.5100 9085487.5140 9936818.3430 7009708.0000 9554596.1140 19125595.6000 17826548.4300 20037563.4300 16707400.6900 24142878.9100 28517929.1100 21479012.6300 26420117.7400 12002698.0900 13747907.1700 19542572.0600 17009744.6000 3827822.4290 6061822.2570 768697.1143 1744403.6290 24529808.8900 24855428.2000 2555960.1710 3846611.9430 20817716.3400 20980752.6000 28149866.7700 30094236.4600 15323246.5700 20353103.2000 26048813.5400 15387465.2000 15404723.5400 15768137.3100 10305710.9700 12598271.4900 17256792.8900 12634336.0600 17439018.5700 14545085.6000 17643674.9700 16727255.3100 12043168.8300 14022487.3100 12604248.1100 12668361.2000 1173684.1710 1335854.8000 11025115.7100 9197072.9710 14125147.9400 16322107.5400 6212389.5430 8889305.5430 14752983.3700 14338445.0300 32630291.7100 31193451.2000 17091254.3700 17289283.3700 29319843.8300 28555150.3400 12839857.6000 13016970.1700 1531272.8660 1610785.2190 1659956.1340 118436.7867 127553.6229 111929.0251 3696304.8260 3919049.9620 4941308.4110 228269.1705 190060.8344 200788.6902 772956.9419 1296539.6040 645742.6533 13650699.5400 17014971.0000 20307998.1100 22178521.7400 36039088.6900 30686781.7100 20637704.4000 25276756.4900 27465451.6300 24702116.4900 39293578.6300 40159889.7100 14295125.6000 15804269.6000 16748601.7100 20185466.4600 15809051.8900 14214193.2900 11877452.7400 12452957.8900 21126543.3700 23770406.0000 19723433.4900 22761981.4300 54673498.2900 55072599.7700 41416894.1700 44345730.4000 14198676.3400 15872005.2600 23546784.9400 24997752.7400 6846325.9710 5652216.2290 2892527.1140 3500490.2860 19867491.8600 25658655.9100 3813808.8570 4253199.3140 44539748.2900 32114321.1400 43047277.0900 43224183.5400 22828815.4300 24649381.0900 32552461.4000 32928845.6900 30089058.4300 29984377.1400 24370197.7700 26023602.9100 21946618.3700 25533151.0300 34743976.7100 36101964.1700 22985810.3100 24551933.3100 20597571.1700 18887394.6000 34725718.3700 32370664.8000 1693899.7710 1941754.1430 14392492.9700 16499634.8900 21885046.0600 19154419.4300 29085792.2600 27796101.7400 22473899.4300 32721184.8600 57921855.6000 51881147.3700 41822112.4000 27474576.2300 37213179.1100 49468528.1100 6395162.5140 8766237.8290 2150400.5060 2043152.7150 2021753.7940 0.0000 0.0000 0.0000 2_3-dihydroxybutanoic acid 49217824.0500 44568364.0000 49640920.6000 2573326.4780 2777471.1660 2210143.3700 6366743.1610 5950179.1970 6676949.0260 28815656.4200 22733111.2100 28339219.4500 1197586.0790 1329497.7400 1233953.2130 23772439.4500 25627290.8600 27407823.9700 2499288.4390 2466769.5510 2351326.2470 5986487.7390 6460972.9750 6339674.5310 12371046.3200 12320128.0200 12410900.2400 1159327.5650 1328908.7540 1312014.9510 2_3-dihydroxybutyric acid 1 39744243.4300 42665053.7400 64204429.2400 69718007.1600 59168526.8900 68141971.2500 30529380.4700 62496661.5000 31130140.6400 45886439.8800 78783090.0800 56388250.3400 20863510.7200 38022714.2600 69063692.5700 27278687.4300 24041734.0000 29726575.4300 29855479.0900 34592597.6600 49414706.4000 30477576.7700 24902420.4300 29707029.3100 52292015.8300 65237559.4900 39617501.3700 28525727.5400 45257002.0000 44527119.7700 24238196.1100 16067364.8600 20767609.0000 22731088.4000 45307752.0900 28101708.0000 31422393.3700 42858510.7400 25663075.7700 64601310.0000 29529455.5400 72115668.5100 40417880.7400 19344072.9100 22556654.8600 30575823.8900 30460146.5700 3254132.7140 7649535.9140 2879460.7710 3247953.3140 27666001.0600 29261105.6300 3403005.2570 2234141.9430 46250795.5400 26225373.4600 46985035.0000 20593107.0000 20769354.5100 30287828.8900 28226685.8300 21477127.1700 24770624.8900 27290207.2000 46479532.0000 32942325.8300 20979735.4900 21754519.0000 30299517.6600 20313433.8300 20513053.8300 46798363.9100 10912185.5100 11962103.0000 86071855.3100 24960000.5400 1746823.6000 1733660.0290 26497771.8900 24828559.6000 66563618.2900 67886224.0000 6389610.2860 25435460.8000 27634024.1100 26938210.0300 35158997.0900 61152205.7400 67070745.1700 72484953.4900 27621260.9100 37738275.2000 47413989.5400 35076735.6600 41794062.6900 39758019.7900 38674457.8700 40246773.1300 39447737.4700 41597349.3600 38648889.2800 37948008.2600 36889577.2900 40054972.0800 41286412.1700 12523528.1600 39835161.0800 39266648.9200 37977664.9400 8024446.2860 9212724.1140 21085633.7100 22567056.0000 49184670.0600 50949468.8000 14238845.7100 13952157.2600 12526488.0000 11956847.0900 19732323.7700 23186375.3100 7477806.0570 8940972.4570 34115047.6600 43461367.0900 7895501.1430 7066407.6570 12047497.0300 13187993.9400 17531251.7700 15087754.1100 20091186.5100 23249702.5100 40337377.4000 33417118.8600 26633648.2300 24345530.5100 14559310.7400 15594070.2900 14166668.5700 11508899.3100 3237788.9140 2594667.4290 2847927.2570 3312328.6860 8288789.9430 11487199.4300 2091159.0290 2177398.0000 13586613.5400 12269293.2300 7112678.2290 7666510.7710 8556017.6000 11435860.3400 6382157.0000 7109668.9710 9323774.9710 9346914.7430 5778469.7140 5457376.0570 6468624.9140 6547640.2860 13609229.3700 13705176.6900 5328959.3140 5284368.1710 4473919.4860 3906721.2570 13809269.4900 13519555.0900 1768050.5710 2082247.3710 9310632.9140 10345156.6900 27290077.5400 27488100.1100 9193207.2860 8455684.2290 15350599.1100 15106355.0900 21238398.5100 21898678.1700 20628883.2000 18390964.8900 20800119.0900 24032529.4900 13254681.1400 17747939.2000 32480110.4100 66883637.3500 22268860.2600 33742406.9200 36221032.9900 44454367.2700 46160107.2600 33463998.5000 18866881.2300 16946924.7600 6823767.8590 9089875.0530 63181321.7400 46699879.1200 57645051.8000 2_3-dihydroxybutyric acid 2 20992047.1100 104717670.0000 104914606.1000 82334009.3400 41250141.6700 93131649.4000 37324716.5000 73292496.3500 37219693.2000 80490620.0800 114073065.6000 63539035.1100 30152653.9100 97218102.4600 93842388.4900 58043460.1500 55099695.7900 53231842.4100 57258428.7200 56268038.1900 58707006.8200 53838649.4800 53288106.6800 52653071.2000 55302919.9400 56476688.9400 28542100.1100 57010322.1500 56020398.1600 53642643.1700 45396595.4900 93237630.2600 47757975.2500 45760295.5800 35476635.7000 30217129.6800 56346931.2800 28231354.2400 50729636.9400 26022337.5600 51121198.9000 32353265.6600 98443370.9700 28543163.8800 84661605.5700 2_3-dihydroxybutyric acid 2 36112241.3700 33405909.4900 53207559.3100 62654400.4600 51638467.6600 44820894.1700 33341197.5700 36737936.5700 76743253.9400 89751361.8300 56278267.2000 52677104.5700 52103987.6600 56792605.3700 36228479.5400 51711212.8000 25608197.0900 31798359.3100 31645011.2000 37994027.6000 46602208.1100 13909293.1400 48272781.7100 46367053.7100 40334713.1400 73393666.5700 74631958.8600 101656802.1000 47001864.6900 46824574.1700 37717496.8000 50045175.3100 8049115.7140 7743536.9140 2672955.1430 3040550.9140 45313467.8900 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1571444.6570 1681631.7430 3744855.3710 3025995.2290 961756.1714 747403.3714 477199.7429 570683.5429 2995583.5140 4016598.7430 637386.7429 682618.7143 4553771.4000 4085580.5430 4331200.8000 4682932.6570 2326441.6570 3033541.0290 2761290.4570 3045223.7430 2198902.4000 2227726.0000 3518028.3430 3323030.6860 2355113.0570 2374665.0860 3215252.5710 3186114.0000 5735764.1140 5359631.0860 3904504.8570 3357896.4570 2458250.3710 2365958.4570 571490.8286 652308.4571 1757372.5430 1930976.0570 4851708.0570 4901199.0290 5907350.2290 5371819.0860 3443519.0860 3416116.0000 10811831.1400 11140680.5100 3750599.3140 3392266.1140 4521288.2860 4688540.2860 3022747.2000 4470557.6860 3-(3-hydroxyphenyl)-3-hydroxypropionic acid 19474625.1800 14848806.5500 18958754.2900 13330160.0000 12402162.0000 14034280.0000 16867997.0000 13767628.0000 14959139.0000 12523085.0000 12260721.0000 13041307.0000 12055143.0000 14535234.0000 14120514.0000 14417833.0000 12951685.0000 11893452.0000 1881984.4510 2107896.8180 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5229173.5430 5849444.9710 50097814.5100 67378361.1400 1866165.4290 1981341.1430 2502788.0000 2347292.9710 24953821.9400 27343725.7100 6860136.6290 9174049.3430 25151896.8000 27634760.8600 13848010.8900 13785095.2000 8512763.6860 8063115.6860 18819406.4900 18990407.3100 19028825.7700 18863118.0000 2888465.8290 2987809.3430 561005.2286 514238.1714 6002126.7430 5885993.0290 1041969.8290 1219299.1430 7245671.2570 7744422.3430 13463804.0000 13519969.4900 2044686.8290 1810714.8000 648645.9429 659585.0286 6776418.8570 6998292.1430 3651650.1430 3371846.7430 1337544.9140 1534426.7430 1373061.8290 1896099.6570 9523284.8550 8928383.0420 9362965.8460 816444.6007 872282.0997 869827.4202 14363570.0000 12774446.0000 13657691.0000 11612224.0000 12707184.0000 12471013.0000 13296602.0000 12231337.0000 13133234.0000 14327112.0000 11711772.0000 12050810.0000 13922019.0000 12639938.0000 14292076.0000 3_4-dihydroxybutanoic acid 9369916.5690 7504244.6280 9173177.8040 1111843.7500 1185160.5310 955219.4063 2724118.7050 2508396.8230 2835906.6650 4797360.5060 4892933.3870 5305223.4560 561358.2225 600117.8442 551641.6529 9595453.8520 10346361.5900 10969501.4000 1054917.4690 1017313.6590 992010.9150 2410343.9290 2607067.5390 2591983.6530 5010783.8520 4941069.5750 5030504.4520 465900.1882 545904.3283 546031.4138 3_4-dihydroxybutyric acid 8400760.2290 7433349.4860 4991141.0290 5478103.7710 9467424.4860 9526844.1710 5784176.8860 4739474.9140 9099289.2570 10315966.5100 6583336.2860 7182483.2000 6358839.5140 5570617.2000 9732389.7140 8562083.7710 6482243.4290 6657901.7140 17571492.5700 20876169.2000 10952655.6600 11787424.0300 10003116.3400 7231581.6000 11133708.8000 13126097.3700 16130302.3100 17000933.8300 5828735.7710 6506966.9710 9540753.4860 10406380.8000 1778164.1430 2233171.4290 1882352.8570 2110437.1140 5912169.0290 6003365.3710 1958896.4000 1258564.7140 8315953.8860 7891812.3430 9893233.3710 11019360.0000 3223597.1430 4529808.8000 5345682.4000 4558368.9430 5844725.2570 5659677.8290 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4374868.4570 6114582.2290 6938065.2570 6399176.1430 6523857.4570 4971315.7140 4704145.0570 8310256.2860 8166104.7710 9863069.1430 9997460.9710 6099964.4000 6057866.0860 4886810.2860 4280137.7430 4775005.8000 4612398.6290 1594872.4290 1021683.0570 4960402.3710 5400078.5710 12585568.6900 12690881.6900 7695099.2860 6908573.0860 5325480.2290 5199266.0290 14125082.3700 14695575.7400 7371302.5140 6750724.2570 6339843.5430 7317600.7710 6539303.7710 9070616.2570 3_4-dihydroxybutyric acid_1 25425304.0000 21529827.0000 21417129.0000 24998854.0000 26675516.0000 23470847.0000 25833853.0000 21398626.0000 24784157.0000 19752050.0000 22400754.0000 21473718.0000 24999929.0000 20873452.0000 19426027.0000 35472618.0000 35095282.0000 32510447.0000 34013894.0000 32853763.0000 35277141.0000 31909644.0000 31254486.0000 31293335.0000 35342580.0000 36220928.0000 36974359.0000 33352986.0000 32357021.0000 30962022.0000 25172124.0000 20529003.0000 19458818.0000 20487184.0000 15850780.0000 17890420.0000 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8446039.8290 9566048.8860 21367724.9100 19313095.0300 27761311.6600 18967333.0300 12572693.7400 15024972.4300 15957837.3100 12949465.9400 3224942.3140 2103938.6290 729223.0286 1120274.0860 8170359.3710 11646794.1100 1638691.6570 1484176.1140 10350404.5100 9283986.4570 6348372.3430 6048736.4290 5447205.4860 6579050.5140 8565467.9140 9510194.8570 6601845.7430 7930109.0860 7422745.4290 7175385.4570 8635925.9140 8239037.7710 6428029.1430 10081538.1700 3220698.3710 3291931.7710 2217321.5430 1970765.5430 5047671.2000 4122564.8570 621402.0571 845323.5714 3850812.4570 3726056.1710 17108459.4300 17783955.2300 6748703.7710 5514534.6570 7172446.2570 7644702.9710 24908052.9700 28937068.3400 8892975.7710 8081054.5140 5063513.5430 4636506.4290 5118785.6570 7651322.0000 7-methylguanine 14156529.5700 13826434.4000 13163592.4500 13268862.1100 11462364.2500 12522157.4600 13009232.0200 12107282.0800 13198958.7000 12462693.3500 13831306.1700 14492084.4600 14214237.8000 12662086.8300 12546178.5200 17686810.5800 20215503.8500 16184016.1500 18319150.8800 18640583.1800 20556315.8700 18920987.6600 17775008.0700 18164561.2500 19483564.5000 20553728.3000 