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NMR Study

Project uploaded by: Neel Sarovar
Project ID: IMP_100006
Title: Metabolomic Profiling and Serial Changes in Patients with Torso Trauma -A Prospective, cohort, feasible and exploratory study
Project Description: Injury is a major health problem affecting mainly the young productive youth worldwide. Trauma related morbidity and mortality is still high. The trimodal death pattern seen in trauma patients highlights the fact that timing of initiation treatment is critical in the improving the quality of trauma care. The physiological perturbation following severe injury is dynamic over time. This response in an individual patient following severe injury varies considerably and is often one of the major reason for failure in prediction of the clinical course of the patients. Variations in the physiological response and limitation of the conventional laboratory tests are on one hand challenge to health system and on the other they provide opportunities to develop novel technologies to provide individual tailored health care, which comes under the realm of precision medicine. In the current study we will perform metabolic profiling of urine and plasma from trauma patients to dissect serial changes in metabolites and correlate them with the final clinical outcome. The results obtained in this