19270118.0300 17426472.3000 16276236.4400 15747949.1300 16189175.3300 14495371.1400 15685885.9100 15591879.9600 16444950.6400 16060290.4600 17211587.8300 16525459.1300 16500296.1800 16390869.2800 14562835.9500 14862389.8900 15888160.9100 14782698.4800 16134956.0800 7-methylxanthine 12805421.6500 11366072.0200 13260197.6200 27524609.6500 23617964.2800 25142126.1400 31231074.4100 23922327.0200 27124582.1700 26519891.9800 23904643.4700 25057040.3000 25562971.8400 27910600.5200 24183741.5900 27349378.2500 25084192.6400 22479350.3900 1028299.3770 1219778.1940 997962.6108 3281234.7100 3126106.5730 3030771.2760 6758397.7130 6112327.4900 6582778.8020 694204.9739 664941.1719 588655.8900 13355376.6300 14350603.8200 15603490.4800 28740661.2900 28383803.9800 26565704.5400 28427210.2100 26338611.5700 29305247.7100 26457681.4900 24735429.2200 26232186.2200 27962431.5800 28787482.9800 29704722.0700 26634041.0800 25316065.6300 25047883.3500 860836.5497 805419.9013 974019.1260 2542451.5100 2932519.7210 2747743.1360 6069934.8760 6169656.9800 6177714.3700 351859.3237 409227.8663 408154.5441 30533282.3300 26923954.0100 28721477.5200 26323118.4300 24897098.2500 24925698.1600 31872696.9400 25223104.7200 29249036.0400 27579169.8600 26892852.1800 28211777.5500 33111731.1700 24799772.5900 31134885.0100 alpha ketoglutaric acid 6700531.6880 4186333.4130 6648634.5790 38302110.5900 47963903.8000 41400720.5700 43645529.2500 45993020.1100 52554264.2200 38774960.1000 50719965.2800 44978847.2100 47680029.3200 47799868.0100 40797186.4600 33178723.0400 43838785.0300 44697691.1000 559214.9436 790933.9144 508197.8391 1831868.7830 1792507.5970 1972912.4280 16601905.8300 14476643.6600 4710599.3140 5438892.3430 11938230.8600 11513301.7100 4469040.0000 6527184.2290 10602192.0000 12919887.5400 10296783.5400 12065493.9400 13644593.3700 7351509.9430 7233188.3430 6348736.9140 6883212.1140 7457184.6860 10551763.2000 7867979.8860 11329851.8900 7833858.0570 11874539.4300 8270993.3710 6620380.5710 7201410.5140 20249098.5100 24073895.7700 3949029.2570 4966824.0000 10991296.0000 13104104.0000 846984.6000 1793966.2570 1048940.9140 1212399.4000 12267660.8000 12491031.3100 1484012.6290 1195806.9710 8277518.8570 7862963.8860 12861648.2300 14566180.8000 20139690.9700 27135272.0000 4667592.0000 10786329.9100 6914974.6290 6677957.7140 3435410.7430 14113990.6300 8188699.2000 3893032.0000 6431621.0290 4808530.2860 4830223.4290 4975791.3140 5138374.3430 5926486.3430 7752972.9430 19866388.2300 356988.1429 382915.3714 2198770.0000 2796738.8570 2593913.3710 4649519.5430 1349329.4860 3514543.8860 4789979.8860 5030528.6860 9048504.0000 12096816.0000 4910823.7710 4797680.9140 3926203.2290 6560420.4860 3908862.1710 14779523.6600 3497934.8410 2918295.5280 3847445.1750 331466.6945 299979.5321 354889.4762 6672768.2140 7287693.5750 7675640.8400 50680759.3300 42719623.6100 48237791.5700 50299565.5000 50092224.3800 56574067.8100 48751286.6700 47743730.9400 48947536.7000 42741091.6000 44869429.7300 38333464.4100 49768101.0400 48660517.6300 47890946.7600 710839.9492 652072.8296 552756.3128 1408834.3500 1673304.8100 1564445.0590 12210138.2900 13929321.1400 5112300.0000 5594235.4290 14904374.4000 14948283.4300 8168497.3710 6618645.0290 13230206.1700 13974876.8000 10518616.0000 28695408.0000 5972662.2290 6828719.7710 8818916.5710 9835489.1430 10385908.1100 9043034.0570 9313482.2860 10018698.9700 20706797.7100 5267952.9140 9822079.3140 11500729.8300 10586661.2600 13806753.8300 31539110.1700 27705076.8000 4373399.0860 16939699.8900 16135057.6000 10613686.1700 2363942.7140 2408448.0290 1054158.4000 1378459.1140 8964586.7430 12915760.6900 724926.0571 1793303.2290 10519681.1400 34510211.8900 11773981.4900 11252069.7100 3966883.0860 5045695.5430 3958352.0000 4534376.0000 8568584.0000 19932096.0000 5236606.1710 4206781.7140 9432208.9140 9459152.9140 7025763.4290 9532880.0000 5639628.0570 5801747.0860 7692378.2860 6231850.6290 30247092.3400 3932490.9710 470926.0571 439726.6571 2485893.0000 3758775.0860 8582157.9430 8394726.1710 6367722.5140 5550336.2290 7063048.4570 6601855.0860 13342696.9100 13316959.5400 8373440.0000 7677943.3140 3907944.4570 5102552.7140 3632122.0000 5999279.5430 3231195.7810 3394841.2980 3221459.0460 273820.0193 298249.8551 309764.6111 39712132.4800 43793866.7900 34225660.4800 35947244.1800 35852827.8200 34943695.1000 40446104.1700 38031882.8300 34098528.6300 31961234.7900 43883145.5700 38064210.9000 46176745.3500 29049622.9400 40216468.3400 aminomalonic acid 2113128.4460 1670972.3210 1884397.2000 2527323.7830 3964647.0140 3608997.8310 3358324.4980 1861016.3030 2866659.7600 2591730.0100 181217.8121 2616030.8110 2538749.8770 2983865.5350 280490.2681 1990722.3900 2751524.1770 2397293.6490 19944.1758 0.0000 17102.9689 0.0000 0.0000 0.0000 1737550.8290 1524107.0290 660669.7714 720070.4857 1451519.1430 1490891.3140 1128820.0000 941104.4571 573853.3429 612673.6000 7175006.1430 7218786.4860 1177179.0860 561608.6000 2462376.8290 1167658.2570 434481.4000 466355.5429 924851.9714 1094834.3710 2383909.2860 2584528.6290 1190184.2000 828455.8286 2784484.0290 3277768.2290 3031033.5710 3681653.4570 819344.3714 833217.0571 5937054.2860 6720045.7710 213105.0571 230586.1714 106694.2000 135253.7429 1135851.4860 1146861.5140 97830.7714 113770.5714 1155059.7140 1112959.5710 2389260.5140 2684879.8000 770555.3714 1117774.4000 509128.5429 478286.3143 1557028.6290 1532724.7430 753810.2286 248890.0286 452913.7143 387495.9714 1401315.2290 877554.4286 247575.8286 724179.4000 889286.0286 431693.8571 398421.5143 685165.5143 93621.6000 106212.7714 221642.3429 654014.7143 411064.6286 408822.7143 199354.5429 365761.6571 274077.8000 281081.7429 2381973.4570 2489012.1140 374840.8857 408389.3429 444672.9143 325923.7143 677796.7714 884016.7143 916351.6803 719979.9678 908339.7488 50590.6650 0.0000 0.0000 7352041.8880 6659066.3650 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2376608.2290 1562775.3710 1533242.6570 568715.8000 464300.0571 1341315.2570 1314148.8570 103847.6571 127885.3714 463246.3143 492156.8286 8647113.5710 8709034.4000 792940.0286 702617.6000 1733330.8570 1666834.6000 3187664.2000 3364595.5140 3577956.6290 3288075.8000 1920356.7140 2163464.5430 5487356.6860 7856842.1430 1024063.4230 1839824.6480 1193378.1630 44654.5836 0.0000 0.0000 4147770.7030 4075134.1360 3145673.7120 3279100.1870 3094658.0870 2761659.2250 2049252.5870 2257039.5540 2315824.6740 2045124.3730 1960901.9790 2022553.5940 3242316.2180 1873040.4940 3101176.3080 arabitol 55734750.6300 42973951.2900 56120326.2500 59206177.4000 52575451.3000 52173575.5100 60515573.7400 63161536.6700 56701802.5000 59158403.1100 51983214.3000 62765780.1800 50149339.5400 51343374.8500 50418570.3500 60523431.1800 49087182.8500 48598776.8700 6057152.6220 6543682.5020 5636355.3920 15227700.0400 14352905.8500 16156014.9300 84721199.0900 76334618.7400 23094229.2600 25070696.9100 50472067.8900 52173028.5700 31358309.2600 26679936.0000 56039057.1400 61278910.6300 8722649.1430 9285733.2570 30421971.8900 27085880.0000 62682050.5100 56181917.0300 25265554.2900 26404676.5700 30780815.5400 35283892.8000 108659321.1000 101100884.1000 63615699.8900 46956443.8900 70263551.3100 76230832.6900 102122066.3000 101612282.1000 36483058.7400 40056115.4300 60401853.9400 65271770.2900 12132302.1700 14501389.5700 7739369.6570 8644696.6860 33785369.6000 34163520.9100 8246073.2860 8108301.2290 60404597.9400 56737750.1700 97662772.5700 106154180.6000 26836781.2600 36345686.8600 32738800.9100 29131243.8900 39295525.4900 37814565.4900 48282638.6300 52649715.2000 43480829.2600 36183751.7700 57404302.6300 38022474.9700 27376934.8600 28149447.7700 25837970.2900 28946311.3100 46531133.2600 45927272.0000 4723847.4290 4639460.6860 31339718.8600 32920944.2300 55647291.4300 61478706.2900 21870656.9100 35484308.5700 33949520.4600 35185149.2600 62745685.4900 68072494.6300 39854800.9100 39939499.4300 38882213.4900 35146239.0900 45133159.3100 55992814.4000 28867368.0600 30046051.1100 31877908.0500 3052030.1230 3585567.8620 3039706.6600 59547425.6000 61068782.1500 65685296.8300 63794085.4800 62454825.2200 61070391.7000 62891596.4000 63356479.3600 65222558.3300 60951841.6800 59879142.4000 57957268.8100 64107111.3800 64793950.9800 69048635.9700 64547154.6000 61922935.6200 61102201.5800 5681419.5590 5673412.3740 5429729.3790 13587133.7700 15018727.7600 15076832.6900 66851038.8600 75504994.2900 24589655.7700 26055958.1700 66464385.6000 69197268.1100 35139700.8000 33968675.2000 63822398.4000 62739906.9700 102434519.8000 10037773.9400 22159298.7400 25726828.3400 66997384.6900 82501921.6000 35594112.0000 32561347.7700 37749402.0600 40654024.5700 122997437.3000 117008670.2000 51506820.5700 56925952.9100 141097119.1000 117929023.5000 89142500.1100 82010367.5400 36127460.8000 37838257.3700 79174572.3400 67048451.6600 10729700.7100 8723173.0290 7622749.7430 8416762.4570 24836044.8000 33581309.7100 6773900.2290 7149314.0570 75729426.7400 71457506.7400 94449720.9100 101008439.8000 26697071.0900 34791283.2000 40153159.3100 43496296.6900 44967348.1100 45318592.0000 66384967.3100 63596798.6300 46889918.1700 47191165.7100 62714733.7100 61865928.2300 28729914.9700 28973708.3400 34317701.0300 30199041.8300 43250781.1400 41780053.7100 4672443.4290 5439094.6290 31042660.1100 32671292.8000 75674263.5400 75896807.5400 60513552.9100 55354856.2300 45710696.9100 43776827.4300 88552525.4900 92732242.0600 58072059.4300 53500372.1100 34902862.6300 39946935.5400 38117815.6600 50181825.0300 29567812.1500 28535873.2800 30280231.3800 2621137.4040 3066633.9770 2956236.5340 57827688.6300 48397837.5400 57993191.3500 43162931.9100 47037817.0600 50390897.2500 49050866.3000 52171249.5500 57381052.4200 59150212.5200 56046811.8600 55256673.7800 53723303.2600 53739152.9400 52972663.6800 benzoic acid 1483089.7660 894242.3236 1417508.5810 2704974.2570 3761133.7870 4162068.1450 5309097.8440 3006530.4290 4651251.5890 1350912.9090 4932418.3090 2504713.4440 0.0000 3616337.7970 3584610.6810 2812919.4430 3679566.3400 3757696.0290 234095.7869 260124.5650 207458.9165 364013.3377 406464.9646 354580.6516 8411069.3430 7143532.6000 7900559.6860 6092262.1710 8461656.0000 7992566.6000 4271980.7710 3191312.2570 7093325.3430 41333863.3100 6397559.6570 8291406.5710 19223357.0000 17132234.5400 3931125.4290 3774274.2290 4661563.2290 5711337.9710 8688896.4290 8735002.7430 39170979.0300 27419848.7700 17618109.7100 12887119.6600 15142390.9700 14796729.8600 18339038.6300 15552708.5700 3498722.2000 6542400.8570 7053262.8290 8339945.8290 4664398.1710 5156001.4570 3690812.2570 4432000.7140 10736156.0900 10586331.2300 4702362.2290 4068815.3430 11745214.4000 7974724.3710 8511054.0290 10608293.0600 4467830.4290 4793751.6570 4696121.3710 6351081.2860 7803134.4860 369750.7429 310824.5714 22401689.6000 5376954.4000 6072823.8000 7043791.0860 8387264.3430 3520590.1430 14069093.6300 3803815.6860 4322016.9710 573720.8857 6898777.2570 301427.4571 2465150.5140 301318.8286 2327395.7710 20612416.0000 2277929.3140 241861.0857 6090614.1710 5520127.0000 5508384.9140 10081623.1100 7304757.2000 32812695.7400 758723.2286 2813948.6000 5703965.7710 5193409.5140 8231469.6570 697126.3459 645595.2452 707567.7663 160086.7270 138456.7288 169305.1414 1941224.4170 2112945.8540 2244253.7360 5596631.1330 5045007.8210 4991700.8250 5273759.5380 5115614.8810 5450889.4070 4947467.1050 5116569.1790 4795271.3750 5390286.4360 6810839.1600 2150022.1740 5222245.9120 5482842.3890 5174693.1780 298265.7483 295858.4346 293459.2606 586911.0619 631852.9040 626722.0339 1685125.6290 2620308.4860 1631046.0860 1442012.1140 9905387.7710 12432525.4000 1766660.1710 1758864.4570 2066031.2860 2205269.3710 2274954.6860 2445217.6000 16162971.5400 19416049.8300 2502925.2290 2740407.1140 1562506.8290 1810855.0570 1814639.2860 1771942.5430 5727215.0570 3600567.2860 10244003.3400 9590428.3140 29417296.3700 23681172.5100 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601611.2624 3582528.9240 2508585.5030 2364061.9650 457570.7719 468175.6799 460941.7414 852407.7615 971990.0879 1029930.5360 4349111.4290 4382136.5710 3119188.0000 3107175.4290 11710223.7700 35132224.0000 4321381.0290 3945643.3140 5164119.0860 4829275.6570 4714459.4290 5305976.0000 2212090.5140 2487616.2290 3881435.8860 4016273.8290 3972856.4570 3883962.4000 3499051.6570 3397784.3430 6027382.1710 5589626.0570 5302284.4570 5667947.6570 9287256.0000 27066036.1100 8727122.2570 10529375.9700 3029097.0290 3137426.8000 9685916.1140 5915489.3710 1543883.2000 1343809.2570 1212131.1710 1261394.2860 2998888.4570 2220765.8290 1171896.4000 1045226.7430 28980712.0000 16808536.0000 3640449.5140 4248504.9140 1857311.6000 2642659.7140 16380264.0000 18619588.5700 5101960.4570 5622009.3710 4419946.7430 4499405.9430 4385320.8000 4010470.4000 6226300.3430 6220499.8860 2752679.6570 2275645.9430 2620678.5710 2514724.6860 4160110.1710 3988688.2290 900113.6286 944719.7429 2843538.0000 7825517.0000 18790924.3400 19981744.0000 25932979.2000 16816012.3400 8824807.0860 8069538.0570 7076111.0000 6674624.2290 12385998.8600 15975698.7400 5379789.9430 5222876.8000 9424319.0860 26049600.0000 1575678.7540 1448989.8870 1690703.9080 221275.7230 264545.1189 247564.5102 D (+) galactose 5857408.0000 5398253.2400 6019016.0000 575145.0000 632069.0000 554208.0000 1743402.0000 1628538.3510 1811065.0000 3417288.8860 4017454.0000 3543192.1430 304284.0000 352655.0000 297151.0000 9724645.2550 8220897.5050 8745400.8190 1283048.7790 1293023.1400 1275555.2770 2147701.3540 2285824.4630 2408916.2390 3997695.1650 3834380.8470 4191576.2010 920142.7964 1005242.4730 989786.1994 D-glucose 1 26326333.3375 18034147.0000 26768004.8415 48319616.8405 47104079.2885 47916302.0120 55353177.3190 52065334.3620 53028860.6905 47881934.2730 47911410.1450 49799271.0285 43784703.0535 49073107.9730 48719692.0405 49728288.4555 45665903.2210 45368447.9160 3082290.5664 3432924.3654 3022513.7292 8020432.5270 6855789.0085 8283668.0550 52940643.6600 47399341.7100 26683224.9100 28882653.2600 61885941.0300 63128521.1400 37553379.6600 32299647.0900 41824885.9400 44861481.1400 28443481.6000 12428547.2000 12475602.2900 11005604.1100 58406068.1100 53475032.6900 2193707.0570 2373398.4000 26258400.4600 29961759.5400 68757123.6600 62813239.7700 68888722.7400 93619512.0000 73250215.3100 77375645.2600 98604882.2900 100843893.0000 44851064.6900 49189571.6600 3330597.4860 3757162.9710 14121352.2300 16771736.2300 7424506.9710 8424773.4860 27117317.4900 1504783.3140 15145338.2900 15040466.0600 2695345.1430 45662865.3700 59760969.1400 65136830.1700 21372554.9700 29301936.4600 29460592.4600 25892522.9700 36128231.3100 34947630.6300 22259606.4000 23892144.4600 45508626.2900 37135484.3400 74795134.1700 50493761.8300 26818544.4600 27133142.8600 20203297.8300 22733281.8300 45783883.8900 45506069.0300 4563630.7430 4495325.4860 24516380.3400 25743984.0000 38430751.0900 41411678.1700 10747853.2600 17115838.1700 2278960.1430 34137846.8600 35202764.8000 36988013.7100 38296266.0600 37815992.6900 32878260.5700 29437232.9100 34032468.1100 43876218.5100 13519433.2200 14211800.2225 15027146.7285 1592435.8033 1945189.7993 1591485.6606 37048528.0060 36078523.1300 39502225.4520 78719908.0000 74475666.4050 68961398.6150 77202129.0850 73867917.1350 79802577.5350 71921952.3100 71194644.7700 69855715.8850 73642822.7400 76141069.2900 71217141.6600 73065325.8800 75290770.5050 70461959.0350 3608988.9178 3665934.7626 3639423.0656 8583503.8195 9644480.5385 9659001.5035 44997609.1400 50967048.2300 30284886.8600 31590591.0900 73757478.4000 77120475.4300 49125242.5100 46431214.6300 52512680.2300 51260284.3400 17039597.4900 49376762.5100 9729233.3710 11312405.0300 87038652.3400 105365529.6000 4263858.5140 3949694.6290 34162135.3100 36798295.3100 94491106.7400 93973449.1400 7215576.2290 7993753.6000 135545552.5000 127572286.2000 141454587.4000 130667944.7000 47096576.9100 50082717.2600 150590880.9000 134830538.1000 13082701.7100 10416016.4600 8027108.1140 8838444.8000 23410858.9700 1403714.7430 13343726.1700 13868583.3100 63946263.7700 59853212.3400 62281594.5100 70426653.2600 21848944.4600 28814372.5700 1640641.4860 1768941.8290 47261308.3400 47394179.6600 33398254.6300 31720745.1400 52894884.5700 53042479.5400 80739240.2300 79246515.2000 31079422.1700 31583567.0900 32709403.4300 28762093.7100 42019362.2900 40619422.6300 4979877.6000 5801110.1710 29762264.6900 31303122.7400 54936597.9400 55310734.6300 31201331.2000 27941966.6300 46414390.8600 44596563.2000 68318138.5100 69783971.6600 59758095.5400 3013477.7140 30823871.0900 34899736.6900 29119625.1400 38848554.9700 18267843.1610 17180428.2820 18545654.8485 1870002.9612 2091869.5759 2003222.3771 49230720.1560 44374795.3510 44944494.8000 42296358.2770 45020359.3005 43979836.3720 47309354.2070 46570003.6860 47905207.6915 50792562.1635 46723829.5575 47219311.3405 50286912.5205 45887051.8740 49625546.2640 DL-3-aminoisobutyric acid 17084476.0200 13670130.1700 17204808.2300 18371821.3100 28744807.0500 23517806.4400 31208526.9100 22424945.7300 26777366.1100 22368098.3900 27018051.8900 20172649.1600 24257605.0100 26320149.2200 28385865.9600 19734916.4700 25613553.6400 23157859.2600 2137787.9590 2265700.1680 1869239.1380 5207550.4210 4748198.4160 5452746.7380 6233849.4290 5506961.4860 2112202.6570 2347803.7140 2837337.9140 3097538.4000 5976723.8860 5018778.6860 31651062.4900 34846596.6300 15478197.9400 14182172.9700 7780503.4290 7161734.4000 4676740.2860 4086712.1140 4669726.9710 4233199.2860 14392259.2000 16339162.0300 12599045.0900 11396426.4600 12852745.1400 7067469.8570 5325191.2290 5396997.2290 17897514.7400 17994657.3100 5900713.4290 5696978.6570 7661791.9430 8986106.0000 1867516.8000 2128551.3140 554781.0857 842737.6571 20721740.1700 21047423.6600 996867.0571 977097.5714 30228113.5700 28340453.7100 8016094.5140 8811119.5430 5155221.4860 7551330.2290 81316500.5700 74791154.7400 999577.0857 2586798.4860 7068391.0860 8044893.3710 2616727.5140 2249072.3140 7145048.8570 4786809.9430 5499239.1140 5913175.1140 7335881.2570 8168841.2570 30320937.0300 30229929.3100 1048230.7710 1199965.6290 4390323.9430 5473871.3140 13647089.4000 15304176.7100 11148427.4900 17686759.1400 8492088.8000 8590446.3430 10392257.2600 11593767.9400 10100068.8900 10322693.9700 13792053.0300 12365264.2300 6633572.0290 8110768.0570 9352641.4110 9747849.0910 10334314.1800 1061424.3860 1170686.1380 1057237.2110 17041510.8900 18130926.0400 19089900.7600 38964033.4400 34528158.0400 33660335.8400 34066847.8700 31530601.3800 36513590.5200 30755229.5000 28206214.6100 28249775.5300 35849934.4600 35398146.6900 27677694.5400 33514236.8600 32461148.6100 30574441.9600 1544832.9060 1538593.3760 1485814.7690 4092460.0180 4006343.0510 4407767.1800 4705747.1430 4710017.5140 1834350.9140 1766095.2290 3591420.1710 4736354.8570 6674303.2860 6069478.8860 26684674.5700 31270521.0900 10092742.7700 14489253.8300 5923269.6000 6943306.7710 4909553.2860 6074961.3430 6139192.1430 5625964.1140 16850387.6300 18101132.4600 15291294.4000 9083656.9140 6873485.6290 7274878.6000 9782192.2000 8208564.1710 18921467.2300 12502109.0300 5821327.4290 5600882.5710 10987380.7400 7898486.3430 1492016.6570 1094690.6570 860088.2000 907168.7714 13416150.5400 15410433.4600 841211.4857 639635.2000 33384314.4000 35397524.9100 5383088.0290 7286903.9710 4560166.9140 7322127.7430 38533540.2600 42213188.4600 2673372.0000 2749347.0860 9215667.6000 7381912.6000 2990349.9430 2747731.7430 7671081.5710 7436006.6860 5217280.8290 2899617.6570 9189625.7140 8050649.2860 21715379.4900 24448950.4000 1195431.7430 1458648.5430 4869734.9710 4561118.8290 20244727.3100 20179838.1700 30560684.7400 25216085.0900 11620585.6900 10026834.5100 8545684.6000 12935884.3400 15783436.4600 14663418.4000 11511607.4000 7685968.5710 4986459.4860 7516177.4290 8270260.6270 8110081.8390 8370674.8980 657742.5483 780765.6790 765078.2470 23060055.0400 25200695.4200 18327463.6200 13283548.4400 21163009.4000 21204442.0700 26922094.7600 19723990.0800 18659436.3200 17563154.5300 18965918.0700 18619438.0800 28869099.5300 20177174.7700 28747161.3400 DL-isoleucine 5035865.4340 8411246.1240 8971598.7490 875791.5004 427964.1736 1880679.0470 1571695.5570 757658.4684 48734.4321 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 23599602.5100 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2816265.6730 0.0000 0.0000 106291.8812 180524.5723 169607.3268 4167077.3920 4303027.5070 4946976.1760 447152.4783 436345.8102 414312.2314 1047460.7030 1156180.4570 1050348.7780 2484067.4290 2812993.2570 1925242.9710 1896992.1430 0.0000 0.0000 2483006.9140 2457565.7710 3147141.1430 3161812.2000 5732551.5140 6699236.5710 765997.2571 898771.7143 2534942.4000 2697851.6570 1401977.2570 1221078.2860 1434542.1140 1463451.2570 5796868.1140 5911113.0570 2465401.2570 2765360.2290 8749814.4000 6324606.9140 6436309.8570 6291204.5140 1897889.3140 2033141.5140 4932672.1710 4342040.6290 604152.2286 490242.0571 445173.1714 527899.7714 1513490.2860 1569245.6000 0.0000 0.0000 0.0000 0.0000 5568117.0000 6198559.0860 1631433.0860 2169941.3710 0.0000 0.0000 2511298.5140 2347044.5140 3049343.8290 3083850.0000 2632479.9430 2596693.6000 3436938.5140 3393926.9140 2339737.4290 1886937.2570 1897408.3430 1664473.8290 1461312.6000 1403003.0860 300662.7143 348642.7429 1539899.2570 1661329.2570 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6467164.4000 6364044.7710 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2097717.6170 2108560.9200 2040145.2750 213040.8228 212734.5334 235175.9727 D-lyxose 12987922.9000 6570186.8960 8335582.8910 15422459.5500 17943558.5700 21590824.4500 22297291.7600 16498204.8700 25275025.2900 15682043.0100 20321993.2800 15904876.8000 16356210.0900 21142570.2500 18075712.9800 15870096.1100 17466960.6700 18717495.8000 1558567.1230 1586574.8470 1368882.8050 3553675.9470 3432606.9140 3451220.2190 4943527.4000 7017426.2540 8338029.1400 845621.9238 902675.5275 827132.4300 24943234.7400 25944872.8000 27883167.0400 31498251.4600 31579383.9000 29524795.2000 29407517.9900 29355166.5700 31395171.4800 28504846.7800 26762295.8600 27279411.0400 31333168.1000 31168060.4700 20219844.4600 29507618.2900 29130017.2500 28289751.8700 2405955.0020 2294653.4710 2061178.6900 5750093.5290 5542030.0720 6159829.7850 12616879.4600 12203958.6600 13643267.2500 880162.8550 1001246.9230 1120920.5940 17192607.4800 17682642.9700 15057531.8400 13614802.8100 15568588.1900 14318386.2300 16220335.7000 14824685.0200 15250908.2300 15219842.3900 14215537.0800 14521248.9500 19344027.3700 14646281.6900 19291349.0500 D-malic acid 1734244.9610 1850810.3670 1634386.8410 229600.1844 216681.2354 228171.8057 363928.9647 356773.6899 326810.0838 989520.8804 608641.6441 618859.1426 188848.9886 189289.7595 216192.8357 542088.1284 149124.6937 658649.3251 203190.3805 199538.1343 224254.4957 231437.9879 253114.8553 205502.0348 387754.2692 408990.0082 302763.9651 178498.6635 196542.4925 184225.3019 D-mannitol 10713644.0300 7734444.5710 11248597.9500 1042410.0970 1262965.8600 1146445.9120 3006995.4740 2813886.9330 2863986.1870 8855065.7140 7763376.9140 4957267.6000 5410854.8570 9867121.8290 10319629.7100 8844407.1430 7611642.1140 7826970.5140 8450717.0000 5276349.0290 5399393.8290 3218650.5140 2863151.2000 8754494.0000 8228423.0000 1353371.0000 1330860.0000 7407926.6570 8619163.0000 10690112.0000 9993729.3710 43111525.4900 32408752.4600 12596047.7700 12155482.5100 17317992.0000 18425952.0000 7706613.0000 8604123.0000 110767506.3000 21369136.6900 2484296.4000 2965550.8570 1343193.5430 1451466.9430 4970758.2860 5115560.1140 2506289.2570 2475012.1140 8086066.7430 7612271.5430 11063755.0000 11787022.0000 3388145.5140 4744725.8290 5090840.0000 4282556.1140 6326539.6570 5981502.9710 4503365.6290 4517045.7140 8607708.8000 6999257.0290 12423077.0300 8496889.2570 4044311.5430 4219966.9710 3725546.1710 4180025.5140 7664611.4290 7590862.4570 980442.8000 954919.3143 7481541.0860 7747385.6860 6498110.9710 6980738.9710 2033735.5710 3142431.0570 9277667.9710 9543928.4000 7526272.7140 7764230.4000 6341906.2860 6394113.6000 5650791.9430 5028762.3430 5686450.0570 7151876.6860 6000568.4990 5950411.0730 5975855.9530 526791.9569 686801.2289 565468.7437 14101271.1100 14017611.9400 14571370.9700 1257973.5510 1283561.7610 1222762.1580 2931273.4240 3183407.8900 3163342.9380 7341944.6860 8687889.9430 5724703.0860 5927478.7430 12364518.1700 13082205.7100 11287264.5100 10988536.6900 9699979.0000 9436444.0000 7834900.1140 8983219.6570 2454693.9430 3651692.8000 5884262.8570 7005759.5430 1929649.0000 1786651.0000 10124983.3100 11224733.1400 15186000.4600 15141409.8300 53862686.8600 59602129.1400 23835668.1100 23191050.0600 16056893.0000 14598472.0000 3041046.6290 3119065.3710 7143196.8000 22038746.0000 2315061.1430 1870737.9430 1390242.0000 1587986.3140 4152323.4290 5602656.9710 2243949.4570 2365353.3140 10692330.2900 10210331.6600 10273968.0000 11476312.0000 3471420.1710 4750223.2290 38461911.3100 41666067.6600 7921303.4290 7998021.9430 5976644.5710 5998360.4570 9210769.4860 10137923.2000 12356254.1700 13499851.2000 4173855.3710 4951035.8860 5417751.6570 5055109.8570 7049612.3430 6869014.0570 1070735.8570 1265183.3140 8750790.5430 9227938.2570 8952840.1140 8981207.5430 5743633.7710 5082896.3140 6834215.2000 6820889.4290 13758131.7700 14361507.6600 9994667.4290 9106207.7710 5131312.8000 5792733.0290 4731583.2000 6443726.8570 6431714.9470 6248147.0220 6524802.9210 643681.7244 721781.1220 723814.5491 D-(+)-melezitose 1564029.4570 1228092.5710 67474.7714 178534.7429 807005.9143 277392.5714 187098.6286 142338.2571 205980.0000 306022.0857 239008.9429 287142.9143 204708.9714 187400.6857 627841.2000 784290.9143 137376.0571 135162.0571 267564.1714 462755.3714 1224041.2290 1194156.8570 1871726.1430 1073714.5430 411765.6857 513086.0857 1711405.6000 1935052.5710 186682.5714 178355.2857 326235.5143 566484.9429 63592.3143 80291.3429 0.0000 72931.8571 556236.9143 557551.4857 120061.8571 127373.6857 652030.5429 613971.6571 284015.0000 317761.0000 93588.4000 184278.1143 124583.3143 88756.0571 421532.9714 427416.7143 222381.4286 326548.7429 622066.8000 341010.4286 631512.6000 304201.2857 174335.7143 228727.3429 259489.0286 277384.4571 229509.1429 256906.1714 0.0000 0.0000 58947.8857 68334.3429 129757.3143 92904.0000 128138.4286 187295.4286 169744.6000 152460.9429 194469.1429 241570.8857 53418.9143 67212.3714 151784.0857 67133.9714 236642.0571 383494.4571 1207921.6290 1506883.4570 56291.4286 64675.1429 466658.4000 376747.7714 244102.8286 217253.5143 343035.6857 316461.2286 264305.3429 340702.1143 174180.0857 198888.8286 739131.8000 1003381.4860 361405.2571 227331.8857 698812.2000 775775.5143 1533358.3710 1783881.0860 1414362.6860 1645061.2290 1228665.3140 1057074.7710 2852012.0860 2334357.7430 216493.8000 217248.6857 917713.2857 653744.1714 59339.3143 14725.1429 29515.8857 25183.9429 522204.4000 756114.1143 104588.5429 77258.9714 922601.7429 837136.6571 671525.7429 323157.4000 146522.6000 148460.9714 163321.5429 195494.3143 544496.7143 575678.7714 555413.1714 492746.2286 677308.0571 697173.9714 835579.5714 774109.9143 224186.1714 171452.1429 381063.7143 308325.8000 257601.5143 253282.8857 0.0000 0.0000 85425.0571 98397.1429 254995.0000 256578.0000 456160.8857 359618.7429 231222.2857 207930.6857 329846.7429 391958.2571 167206.1143 140268.6857 68655.0000 89914.7714 281670.9429 228867.2286 D-sorbitol 114012018.8000 90856952.8800 115477881.7000 19303361.0300 19783701.0600 19770625.5900 25725913.5000 21413364.2900 23066524.6900 19800710.7500 19172714.6000 21024559.6400 18451653.4500 20240796.1100 21931394.8800 21393633.6900 19636748.4800 17536629.9300 13044139.4600 14210074.2000 12833772.5600 33733056.1100 31911251.8900 35703994.7400 62818744.6900 56339674.5100 105640734.9000 111948099.2000 26219766.0600 27338169.1400 41108958.1700 35633586.2900 119056195.9000 8543102.6290 119251234.0000 120198321.8000 21927217.0300 19637767.8900 8685997.7710 8291707.6570 18536108.8000 19427675.7700 15192250.8000 17248396.4300 69344979.2000 64593764.5700 66802701.7100 50195715.2000 71681757.9400 75677930.9700 17148664.2300 18798846.6300 7481072.7710 8351972.5710 19066034.9700 20734572.8000 6094656.0570 7290455.2000 15546369.5400 17307551.2000 33277092.4000 33911668.1100 19420342.1700 19248050.2900 40004843.5400 37887645.7100 11202067.3100 12415105.7700 65142362.0600 87049823.2000 5272987.9710 128514859.5000 21523293.2600 20856959.2600 67763140.5700 72495883.2000 42332101.0300 35003340.1100 35130508.5700 23938658.5100 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18679342.7900 19664783.5900 19728467.9000 21396225.2700 20321790.3900 19478792.4700 21390998.3300 18269763.4200 18638115.9000 20562370.0100 19910183.3900 21781416.7500 D-threitol 169370478.9450 147563085.1450 173801025.0900 345470513.0000 221508086.0000 242898911.0000 282062239.0000 348119466.0000 237074306.0000 339285765.0000 215399020.0000 382713060.0000 222351886.0000 240542698.0000 254759079.0000 366569203.0000 217480195.0000 209949086.0000 30346785.8905 32229356.1555 26659208.1585 67993268.7240 64404860.1655 71091328.7360 60140783.3350 53893034.6300 18004747.0020 19671956.3130 44433906.9700 45325502.8600 26305093.2850 22619073.5300 36025356.2300 38607764.1550 44563186.8850 47625039.1450 30029719.8130 26114349.4300 34498232.0000 31307385.1400 22732856.5165 23803382.1135 22464588.8855 25975323.0865 649354773.7500 639648914.3000 52559613.8300 38729111.7155 46836446.4550 52562706.7400 72619979.0200 75628443.0800 20789587.4580 23105810.1135 38830161.3700 42326415.3150 9478499.0550 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22920537.6000 25056648.9250 41564333.7150 41777303.5550 30300250.5700 27800810.9100 34178892.9000 32867081.4300 55305194.8000 57663692.6750 48594942.1150 44790166.1150 17160245.0985 19418518.8705 24199370.6865 33162699.4270 68388712.9700 67483372.9350 69754605.8450 12863354.8280 14907855.8420 14577889.2805 367613681.0000 225787013.0000 373990571.0000 309385820.0000 333224309.0000 355461417.0000 295065600.0000 361555200.0000 339223660.0000 383576626.0000 334168540.0000 340230200.0000 243966663.0000 358910394.0000 258469992.0000 D-xylose 1 33866644.1150 30021695.5400 9238008.2265 10012021.0300 31216982.4000 31935593.1400 15109345.6015 13046213.2550 25518615.0850 26640555.2000 24900625.8300 26301242.5150 14528823.6550 12782368.0145 19982056.6850 18017400.6300 12705822.1730 13278110.8550 13809736.4595 15898501.2600 28049349.4850 25774782.1700 23215003.8850 17388302.1700 42326269.2600 46222460.1100 32625628.3450 35087376.0000 16148202.0595 17603806.9700 46700165.9450 51150262.8550 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17854935.9100 19202919.5100 18128532.1100 17723118.8000 19071695.0100 17984416.3300 18193147.7000 19609060.4800 18111347.9500 20077903.0800 lactose 1 10906104.2690 7087490.8440 11399712.1080 20409192.0350 20824937.2210 19373951.4365 24472833.9055 21965259.1195 23061028.0840 20310993.9245 21480804.4550 22097036.0460 18543149.8685 20570932.8950 20653972.1000 21444352.3965 19571743.7335 19112964.0335 1015741.9810 1176122.4290 1134353.3269 2465837.8162 2329342.9824 2547421.6828 12144970.7400 10841620.8000 7059978.1430 7691576.7710 6533261.8860 6957817.4860 5518441.2000 4731927.8860 9892463.0860 10633506.9700 6303551.3140 6084221.7140 12934373.6900 12098576.5100 14149046.4000 18056838.8600 9804276.4570 10196771.4900 24658213.6000 29341906.1400 18174435.8900 16953031.0900 37675589.7100 30241586.2900 34251673.8300 36215506.0600 20943486.1700 21407760.0000 7445138.3140 7991880.1710 7759962.5140 8556281.1430 2186706.9710 2458759.2860 904100.9143 1375548.8290 7216607.3710 7484391.2570 102999524.4000 103040213.9000 14216674.9700 13594073.8300 6213425.0570 6692756.6570 3533752.1430 5289083.3140 7187517.6000 6235068.1710 11316600.0000 11056224.0000 3929729.7140 4362772.5140 19476016.0000 15851555.9100 134724442.7000 108442007.3000 4210810.8290 4340150.2570 4547733.9430 6182626.5140 6734603.7430 6622929.4000 922810.2000 955851.2286 5266671.3140 5593475.8860 7429645.8570 8118034.8860 2163840.7430 3327318.8290 7500077.2570 7464186.2860 9169502.4000 9559156.5710 4285145.0000 5782548.6290 4793762.1710 4490257.9140 6632116.6570 8483796.8000 4915990.0910 5754499.6755 5736495.5760 692961.3080 765871.4019 544696.7423 73066056.9050 72829043.7000 71477553.6100 115361729.8850 115221237.9600 108695837.8350 117594279.7650 112879859.6500 118901555.5100 112157172.8100 110311598.7250 112638177.0500 115341487.0100 117938416.0500 119617326.4900 109880341.3550 107512981.0900 104886643.8600 49789556.7650 58181483.7800 52898763.5150 53162906.6250 57508832.9950 61860150.2850 102561785.6000 106633155.0000 97297515.4900 98836988.9700 82760922.5100 88383318.8600 104128252.8000 100215488.2000 110461699.0000 108442381.9000 93404503.7700 102204902.2000 93893142.3400 104090988.5000 101743781.9000 116787114.3000 114752943.1000 106548555.7000 129378052.1000 134636209.6000 118984912.5000 115713156.1000 123357890.5000 129474360.5000 143147246.6000 139371403.2000 123694610.7000 115792414.4000 93514660.8600 98765562.1100 110352177.6000 102922893.0000 86631340.5700 71787668.4600 86926140.2900 97712849.0300 91080754.7400 106733869.4000 106198995.9000 144430804.1000 109108418.7000 107613444.1000 80682450.2000 91826572.4600 73547601.3700 97109557.8300 101783757.0000 109533093.0000 102815788.1000 102833485.0000 106452087.2000 102351676.3000 118304328.0000 117478125.5000 140688843.2000 100679085.5000 93433796.2300 91294980.5700 104720370.7000 95575243.2000 99355755.4900 99158825.3700 75305700.6900 85177186.5100 99572169.3700 100840590.8000 104176061.5000 105483662.9000 103588380.7000 94918973.4900 104460721.8000 100959975.8000 109480710.9000 113121213.5000 108635714.4000 100358077.4000 90929363.3100 94012984.8600 67577518.8300 88029999.7700 63690688.6400 61268094.8000 63815980.3100 43688174.0700 47732728.7700 46885440.0950 22380110.5430 19795180.9525 19972364.5420 18383327.8575 19237927.3185 19306338.8430 20698168.3815 19933231.4595 20199649.4855 21606781.6605 19414722.6975 19929570.8200 21622047.5515 19756686.1695 21592571.4595 L-alanine 0.0000 0.0000 0.0000 11102452.9400 2116772.9500 1055464.0980 2177147.1540 14724763.7200 3408017.8630 708204.4692 2428431.0160 1662672.3030 10374395.5900 2571262.0400 1230928.8310 12185792.1300 3688962.2560 3163887.3380 0.0000 2303397.0610 0.0000 5030855.5370 0.0000 0.0000 8255908.0420 10921228.0200 0.0000 0.0000 0.0000 0.0000 14790104.8500 12323209.0200 0.0000 8717749.6950 2653673.7210 7260745.7030 6571935.1860 1333929.8320 1181704.9580 2252952.8590 7275250.6710 1069252.8600 1544242.1150 2517543.1340 15929927.5700 1298946.4480 1140933.9660 8237130.5690 0.0000 0.0000 0.0000 0.0000 5884294.7780 0.0000 8650118.1150 7804133.9960 11644028.3000 0.0000 0.0000 0.0000 1170249.3350 935141.4279 1418678.0440 6455464.5490 8820269.5430 10403264.9400 7690314.2600 1540285.4520 10366317.9300 12552889.1100 14163434.8700 12135014.9800 2879200.7510 458325.6537 2662311.6370 L-cysteine 18186290.7200 9681881.2760 25759408.5800 1489370.4070 1542077.8820 1400007.3640 3657130.5930 3406849.3410 3807095.5540 6751961.0600 7429558.0140 7527108.9280 777173.4425 898040.2630 784630.4689 19168409.7100 17869263.6200 18910466.4700 1348700.5330 1443785.6830 1411122.4090 4433756.8000 3680027.3130 5620540.7180 11103742.9400 4616661.0000 11651207.0000 660849.3575 752235.8025 732838.6330 L-cystine 2 3998541.5485 3128717.7765 4053910.0115 6858883.4430 7168965.9580 4081615.0980 7004922.8310 8803875.8510 6202916.6260 7513707.4570 5488440.8880 8341244.1810 7249239.0490 5906466.1270 6873376.7990 6097160.8690 6030077.5940 4447919.3080 404834.4843 453743.6664 378356.5879 1136202.8694 1082818.0946 1181707.7377 4352417.5140 3947712.5715 2496088.8430 2579282.7290 3425956.8715 3769130.3000 2158468.5570 1836527.3715 3875848.8145 4243480.3860 3905869.0285 4024081.4430 1990790.8145 1881439.3425 3940442.6855 3518898.1715 3494936.9715 3559602.9570 2780653.7860 3327178.9570 4392035.8430 3814920.6715 13899045.9015 10638754.6705 5391229.3145 5708789.6570 8911010.0415 8913563.4555 2525174.7285 2659519.6715 5794329.4860 6525696.1290 955614.3285 1098209.6713 247046.5428 459678.3429 2824223.5860 2873276.0140 563714.8572 582737.9714 5162952.0855 4872495.8855 10111415.0845 10888803.5880 1909952.7715 3074196.5715 2650806.6710 2378245.2855 3268283.9000 3205624.5575 1733115.8715 1857923.2860 3160246.5710 2629568.4570 3660042.7285 2634688.0575 2923200.9860 3088442.6575 4757555.1145 5281484.0145 5395542.6855 5263601.0140 156446.1714 155548.7000 1962883.7575 1978057.4285 2278710.1570 2428937.0860 959699.2000 1543499.0145 2144333.1140 1916864.8575 4849557.2285 5165341.5860 2840148.0140 3381054.4290 2759148.2285 2530891.1430 2842296.9860 3691635.9570 2245209.2010 2363014.4785 2470567.1800 181021.2062 208209.1005 150268.8723 5886639.9165 6340274.4490 6672855.6815 24084438.3100 25403579.3200 23781829.5800 22805627.4000 22429538.7600 22473624.5000 21952037.2400 21313336.4500 20930135.6500 24685361.8500 25948747.9900 23398288.0800 22952495.6800 22084869.5400 21282670.6900 403508.7964 389227.9825 413916.8863 1176909.9902 1339986.3090 1284191.7197 5069952.2860 5713571.0860 3696970.0145 3717154.3570 6961635.8430 7190996.7140 3280600.5715 3133487.7430 6596012.4430 6457700.1860 5096473.9000 5926117.4000 1704416.2285 1974769.6285 5802866.5145 7162324.9285 7038398.4000 6161422.0285 4685807.9000 4970203.6425 7867737.3450 7831308.8995 15224551.0450 16763348.3300 17085039.1435 16488881.6555 17284429.6750 16133574.3100 3387238.4430 3716016.7430 12131259.7985 10548292.1265 1054450.3000 798753.1856 365986.8000 489300.1000 3543732.8570 4672125.8285 521045.0857 466082.1857 8766539.7880 8680331.7130 13935421.3265 15722624.2870 2997351.1855 3993606.7140 4749860.6855 5380784.2715 5552775.3285 5447200.3145 4061897.0575 4036284.9570 5742212.9860 5933016.6285 8067284.9000 7977212.0870 4105892.3140 4052882.0000 7402639.2845 6613676.8430 8303717.9265 8126937.2555 174932.3142 225213.8143 3129783.1140 3299278.8575 4969686.6285 4816267.9000 4154472.1715 3455796.3710 4369046.8715 4353375.1860 9657566.2430 9765917.5285 7450868.8285 6553381.3570 4167121.3140 4547679.4855 2860609.7285 4324617.1140 2913051.1425 2836540.7055 3024537.8750 131201.2643 154285.5910 116466.8110 8777244.6260 7034456.3370 7823762.4580 7653800.3470 8846676.2470 9079934.6110 9724473.3240 9801126.6210 9035596.3760 9041696.7740 10115890.4500 9340839.3100 8713896.0040 10232108.7300 8723151.6050 leucrose 4470984.4570 4944271.2000 2385612.2860 3375072.1710 3585698.2290 3621123.1140 681360.2286 2506569.4290 1599047.6570 1414101.0290 2441164.2570 2511330.5430 2395228.5140 2175352.3430 5282284.0000 4549790.8570 2182641.7710 2696518.0860 651783.5429 6949908.5140 6774711.0860 7855416.0000 4055892.5710 3792497.4290 1971146.3430 2077270.0570 8335009.0000 1571544.2860 3908183.0290 4190423.6000 5411209.1430 6364624.6860 885423.4571 960050.3714 730354.8000 1100930.1430 3204081.4860 3088459.5710 1003226.2290 607723.2857 3686876.2290 3163442.0000 1092916.4570 11930626.0000 2021708.6290 2506229.9710 3556236.7140 2940903.9140 4320979.9430 4212941.4290 624282.3714 813949.5714 3518890.9710 2843217.4860 5600390.4000 4446253.5710 651691.6000 361079.5143 1522401.1140 1540786.1710 3726558.0000 3769437.5710 385149.8857 377197.6286 731637.0857 3966198.8860 1418007.8860 4541080.1140 396692.4571 1623790.2570 6345356.7710 6444648.2290 1279744.6860 1239445.6570 2973850.4290 2866315.6860 3145157.7140 2873042.1710 3251481.4570 4352959.3710 4587341.9430 4137174.5710 1423044.6290 1558044.8000 7780496.2290 10369288.2600 732837.3714 3742640.8290 2349783.6570 2320271.7710 3312613.8290 3136796.4570 1649542.2570 2126524.6570 1252882.4570 3166514.5140 3670357.1430 3021018.5430 1128433.3710 8314002.0000 7428096.6860 7333873.8290 8233860.5710 9293177.7710 3838037.6000 3639335.5430 2091950.7430 13238861.0000 4508882.6290 4697153.6860 8202006.4000 7307847.0860 837295.6571 655016.5143 957407.7143 1065468.3140 4133330.4000 3537194.2860 464072.3714 671256.0000 4414457.3710 4387213.0290 1199015.4860 1573746.1710 2179162.4000 1175927.0860 1534938.2290 4500187.9140 5807144.2290 6027747.2000 1706439.6570 1565889.0290 5309070.4000 4971667.6570 3059518.4570 2783802.0570 4809273.0000 4732164.6570 2125462.7710 1980194.1430 4703617.7710 4832216.9710 516024.3143 642051.2571 884790.8571 919976.7429 1747640.6290 2161476.1140 248618.0857 387633.5429 9000091.0860 8003070.4570 9550268.4000 9582424.0000 4752989.2570 5259274.4570 3389806.2570 3542001.6570 5114832.4860 7227952.0000 L-(-)-fucose 10855111.0000 12364647.0000 11462193.0000 14914049.0000 12993925.0000 14141032.0000 11629050.0000 12273007.0000 12031583.0000 11107008.0000 11780138.0000 12366357.0000 11075100.0000 11865196.0000 11716941.0000 21059661.0000 20679042.0000 19447765.0000 21095829.0000 20614420.0000 22048895.0000 19928425.0000 19666687.0000 19185895.0000 20383393.0000 20919474.0000 17815590.0000 21029405.0000 20866504.0000 19784545.0000 10904591.0000 10351335.0000 9688800.0000 9516608.0000 10755307.0000 10200424.0000 11183247.0000 10247019.0000 10213225.0000 10493923.0000 10667348.0000 10663160.0000 13005364.0000 10841853.0000 12705488.0000 L-glutamic acid 4234775.4720 3106611.3110 2915520.4100 2436753.0000 6086243.0000 2870570.0000 7706469.0000 4355444.0000 4010890.0000 3682132.0000 4818052.0000 3929577.0000 3703987.0000 2315836.0000 7086141.0000 2211201.0000 3412223.0000 4588476.0000 692129.0292 737770.0160 623907.0971 1408533.5200 1545931.3420 1264474.9530 9229429.9430 0.0000 1465652.5140 1846744.5710 4400325.0290 2923227.4290 0.0000 0.0000 4908401.6570 7527722.7140 0.0000 0.0000 5140471.8860 1710111.6570 1802641.7140 0.0000 0.0000 4826286.0570 0.0000 1915095.5430 1272485.3140 569608.2286 8175260.8000 6173483.8860 0.0000 0.0000 1992004.5710 3517734.4000 1745724.2290 2112158.8570 6170693.3710 5971873.3710 0.0000 3591191.4570 276073.2571 333954.0286 906233.7143 913707.3143 0.0000 0.0000 4031820.4570 3674892.4570 1993927.7140 1569754.1710 2626202.0000 3235533.0290 1782826.8000 0.0000 0.0000 817949.5429 846051.2571 1125407.1430 821284.1714 738815.6000 1056492.1140 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 583183.3714 0.0000 0.0000 0.0000 0.0000 672118.4857 757883.1429 0.0000 524183.4286 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 419582.9143 478025.2571 2936609.2340 2299448.7140 2673886.7550 368367.2917 387620.4686 370410.4573 4873681.5350 7330253.0380 12060063.9800 10256465.0000 13685448.0000 9674742.0000 7611562.0000 8661334.0000 6151539.0000 8160531.0000 8002830.0000 7411783.0000 14301461.0000 13063175.0000 6336840.0000 7476147.0000 8606061.0000 5095622.0000 627826.6235 1072683.9530 807486.5791 1253598.5450 1411007.3300 1315830.7570 12538410.0600 0.0000 0.0000 0.0000 0.0000 0.0000 9024215.7710 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6655184.4570 0.0000 0.0000 0.0000 2872469.4860 0.0000 4771388.3430 10272342.5400 0.0000 0.0000 0.0000 629928.6857 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 248840.2857 309764.9143 883630.7429 1454062.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1938920.3710 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 141068.7143 0.0000 0.0000 0.0000 945018.7429 0.0000 0.0000 14914757.4900 18317622.8600 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 558588.0571 0.0000 3611668.3970 3787592.8900 2899679.8520 460116.7931 705968.6766 444346.5186 2417762.0000 3215654.0000 1634576.0000 994244.0000 4013968.0000 4450344.0000 6498470.0000 6206342.0000 2273869.0000 2087608.0000 4262838.0000 3210454.0000 6799834.0000 6845948.0000 7923197.0000 L-glutamine 7042857.0450 517096.0474 7169444.9170 1270708.9160 1393615.4860 1174936.3980 147190.3143 789282.3296 889112.0539 10282055.6850 12495708.5715 3120689.1430 14626013.4570 9503965.2570 10290222.7285 18366063.8735 8193192.6550 11257645.8020 11948356.4145 24851295.9705 23303612.6550 11463353.8405 10377652.9305 5771021.3715 15485826.4865 9546679.5140 9414845.8430 12074377.7850 12831540.7005 25701226.9550 23740835.5000 14439017.9420 6125838.0860 10286614.3550 18899107.1150 11576633.2005 19034135.0450 7482984.1150 5133674.9140 13975327.8845 21941613.7450 2669494.3570 3373732.7855 5369979.1721 1906959.8000 10101974.0715 9000455.5285 4384117.8575 4539540.4140 14172717.0570 14438175.6585 8244578.9120 66643477.9850 8370599.8730 12513017.8550 5603799.7145 9106152.6405 7128056.8430 6999072.4285 4453106.5000 4331204.0570 7451907.4855 9087340.4555 17344270.1700 12939787.7735 6333139.8570 7613793.2430 7542609.1835 8410064.4570 27393572.5000 30117129.0000 1033610.5430 1051140.2859 9058274.5285 4216138.9855 9529342.5280 14765765.0570 4261152.2290 6094533.8450 10109659.9570 10538340.3145 16081812.2835 12143295.7300 2929399.7570 10069611.0430 17891724.1870 16037026.4985 3623336.5000 13451720.4000 403640.4079 3064672.6310 3374234.5280 445618.0505 525130.5237 412256.3613 19652913.1800 19842950.7300 21254517.2600 1289497.7470 1205921.1260 1196351.0750 3482688.1610 3868794.3880 4025552.1000 11965925.8430 14276900.3850 13168468.9305 13842502.2000 15510868.6850 32651703.2150 13513508.0850 13208999.0705 14932803.2015 13361181.6595 17516521.2020 20191666.8250 11728203.9285 14298514.5300 16309056.0145 21386942.0450 9663967.2720 10459073.5120 16936799.9450 18507477.4135 32874810.3250 13203394.5400 14703698.1000 16707798.3995 51270669.0150 45713037.2300 37286944.5550 26301310.7400 13457219.6700 14156882.1995 39105623.1700 29231130.1300 3688850.0570 2894408.1425 1682223.1860 2060556.2855 6718774.2985 10123758.5585 4600241.8855 5253248.5855 40225201.0550 34447297.8550 7184410.7730 26160569.4850 12758514.8005 16036550.6995 10053701.6305 11058596.1720 17777045.1150 18168218.6700 12783495.1295 9723112.8285 14234077.4300 14504300.9985 25679536.7400 25526042.1000 13293239.7450 13054717.0980 11286683.1120 7405419.7695 20973230.3995 19589514.3020 1283348.5288 1644668.1571 9655044.6735 10764975.6450 27778372.7570 27268841.4835 19704854.9585 17657084.1120 15321637.9300 15981887.4850 22009166.1705 33777865.7000 21067241.0700 21827493.8400 27745264.9450 34674916.3250 5686717.9430 15652526.5995 8405054.1940 8701522.6050 8416390.9350 283492.2159 391245.7867 391331.7309 L-histidine 63175574.3700 50453012.0500 62390376.3300 9934741.1990 12323994.8200 10220192.3400 24298246.4000 27279871.7000 28149927.2000 0.0000 0.0000 106921356.2000 120779499.7000 124632088.4000 105772546.1000 0.0000 0.0000 0.0000 0.0000 119344620.7000 57092845.5400 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 89126192.9100 65388246.1700 0.0000 0.0000 0.0000 69219947.8900 82628043.6600 103397398.4000 124473759.1000 0.0000 0.0000 126562589.3000 117650315.4000 0.0000 0.0000 7024297.5710 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 81317254.6300 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 78118261.5100 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 58041134.0300 136108566.2000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 41185493.9300 40924100.9500 41925613.9200 4252674.2950 5185100.0150 4125864.3600 88278565.3800 88702052.0900 86756508.9700 9807390.3690 10620042.8300 11334298.1400 29805088.7300 34988969.5300 33322233.8900 0.0000 82969918.6000 132903814.6000 63054363.7400 78019477.4900 60745986.0600 0.0000 0.0000 0.0000 0.0000 56370788.1700 57720949.2300 0.0000 0.0000 0.0000 0.0000 88608935.4600 80669429.0000 99400141.5700 102688157.0000 93081657.7700 98379707.0300 0.0000 50612236.0600 0.0000 0.0000 78045385.1400 83807051.0000 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19707254.1100 17528104.7100 15661281.5100 10867362.8000 9003715.5140 11893151.2900 11329633.0300 8095642.0000 16708402.6600 13730398.4300 20228366.6300 16557047.2000 20080508.8000 22469249.8900 20289439.4600 16486706.9100 35221180.3400 35405489.7700 17104973.1400 17685729.2300 14236701.2600 13436671.1700 38099647.0900 89932112.0000 27885720.0600 12824271.8000 22395737.3700 21513722.4000 14623795.9100 14249844.0900 14372253.8600 20310217.3100 7240972.2860 7626628.0860 4796095.6000 5549361.8290 19721355.8600 17631541.8300 7206755.2570 5967856.7140 7515237.8290 11380674.5400 16604952.8300 17494068.0900 4854489.8860 9479664.6290 5060030.7140 9378720.6000 14502969.1400 11802774.9400 7103706.4000 8856893.2570 11509555.4000 8406976.0000 14086932.5400 7661665.8290 11825011.0000 10762733.6300 6826660.2290 8943168.4290 11194882.7400 11119027.7700 3752891.3430 3160369.4290 6735827.5140 12791438.4000 11234214.5100 12423360.5700 3420026.3140 10439351.4000 9725792.7140 9253854.3140 15864326.4300 19628609.3700 9895479.5710 19137756.2000 14786914.9100 11818207.0600 6848067.6290 10984959.7700 11076384.7600 10382994.2100 11235654.6200 1732416.8560 1895857.7140 1852303.8390 25193982.1600 25351581.1700 27968082.7700 36580782.7600 35361288.6900 37589212.8100 31422069.5400 27182137.4400 41085494.4000 25225730.9200 31268777.3100 28014204.7200 29352857.2100 35090845.5500 109046047.3000 29627791.3500 26977598.2100 28166588.9300 2886241.0850 3109057.7800 2873612.8680 6642221.5220 7111838.4810 7003715.4740 10180657.8300 11597852.8600 6101638.5140 6371777.4860 32725798.7100 38709117.6900 6650514.1140 4316827.9140 6039401.2570 5389251.0860 15782652.0600 17254581.7100 14850573.2000 18991179.9100 16054843.3100 23836234.6000 50003485.0300 45986622.5100 20284369.4900 27527907.2300 17412264.2000 17663417.4300 37136565.9400 273947.2000 49478376.6900 40604724.6000 19501258.5700 15760400.6000 11364933.8300 12881415.7400 21027327.4900 16491890.5100 2897000.5140 1856397.0290 3974959.0000 5602629.2000 5377131.1710 5662227.2290 6224200.9140 2980239.6570 9702507.2860 12832329.8600 8066315.9430 8922956.3430 2704417.9710 6032390.9430 6875643.6290 9694465.6860 5883917.0860 7541308.0000 5752325.3140 3923872.4570 5383918.2570 5331029.9140 8269085.2860 7171189.3710 8397656.3140 6962629.0570 6546013.8000 4051451.6000 5950353.0860 6540640.9710 2362358.5140 3629488.0290 4449466.1140 4500514.4860 28214530.4600 29622053.6000 9625485.6290 6693135.3430 10215125.3700 7079079.5430 12016658.0300 13309251.3400 13819569.6600 15687670.4900 7626441.8290 5986557.4290 15513284.4600 19182399.0600 13336261.3700 13574016.5300 12988884.3700 1852546.3470 1734933.7810 1764695.8200 90111024.0000 20351896.6300 83027350.8700 65557991.5900 62434672.0000 66464616.0000 55838264.0000 63586555.4300 67962800.4400 80601848.8700 77015963.2400 74559935.8700 32133760.0000 62391598.3100 37742176.0000 L-lysine 22867654.1100 18904229.7900 22880267.0500 3197725.4350 3443758.0120 2948198.4110 8187168.7490 7683883.1300 8402419.9470 11022924.8000 9792596.5710 28636522.9700 32171079.7700 22487983.8900 22204032.9100 6204277.6570 5150230.9140 5305921.6000 5820331.2000 25396417.3700 25879050.9700 13561699.8900 12130254.2300 11966938.0600 11273408.4600 1031426.1140 1064037.6000 4718254.7140 5515357.7140 39539653.7100 36452453.9400 9379280.4570 7571552.6290 54653210.7400 59892137.3700 12349579.4300 12963783.3100 26399812.8600 28778288.9100 33682576.2900 34829888.2300 2848961.1430 3371292.3430 2381363.2860 2739401.6290 5737293.3140 5826776.5710 4620127.2290 4519872.2000 30325432.4600 28684395.2000 5849326.1710 6393405.2570 21862586.8600 30791634.8600 5796610.0570 5013947.8000 4954146.7430 4801170.2860 4324041.6000 5859087.3140 4302646.6290 2709556.4570 14823818.5100 9760031.5430 14612033.8300 14728924.3400 4085874.1710 4747217.9430 131601695.3000 127490278.6000 1214584.7430 1306930.8570 3984364.8000 4087472.8000 7769009.8860 8504258.7430 5838279.7710 9340874.6290 14142051.8900 14383637.8300 8366581.4860 9112495.3140 14856000.9100 14932443.4300 48201713.1400 43919881.1400 12659100.3400 15493895.3100 13981500.8300 14332466.4700 15310197.6200 1481963.3490 1749380.5830 1508093.1160 28870486.9300 30847041.6700 32644784.4900 2869746.7960 2755776.9390 2852696.6250 7459134.4230 8720403.0560 8626280.7840 11242457.1400 10434006.8600 36732542.8300 38759744.4600 45322897.9400 45243916.8900 7520250.9710 7293783.7710 6000251.8860 5811491.2000 27900316.3400 32025986.5100 10366064.8000 12272904.9100 17790250.0600 22160086.8600 1670010.8570 1516551.1430 5628597.3710 6042485.8290 55788922.5100 55565923.8900 10202919.2000 11958913.2000 146662809.8000 132951764.3000 19648841.8300 18390093.9400 31186797.2600 33700671.1100 56995963.5400 49637630.0600 2175066.6290 1743152.9430 2268308.1140 2538286.7430 6164684.9710 8388335.4290 3673317.7430 3868706.6860 49342337.8300 45414307.6600 6142119.3140 6662954.2860 24170265.4900 31144236.8900 8395698.7430 9220269.7140 6430504.0000 5102370.7430 6869454.6290 6600005.0290 4370230.8570 4437541.9430 23482651.0000 23393622.1100 16545664.4600 17545017.0900 5810102.7430 5206380.1140 91027879.0900 156712468.1000 1014493.6290 1220833.3140 4332480.1430 4566097.5140 14153338.0600 14174005.9400 19337328.4600 17658918.4000 21885364.1100 21701323.4300 13914847.7700 13837234.2900 28917140.6300 24817792.2300 53729115.9400 61314532.1100 12192208.9100 16644257.3700 15112530.0600 14706450.6400 15569675.6000 1190646.2920 1367942.7790 1348095.7550 L-pyroglutamic acid 47865798.6400 40773323.0400 48078940.1800 4739963.0520 4923281.9200 4264477.7750 10904148.5500 11050927.8500 11907786.7300 41817212.3400 36831565.2300 29875634.0600 33179302.8600 37360308.2900 37640544.6900 28705901.2600 24188468.9700 46283575.7100 51252585.8300 56905794.7400 59381343.0900 37508826.4600 32789202.2900 37804049.4300 36080898.6900 22393180.0900 23742146.0300 33224966.4300 38924849.0300 9260952.0000 6631205.4860 60653283.2000 43973164.4000 54428228.3400 60490959.0900 76083468.8000 86039877.7100 28781091.9400 32222879.0600 65868828.1100 73595624.2300 12116116.7400 13456163.8300 4547143.7140 5303419.1710 36455570.7400 37427725.4900 8622728.1430 8790901.5710 49981743.5400 47355159.0900 63615068.8000 71070724.3400 19519679.7700 30585728.0000 31043825.2600 26309069.4900 34488601.7700 33496088.9100 25137465.6000 25956063.0900 34582073.2300 26730453.8000 51449701.9400 32365669.7400 25533857.8900 25783744.7700 19484035.7100 21515553.1400 39799343.5400 38914146.5100 3591106.9430 3304849.1430 19083708.6300 19990052.9700 31084543.7700 33700072.4600 12828585.8300 23777939.8300 26209279.2000 26785261.6300 57772779.6600 61354402.0600 31725184.2300 29412874.9700 31360775.6900 27909156.3400 35120582.0900 44953090.9100 28074196.3700 26418927.4800 27348509.7900 2485936.7970 2727777.9080 2399117.7090 39398322.5200 38799394.5300 42300528.9800 4261835.0010 4179049.2990 4077591.4610 9369044.2380 10425447.9500 10494780.1800 28007585.8300 28990480.5100 20210666.7400 20809496.2900 40301011.2000 42395342.7400 27510329.7100 26856479.9100 46709832.1100 45739951.6600 34449479.0000 39168343.9700 25465192.0600 29794058.6300 35714834.6300 38121271.5400 23312140.1700 20368595.3400 37382164.2600 38949643.2000 9152302.9140 4094777.1140 46400782.0900 51551737.4900 50477270.4000 61834695.5400 84167806.4000 79332689.6000 24383975.7100 27493078.0900 61356907.5400 52842337.5400 8824009.0860 8688004.5710 5620499.7710 6318766.9430 513971.0000 969532.0000 6720209.8860 5302830.3430 45550923.9400 42089948.0600 42871817.6600 48973108.1100 14508251.7100 19124594.2300 31156797.8600 34009841.4600 29637720.6000 29403804.6600 28901283.0900 28090262.5100 32395332.0900 32916365.0900 46128234.1700 46434629.3100 20815075.9700 19661077.8600 16034951.8600 14541434.6000 25958095.7100 25096124.2300 3503193.1710 3972967.6000 18233162.9400 19379585.9400 42891292.0000 42970962.5100 33941566.8600 30797309.2300 26013923.0300 24064807.8300 56995288.2300 57088073.4900 38190332.4900 34939536.9100 17445749.4000 21631164.6600 21816280.1400 33139576.0600 19311932.4500 18596919.0100 19518991.5000 2151975.1610 2417846.9780 2348860.8590 L-serine 58231013.3100 61368990.5100 55914018.4700 4709388.3050 4996567.9500 3977424.3110 11580910.5000 10411430.9900 11725566.5800 48679117.9400 47480678.8600 39607005.2600 38592066.0600 27392204.1700 31488699.4300 39444493.0000 37092185.6000 40308501.0300 42446238.5100 60893531.8900 57037787.4300 22212783.5400 22210947.3100 30287438.6300 28744188.3400 2072096.7140 28270858.5100 36772461.7100 39112297.2600 39782855.7700 25429862.7100 40956222.6300 33363220.1100 48842899.4300 48357605.0300 63985938.7400 52989913.8300 30104054.8600 29708623.5400 58677302.5100 62117758.4000 5624832.4570 6529239.3140 1759474.8000 1913163.4290 34981400.2300 35159532.8900 5961845.1430 5823181.6570 44325033.1100 40897807.8900 35244271.5400 38890747.0600 26512114.2900 31537230.6300 35181149.9400 34002936.6300 39322007.0300 38220536.6900 33992788.1100 39672597.5400 36609071.2300 38131585.6300 44242867.6000 15232276.3100 30328684.8000 34101813.8000 10793934.1400 11464408.2300 46349155.5100 38584285.9400 1066283.6860 1152424.4000 26812916.1100 28052317.7100 32725864.2300 35911688.0000 4892651.4290 30350493.2600 29324209.6600 31865771.4300 42705211.4300 47269340.3400 38668942.5100 31027249.0000 32916719.3700 32437237.0300 23379042.7100 27560611.6300 34611057.2200 41360697.3600 45697105.6300 2208270.0680 2396906.9840 2240877.8710 36806710.6300 38428582.8500 39467280.3100 4231770.0790 4178474.1150 4001853.8980 9993035.5680 10637712.3600 10718024.2600 22093111.5100 25455756.2600 17058537.7700 18093491.4000 20807320.2300 21223982.6300 18171814.5400 18192474.7700 20526740.9700 19823128.6600 32143864.2300 37180909.4000 1624528.8000 1905700.8860 12271182.8000 14872052.3400 11095930.5400 10132412.2600 16872222.1700 18174242.8600 20594406.5700 21996550.8900 16993382.2300 19512401.0900 42648982.8300 38511474.2900 36602327.7700 34787064.6900 8204091.2860 8668799.3140 54827665.8000 20217572.8000 5363178.6000 4054937.0290 1613527.1710 1879017.1430 9697751.3140 12357870.7100 4810296.5140 4983245.6570 25111287.7700 22689261.2600 19013514.5100 20760509.9700 10920859.1400 14534192.8300 16203596.3400 18054362.0600 19567455.0600 18313514.2000 13267479.8600 12584624.2600 16848712.1100 16864931.2900 26529717.0000 26677266.9100 11332681.7100 10834335.4600 14127874.4300 12286844.6000 15559604.1400 15163398.7700 1039335.3710 1202203.5430 5077672.1140 5539940.5710 13864987.4300 13919476.5700 13893230.6300 12938454.8600 11979626.9700 11893883.4300 29566633.4300 30205892.3400 20842152.2300 19096991.0900 12117610.7400 13667230.0600 6703828.4570 9322377.6000 19812245.0000 20007291.6200 20113643.1100 1962479.4790 2252954.7250 2199071.2570 L-threonic acid 1 48552800.6900 34426710.1300 46763830.8050 5079541.5720 5343865.7185 4380097.5920 12776545.1915 11858461.8265 13166196.1445 41480930.8900 36746700.9850 16230897.3000 17730021.2270 29443586.1300 30410875.9750 23630997.9850 20094532.3705 34465121.7150 36828723.9550 35227045.7550 36183831.6300 31204113.0300 27194327.5430 31069712.2000 27209540.5600 20024363.6555 20944736.9005 23812283.5720 27759626.7850 70346729.7350 64284560.3450 50197356.8700 36270971.5300 50529194.9850 56200085.1400 64825552.6850 113892007.1500 19343223.0250 21273928.8450 42821335.9250 47032810.9400 8856212.0285 10655971.7020 3935842.9855 4474334.5570 36064095.6300 36703838.9150 5698719.5570 5678892.6145 41582767.3450 39290740.7850 47382714.4850 52736705.2850 13978156.5020 19557882.6270 22381846.6150 19348041.0155 26792373.4600 25695987.8150 20447760.1980 22131143.8420 29396573.6600 22996167.7000 47232384.7000 29987583.8850 18524795.5005 18787524.3845 15921352.2700 17994089.5295 17897566.3715 30754829.7250 2708890.3000 2674138.3855 23084007.2580 24400054.1420 27005198.6445 23053529.9450 9189671.2135 15529535.0865 24311768.6445 25320642.8995 44864544.1850 48824269.1400 23995087.4295 20474227.1995 16309305.9405 14527878.3450 27450548.3550 35293279.0000 23141175.5550 25283180.5700 27459241.8000 2309526.2870 2707985.6415 2372083.9355 57863876.0000 59586809.6950 66318830.2650 4850859.2920 4796319.8285 4595928.7270 11278566.7860 12815750.1125 12281544.8965 31449608.5700 36081030.2850 22890095.5550 18335971.7415 39872942.7000 43068075.2000 29484632.5150 28209606.0300 40756880.8750 40013005.4700 31822184.7700 37909330.3450 21752962.5135 25945669.2550 34313303.7100 42964830.4850 29970653.0000 27160694.9700 31291497.4850 34289196.8300 98057704.5550 92502478.8300 41894355.7850 47075228.2300 118946202.6000 121479112.4000 128238058.4500 82231908.5800 20212834.7600 21314282.8700 57768399.1250 48314934.2850 7861939.2585 6298014.5430 4117576.0430 4604717.5285 26517462.2850 36534625.4400 5970672.6285 6061602.0285 49134198.9850 47800611.0000 46341734.8300 49841110.3450 20446773.7000 27440754.3400 30023680.5600 33430476.1300 31061808.4000 31060190.4000 29376612.4000 27658769.6550 32458600.4600 32321675.2000 53714345.5850 53539274.1550 19985262.1130 19422363.7735 22176953.7580 19327501.2135 26819415.0000 25757231.1450 2743775.9710 3202056.6570 23338950.6280 25175907.5405 34866645.4300 40361224.4150 29493966.7850 26278367.7700 36326218.2900 34086049.2750 90283668.4550 95080559.4050 44360848.6550 41605497.8400 14860228.9585 16845031.3450 23699213.4265 32224460.0300 25613477.6950 23819870.2200 26161532.3750 2153451.5890 2525492.4010 2457714.3155 L-threonine 15180144.8400 11260101.2000 15507116.5600 1877792.1160 1973019.9790 1618706.5750 4575156.6510 4114023.4730 4695112.8570 19853548.8000 9194936.2290 13503220.5700 24568662.9100 14554067.0000 20641028.0300 9219287.0860 8263376.0000 6539173.0860 8896918.6860 24769079.5400 25553027.8300 2497690.1140 605035.0000 11898055.2600 10629431.4300 4544093.6290 4682555.0570 11149225.7100 13237607.5700 9781366.6860 12707010.3100 20958846.1700 12448001.3700 29842078.8600 31261833.3700 21772914.7400 21817991.0900 8337524.0000 8934638.7430 23719288.4000 24362732.7400 2886550.7710 3413683.2000 1361804.9430 1577365.2860 14884005.0000 16255714.7400 3184751.8860 3122986.8570 12975647.1700 12091201.8900 10584568.4900 15265104.4600 8487189.6860 11317602.7400 4780988.3430 4379998.8570 8383593.1430 8026579.6570 3754998.2860 662353.0000 16830015.5400 5150173.1140 18311684.1100 9567658.0570 7179487.3140 7420215.0860 5063624.2570 5519051.0290 13432279.5400 14180871.2900 839075.6000 832416.1714 2711597.2860 14197496.0000 8082998.0290 3597242.0000 2199728.1430 3685009.8290 4029025.7710 4445586.2860 24835800.6900 29626563.2900 7021534.6290 8336741.9430 13577568.4600 12852717.1400 5671616.8290 6356464.0000 8088624.9580 8381659.2780 8042368.5020 969678.8310 1034894.4840 987478.6612 15318399.2700 16575760.6100 17409120.5100 1771517.4140 1732618.8280 1671962.1690 4039046.7450 4372596.1340 4302120.6600 8805707.8290 10094494.9100 16287167.6000 17271484.1100 31778465.1700 32624004.7400 11524958.2300 11343229.2600 8362334.6290 8035441.4290 23992324.1100 28249330.6600 1809189.2570 2178132.1140 13237597.2300 16243207.6600 6553274.2570 5921278.5710 14739740.6300 15864380.5700 10376474.7400 13446309.8600 13578091.8900 15597392.2300 59237580.8600 52695240.5700 27820921.4300 26038973.2000 8631328.0290 9091619.2000 32898933.4900 27278728.2000 2547786.6570 2045308.0290 1331433.6860 1540069.0570 5772230.4860 7562018.4570 2589319.8860 2654650.9710 17554521.2600 15989119.4300 10167544.4000 11161924.8600 8618154.6290 11509672.6900 6303864.2290 6977055.5430 10053185.0900 9722553.2000 5551464.2290 5360796.9710 7426423.2570 7503902.6290 16309034.3400 16289090.6300 8282470.5140 7917037.6860 6522961.7140 5691499.8860 14232884.3400 13822789.8900 815382.4571 951140.1143 3475184.6000 3797413.1140 12010226.9700 12095400.9700 6495528.5140 5976033.3710 10183948.5700 10096532.9100 21279535.5400 21902052.6300 13120863.0300 11949790.1700 14260418.5100 16295240.4600 4717139.3140 6663230.8860 8330650.2560 8366291.3000 8335176.6870 842871.1634 969030.5641 942807.8634 L-tryptophan 24318178.4400 20463464.2300 24798022.8300 2635334.7340 3026986.4400 2691612.1660 7061720.0980 6815255.4920 7033554.8350 0.0000 0.0000 12026817.0900 12882243.1700 10250416.4000 10182589.5400 8323912.6570 7090847.4570 0.0000 0.0000 19465830.0600 20491415.6000 0.0000 0.0000 10260313.2600 9804677.0290 0.0000 0.0000 7259612.8570 8494246.5710 0.0000 13933233.0000 0.0000 0.0000 17938845.2600 0.0000 0.0000 25922485.1400 6037032.3140 6740644.3710 17520151.4600 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6263045.3140 9124269.9140 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6025252.3710 6177315.6860 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31963744.2900 33396096.3700 0.0000 0.0000 7342196.1140 6778994.6860 0.0000 0.0000 13565542.2300 13482243.7700 14018524.8000 1405209.5910 1433804.2240 1325030.0120 30589819.1100 32076407.1400 34303093.1300 2430560.7640 2090515.2410 2242950.7130 6441459.2040 7165570.9910 6871086.0040 9650305.6290 10846664.4900 14356888.6600 0.0000 16947588.8900 16920486.1100 9979602.7430 9777937.4570 0.0000 0.0000 21050083.4900 23152455.4300 0.0000 0.0000 11739197.1100 0.0000 0.0000 0.0000 10043237.6600 10733130.6300 0.0000 0.0000 0.0000 14251124.1700 0.0000 0.0000 36485395.7400 35314575.2600 6810799.9710 7393514.4000 22784417.5700 20067536.5100 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16187375.0300 7518949.4570 9605437.1430 0.0000 0.0000 1408965.3430 1375768.8000 0.0000 7112073.2290 0.0000 1722794.9140 17882479.1400 17827894.4000 6763721.3140 7114282.2000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10329397.0900 10283698.2300 47137569.6600 46002187.3400 16088698.9700 13942821.7400 7892653.6000 9083463.5430 0.0000 0.0000 14744818.7700 15176974.5400 15231374.5600 828101.6435 960949.1380 603915.8463 L-valine 2721499.0290 2908545.1140 2850784.8860 2139415.2570 2156777.6570 3690785.4290 2967169.4570 2642395.0570 3038627.2000 4209427.3430 5074518.8290 2835766.6290 1186169.5140 1275831.3140 3105100.8290 2704862.5430 1145783.1430 776180.5714 1973007.8570 2460934.1710 4534198.9430 4168419.5140 4189058.8570 4937348.9710 4273323.1140 4433723.0290 6940181.3140 5424715.9710 2726222.7430 2184141.6000 5348453.5140 4847709.5430 1262116.0290 935950.1429 547684.6857 598508.8000 1528168.4570 1429301.8570 1223276.2570 1000306.1140 3767877.6000 2694103.9710 3778322.6000 3423623.5710 1962458.0570 2112223.9430 1523637.0000 2545522.0860 2287420.0860 2092599.7430 2288071.0570 2655624.3430 2255560.0860 2319085.1430 3052142.7710 3592388.0570 2343807.0290 2780673.0570 2561491.8570 2701010.1430 3380985.4860 2188734.4570 337033.6571 323862.6857 1165979.7140 1210929.5140 3171015.2290 3573109.6570 1322572.2860 1513599.6570 1656886.7710 1659430.0860 3944383.9430 4863378.8000 3395182.8290 3948446.2860 2196006.0860 2085863.4860 2739620.5430 1948791.9710 3487033.0000 3776163.1710 3503500.0860 2529861.5430 3474791.2290 5852916.6000 3649679.9430 3556947.1430 3911823.5430 3734910.8000 4325794.8290 4443889.1430 1163274.2570 1332274.8570 4100846.0290 2675561.8290 1445833.8000 1703103.3140 2638770.6570 2090018.8000 5534007.6000 3416263.0570 5004230.0000 6071192.6570 7899725.8570 6821987.8000 7247836.0860 7277877.5430 3019573.0570 3058773.2860 6044744.7710 7270232.8000 1078386.9430 924984.1429 637482.1429 706747.9714 1810507.5710 881947.8571 1138561.7430 1151988.9140 4843674.6570 4485804.0000 3322453.9140 5709436.2000 2222457.5140 2839809.8000 3566525.4860 3869131.5710 2406593.2570 2068322.1140 2710099.7140 3362036.0000 3146033.0290 3197464.4860 4669325.7710 4351483.3710 2717446.7430 1350389.0000 2940279.4860 2750391.4000 3311920.7140 3054957.2000 338944.2857 380604.8571 1646659.1710 1648979.6570 4143466.4860 4285272.6570 3161705.1710 3340912.4290 3852405.4000 3466048.9710 5388333.7430 6486863.3710 3684336.1710 4649713.1140 3418171.4860 2661095.3140 1946709.9710 2663459.8000 melibiose 993411.7714 859283.0857 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1680267.4570 1839191.7430 0.0000 0.0000 0.0000 0.0000 485793.5143 462302.2286 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4357837.8860 4487895.7710 0.0000 0.0000 1942249.7140 2220568.3430 0.0000 0.0000 0.0000 0.0000 212671.3143 94943.6571 0.0000 0.0000 1489778.9710 1499801.5430 3515056.8570 3681046.2860 0.0000 0.0000 0.0000 0.0000 1454806.6290 1433874.8570 868265.8286 973079.0571 0.0000 0.0000 0.0000 0.0000 0.0000 783860.5429 32480244.0600 34465481.1400 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 438630.7714 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 787626.1714 864797.7143 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 791777.0857 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5302619.6570 4664418.7430 0.0000 0.0000 2967066.5140 2667041.8290 0.0000 261297.5714 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1967577.6000 1920481.6000 3267318.3140 3687161.5430 0.0000 0.0000 1774598.2860 1240537.1430 0.0000 1675052.4570 1276559.6000 816729.7143 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40430286.1700 36979826.4600 0.0000 0.0000 0.0000 0.0000 879591.6000 1026154.3710 0.0000 0.0000 0.0000 0.0000 795531.9714 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1407428.4570 mucic acid 3315789.2380 2169793.7240 3314106.9520 515769.8752 502882.6229 521938.8692 842574.6924 645967.6228 818898.1950 3877730.8290 3458254.6570 1159293.5710 1229069.0860 4455046.9710 4658455.5430 3374482.0000 2942786.3140 4126761.2000 4520860.9140 5482017.0290 5639850.6290 2205167.9430 2054704.3140 3384681.2000 2753111.0000 1942482.7710 2057197.8570 1020539.7140 1056178.7710 3201579.8290 3002867.9710 6882137.7710 5575737.0570 4545029.1140 4591053.8290 10929386.9700 11046637.7100 1264522.2000 1389426.0000 2368337.1140 2586086.3710 1291004.1710 1526618.9140 1021363.3140 1149051.9140 1181403.9710 1167347.2000 813277.6857 799664.8571 3382413.0290 3241906.9710 8852530.8000 9540335.2000 812946.4000 1159529.3430 1244003.4860 1160330.0860 1587186.0000 1527973.3140 1526586.9140 1645314.9140 1927141.0860 1604618.3430 1736150.8860 1141937.6570 2441595.3140 2438990.8000 5635874.4290 6381442.4860 2369932.5140 2267744.4570 244649.2000 241520.8000 6716674.0000 6989860.0000 1679668.5710 1837661.0000 684462.8286 1099880.8860 1018831.3710 1053479.0860 5989453.2290 6081100.0290 1844264.7140 1892898.6000 1042886.3710 974639.2857 1246100.4000 1602565.2570 1730110.2680 1695236.8930 1760823.3490 340359.4726 467218.2806 403042.2798 8627639.7990 8282389.2660 9353756.2880 738662.5524 794243.1001 736251.4459 1953103.8870 2073075.1140 1919814.8510 5261708.2000 5797765.0290 3653668.9430 3793214.9710 11175452.1100 12017496.1100 4741629.0860 4538678.2860 7464757.1710 7223825.6290 5432740.6860 6142730.2860 2841955.0290 3240129.4860 8622882.0860 10472389.0300 3890139.6570 3600667.6290 3639921.1140 3887927.2860 5949888.0000 5868144.3430 12063822.9100 12954909.9400 14920591.7700 13523652.3400 19162389.0300 17725578.0600 4604147.4860 4884311.2000 11811981.0300 10360575.3100 1603741.0860 1271571.8000 1130594.8860 1241953.8570 3058018.8290 3929094.2570 627205.6000 645136.1714 6920640.5140 6591401.9430 11935195.5400 13304253.6000 2005532.9710 2694184.5430 5638998.2290 6283964.7430 5189900.6860 5216292.2000 5716872.0000 5382186.6290 5620888.1140 5665602.2860 7197351.2000 7131442.8570 3139535.0860 3230956.9140 8440218.8000 7638248.1140 5491874.2570 5419201.8570 367425.3143 446905.0000 2698100.5140 2795750.0290 4409785.2860 4507569.5710 4335356.7710 3893719.3140 3534932.7430 3439114.7140 11349087.4300 11626320.8000 5675599.2290 5232596.5430 2356490.1140 2576585.4860 3321267.1710 4512176.5710 3798243.9220 3685966.1300 3956145.1920 348856.4581 429177.8739 395866.2798 N-acetyl-D-mannosamine 2444898.8750 1805218.6610 2495373.5940 234063.0000 197684.0000 253822.4680 570668.7115 293133.6886 547761.5962 4030511.1710 3386893.0570 2404668.7710 2748700.9430 5530842.5140 5581040.6860 2909610.2290 2487689.2860 3595292.7710 3851644.9710 1607969.8860 1651870.3430 2946136.9430 2636589.7140 3841786.8860 3544152.6290 910809.4857 1023696.0000 1006939.2860 1232349.4570 4744346.9430 4328169.3710 4652065.8290 3451404.7140 5154530.5140 5321611.5710 6811878.0000 6832484.9710 2785900.9430 3078532.7140 5420512.6290 6183125.0290 1171575.5710 1426801.6860 515233.7143 623063.7429 2673642.4860 2841736.0000 652622.6000 675623.4286 4140397.1140 3971346.0860 4970360.9140 5507944.5140 1840864.6290 2657468.3430 2280961.9710 1787727.0860 2963648.6290 2840090.4290 2180460.2570 2401480.5710 3500564.9710 2817910.9140 5089218.1140 3363992.3140 1474824.6860 1476229.5430 1665817.0860 1895782.0570 6400146.2000 6291847.2570 276903.5714 289669.0571 1806987.2290 1923953.2290 3398092.4290 3731172.2000 827398.6571 1335137.7710 3187938.3140 3193329.2570 3254539.3430 3503228.3140 3553722.0000 3713719.8570 2556808.0290 2261330.0860 3554233.0290 4543816.9430 1334184.2400 1380875.8880 1462609.6580 123145.0000 122128.3108 64813.1948 5299527.2080 5305473.8910 5670213.7500 242473.0549 383042.3620 338328.7470 1438117.5670 1683907.6750 1643951.4280 2860690.5430 3234221.0000 2278123.7710 2243925.3430 6496554.4570 7052907.4290 3317214.6290 3328997.7430 4057000.6290 3654328.2570 2538816.0570 3241749.9710 1999128.1140 2231142.7430 4791059.2570 5590390.3710 3844945.3140 1074229.4860 2259760.6000 3173903.4290 5303275.1710 5223242.9710 6399113.6290 6950387.2290 8679101.8290 8066942.2290 7892543.7710 8014583.5140 2290276.8000 2463389.2570 6142865.8290 5555505.2290 913855.7429 734711.0571 548710.6000 576541.5714 2530038.6290 3111451.3430 545856.9714 484039.4286 4296411.9710 3867352.4570 3832740.7710 4619013.1140 1614729.5430 2381209.5140 2294925.0570 2427072.2860 3621014.5430 3525045.2000 2758414.2860 2725771.5140 3803731.5430 4080601.5710 5095673.1710 5166996.1430 1353062.3430 1353699.8290 2519936.7140 2237774.3430 5810642.4290 5721208.2290 299848.2857 348311.9429 1371874.9430 1617698.6290 4103065.8290 4140686.2290 1969875.3140 1813622.8570 3735698.7140 3673675.1710 5297441.9430 5310249.2570 5179207.8290 4682771.8860 1670328.3430 1771135.4000 2537158.9430 3464253.8570 3960671.1580 4189318.2150 4033966.6700 95100.9565 130963.0000 135660.0000 N-carbamyl-L-glutamic acid 2218229.0410 1739401.2160 2188629.7850 345828.8521 380664.0755 337564.3418 1186026.6780 1094443.4340 1401022.9980 1225803.9050 1223832.0620 1276405.6900 107909.8772 129145.2777 102659.9622 3130890.4760 3077682.2560 3377588.0600 426538.1987 373023.3595 397448.9024 1024489.1120 1114165.2310 1062629.8910 2650990.8030 2632129.8210 2679094.2910 156587.4798 133872.3241 157839.2623 N-methylanthranilic acid 986308.7638 878373.1715 1136018.2200 118226.0941 85915.2890 0.0000 368915.0095 367668.2189 392277.5465 682967.8589 760883.1472 757145.4829 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 N-methylglutamic acid 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 522272.4057 493635.3943 524335.1586 0.0000 0.0000 0.0000 178341.0709 205738.4256 211903.1370 328779.6993 320695.6085 387700.7669 0.0000 0.0000 0.0000 oxalic acid 2277037.8700 0.0000 2284496.7440 0.0000 90373.9250 0.0000 0.0000 0.0000 0.0000 1657200.9640 1728067.6970 1815246.6450 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 82242.6427 77309.9483 89332.7077 268897.6414 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 pantothenic acid 1064499.0000 951241.7429 771481.0857 853494.8571 1105689.8570 1127335.8000 1710176.9430 1439449.6000 1063243.2000 1167719.5430 1162419.4290 1233831.9430 1087637.0860 982038.6286 740812.9714 742861.8286 790608.9429 846462.6571 1251429.6860 1459867.2000 1751222.7430 1616510.9710 2449415.9430 1824799.0860 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107589028.0000 68563105.1400 126754161.0000 116256949.6000 96706682.1700 122810380.1000 121368169.2000 134780832.6000 61218681.8900 119085395.7000 86728242.0900 48030.8286 59132.7429 114072226.6000 39512992.8300 104912365.5000 101802697.4000 24142742.1100 27586687.0300 108323258.2000 109486697.2000 67343598.2900 173037226.5000 115017046.4000 105682055.9000 87448092.5700 83344447.5400 173015972.3000 170937579.1000 129302773.6000 125286124.3000 70911778.8000 125172298.8000 58570179.4900 71695247.0900 227829927.0000 223416970.8000 231090132.8000 27233083.1200 31071754.1100 30481561.8000 xanthine 81082.0571 66379.2571 3745833.2290 4085527.0860 20251.8000 0.0000 5055168.8570 4202993.5430 7303895.7140 8063503.2860 0.0000 0.0000 4621885.8000 4078971.7710 10040358.3700 9377866.2860 8598299.9710 9014789.1140 3784087.4290 4459547.6000 6627671.6860 5948744.3140 0.0000 0.0000 6085073.3140 6459604.4000 13547853.6900 14135104.0600 0.0000 3076038.6570 0.0000 7836171.8860 3523076.7140 4186175.3140 6497.0571 0.0000 4792385.4000 4994667.9140 1795193.6570 1760599.6860 6822140.9140 6508956.1140 12793492.5700 14321996.5700 0.0000 2680487.2000 2497647.9140 2140933.9710 4914027.7140 4936097.2860 3025361.8290 3314643.9710 4057174.9140 3248663.6290 4811136.6000 3160144.3140 1999120.0290 2070126.6860 7728153.7140 8763600.6290 4955234.4290 5123671.2570 0.0000 0.0000 3347536.6290 3581486.8290 6958049.2570 7443578.5140 1620176.0860 2646416.6570 5066294.6860 5340102.6290 10360520.2300 10813886.9700 7902911.9710 7958804.5140 1348904.4860 1149678.1710 0.0000 3522147.0000 5864926.1140 6497286.3430 3833800.5140 3941153.5430 0.0000 11182.8286 5378875.3140 5087759.6290 8291824.7140 7989512.1710 6163562.9430 7144896.2290 3606177.6570 4249798.4000 10069756.2600 12738295.3700 10299050.2900 9192245.6290 4518099.1140 4888078.6570 7890809.9430 7851913.9140 0.0000 7621934.3710 9155154.5710 8393108.4290 16094720.2600 14779143.4600 0.0000 2913284.4570 0.0000 0.0000 3279660.6570 2489768.1140 0.0000 10990.0000 80968.6286 4847831.9140 1507679.1140 0.0000 6884089.5140 6563347.1430 12770831.3700 14314077.6300 1994660.0570 2723774.2570 2574396.0290 2529662.1430 5197294.0860 5197032.1430 3816254.5430 3585352.0000 4133657.9430 4273679.3430 4946684.6290 4978150.5430 2012427.3140 2149735.6290 9924099.0860 8845561.8570 4825288.8290 4739823.9430 0.0000 0.0000 3450579.6290 3718891.8000 8527462.0000 8511255.7140 3680660.4570 3454589.7710 5770946.4290 5612274.1140 11344690.7700 11569028.4600 10264592.8600 9204643.1710 139297.9429 1162635.3710 0.0000 0.0000 xanthosine 1578008.9300 1164044.9940 1626937.4640 140675.4412 135945.8681 148704.4339 335777.2954 324660.0695 356583.3648 998926.6000 868428.6000 520522.3429 591098.4571 832841.7429 876571.3429 819176.7429 688727.1429 843747.3714 933201.2857 1321785.9710 1359443.2570 240963.2571 176002.1429 1074528.0290 1259120.5430 850327.2286 852647.9429 507745.2571 628989.8286 1219837.2570 1044962.3710 4821197.3140 3723188.7140 716682.4000 680784.5143 1580987.3430 1606047.0860 435958.8000 441347.3714 876038.3429 1042992.0290 109445.7429 125388.2857 42165.0286 142544.4857 635557.2000 635693.2571 191777.0571 174635.5429 1014752.8860 989970.4000 1664931.7140 1824754.5710 280642.4571 505579.6000 591584.2857 553922.7143 705866.3714 696909.3714 568680.6286 617617.7429 685516.6286 539521.7429 760538.2571 539949.1714 368338.2000 404883.3714 0.0000 60588.8000 544083.1429 565150.2000 56403.4286 59403.2286 557257.7143 600173.9714 870028.7714 970403.1714 224254.9429 349629.4000 764415.3429 788897.3429 1138945.0290 1162663.9140 873616.3714 924246.6571 343160.6286 266234.9429 581682.2857 808540.3714 711379.5962 771692.7646 797056.4719 61851.0000 88143.7998 89590.6058 1498727.8300 1631304.4140 1841759.7230 166940.6240 166723.4831 117179.8766 278190.2905 330320.0576 304817.1091 780590.2571 837086.8857 573520.6286 522988.6857 1238258.9140 1332621.4860 953402.1429 851970.7429 1039142.9140 1006943.5140 1233622.4290 1498322.1710 168861.6286 208116.5429 1172724.4000 1372149.4570 1269544.5140 1065391.2860 671063.0571 701286.9714 1358152.4290 1332229.1430 4080503.2570 4344014.6570 1277323.9710 1585415.5430 1936255.2000 1740528.2000 433304.0571 451523.3714 1668587.8570 1438411.2860 107712.6286 87539.8571 96661.4286 141234.0857 579779.3714 677282.4000 150174.8286 85847.3429 1255091.6000 1218377.0290 1509874.1430 1778330.9430 322529.9429 473667.2286 829578.1143 862485.4286 839386.8286 903559.2571 901300.6857 874491.0286 813393.9143 905077.7143 948591.6286 903826.1143 413071.3143 306979.5429 97394.4000 0.0000 551114.8571 534823.0571 75989.3714 96726.8000 624680.0571 643568.3429 1361150.6290 1347204.7430 654396.0000 614094.8286 965203.2571 937741.9429 1476473.0290 1608078.1710 1398838.7430 1287354.1430 322392.0000 275793.8571 437705.2857 723740.7143 642757.9058 599353.7015 605702.8355 265759.5041 303855.6340 316738.9444 xanthurenic acid 2536895.6370 1970302.5260 2856101.9550 280464.7956 308824.6989 248659.2048 576973.3407 556379.9486 574511.8266 1205022.9230 1079886.1660 1232996.4180 219780.1371 194239.7779 162443.6047 3006027.3020 3316386.2400 3753172.4180 190377.8502 190349.1314 223739.9569 506591.9097 582160.6416 553687.9593 1208141.1520 1275499.4480 1258145.2850 67065.9809 75114.1007 81769.9128 xylitol 27721173.5600 21086908.1000 27405472.0100 2766052.8090 3100098.2780 2612840.4420 7245156.5230 6992223.3830 7667820.2930 14065915.4800 14897936.8600 15813146.7400 1311992.3340 1601884.9510 1307756.4330 27892716.1300 28376851.6200 30410067.8400 2468963.5290 2507513.1910 2365610.4260 6301486.9270 6737837.9080 6860482.2510 13563164.9800 13130757.1300 14024991.8000 1159131.1150 1332014.7590 1277099.1710 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 1,3-dihydroxyacetone 670 670 PNNL_ID 1-methyladenosine 27476 PNNL_ID 1-methyl-histidine 92105 92105 PNNL_ID 2,3-dihydroxybutanoic acid 250402 250402 PNNL_ID 2,3-dihydroxybutyric acid 1 PNNL_ID 2,3-dihydroxybutyric acid 2 PNNL_ID 2,3-dihydroxybutyric acid 2 PNNL_ID 2,4-dihydroxybutyric acid 192742 192742 PNNL_ID 2-butyne-1,4-diol 8066 8066 PNNL_ID 2-deoxyribonic acid 11528367 11528367 PNNL_ID 2-hydroxyacrylic acid 1014 37873 PNNL_ID 2-hydroxypyridine 8871 8871 PNNL_ID 2-keto-l-gluconic acid 3035456 PNNL_ID 2-methyl-3-hydroxybutyric acid 160471 160471 PNNL_ID 2-methyl-3-hydroxypropanoic acid 10192563 PNNL_ID 3-(3-hydroxyphenyl)-3-hydroxypropionic acid 102959 102959 PNNL_ID 3,4-dihydroxybutanoic acid 150929 150929 PNNL_ID 3,4-dihydroxybutyric acid 150929 PNNL_ID 3-hydroxy-3-methylglutaric acid 1662 1662 PNNL_ID 3-hydroxyphenylacetic acid 12122 12122 PNNL_ID 3-indoleacetic acid 802 802 PNNL_ID 3-methyl-3-hydroxybutyric acid PNNL_ID 3-methyl-L-histidine 64969 64969 PNNL_ID 4-hydroxyphenylacetic acid 127 127 PNNL_ID 5-hydroxyindole-3-acetic acid 1826 PNNL_ID 7-methylguanine 11361 11361 PNNL_ID 7-methylxanthine 68374 68374 PNNL_ID alpha ketoglutaric acid 51 PNNL_ID aminomalonic acid 100714 100714 PNNL_ID arabitol 94154 94154 PNNL_ID benzoic acid 243 243 PNNL_ID beta-alanine 239 PNNL_ID carbonate ion 767 PNNL_ID cholesterol 5997 PNNL_ID citramalic acid 1081 1081 PNNL_ID citric acid 311 PNNL_ID creatinine 588 PNNL_ID dehydroalanine 123991 123991 PNNL_ID D (+) galactose 439357 PNNL_ID D-glucose 1 64689 5793 PNNL_ID DL-3-aminoisobutyric acid 64956 64956 PNNL_ID DL-isoleucine 6306 791 PNNL_ID D-lyxose 229 65550 PNNL_ID D-malic acid 92824 92824 PNNL_ID D-mannitol 6251 PNNL_ID D-(+)-melezitose 22146589 92817 PNNL_ID D-sorbitol 5780 5780 PNNL_ID D-threitol 169019 169019 PNNL_ID D-xylose 1 644160 PNNL_ID ethanolamine 700 700 PNNL_ID fructose 5984 5984 PNNL_ID fumaric acid 444972 444972 PNNL_ID galacturonic acid 1 152867 PNNL_ID glucoheptonic acid 25588 PNNL_ID gluconic acid 10690 10690 PNNL_ID glucosylglycerol 70640512 PNNL_ID glyceric acid 752 752 PNNL_ID glycerol 11126194 753 PNNL_ID glycerol-3-phosphate 439162 754 PNNL_ID glycine 750 750 PNNL_ID glycolic acid 757 757 PNNL_ID hippuric acid 1 464 PNNL_ID hypoxanthine 790 PNNL_ID inositol 892 892 PNNL_ID isohydroxybutyric acid PNNL_ID lactobionic acid 7314 7314 PNNL_ID lactose 1 6134 PNNL_ID L-alanine 5950 5950 PNNL_ID L-cysteine 5862 5862 PNNL_ID L-cystine 2 67678 PNNL_ID leucrose 165577 165577 PNNL_ID L-(-)-fucose 220001 17106 PNNL_ID L-glutamic acid 33032 33032 PNNL_ID L-glutamine 5961 5961 PNNL_ID L-histidine 6274 6274 PNNL_ID L-(+) lactic acid 107689 PNNL_ID L-lysine 5962 5962 PNNL_ID L-pyroglutamic acid 7405 7405 PNNL_ID L-serine 5951 5951 PNNL_ID L-threonic acid 1 5460407 PNNL_ID L-threonine 6288 6288 PNNL_ID L-tryptophan 6305 6305 PNNL_ID L-valine 6287 6287 PNNL_ID melibiose 440658 872 PNNL_ID mucic acid 3037582 607 PNNL_ID N-acetyl-D-mannosamine 65150 899 PNNL_ID N-carbamyl-L-glutamic acid 3679006 3679006 PNNL_ID N-methylanthranilic acid 67069 67069 PNNL_ID N-methylglutamic acid 439377 268779 PNNL_ID oxalic acid 18676629 971 PNNL_ID pantothenic acid 11777341 6613 PNNL_ID phosphate 45268009 1061 PNNL_ID phosphoric acid 1004 1004 PNNL_ID porphine 5481287 66868 PNNL_ID pseudouridine 15047 15047 PNNL_ID pyruvic acid 1060 PNNL_ID quinic acid 6508 6508 PNNL_ID ribitol 827 PNNL_ID ribose 5779 5779 PNNL_ID succinic acid 8036 1110 PNNL_ID sucrose 5988 5988 PNNL_ID tagatose 92092 92092 PNNL_ID tartaric acid 875 875 PNNL_ID trans-aconitic acid 444212 444212 PNNL_ID trimethyllysine 440120 440121 PNNL_ID uracil 12212752 1174 PNNL_ID urea (partial derivative) 1176 PNNL_ID uric acid 1175 PNNL_ID xanthine 1188 PNNL_ID xanthosine 64959 64959 PNNL_ID xanthurenic acid 5699 5699 PNNL_ID xylitol 6912 PNNL_ID METABOLITES_END #END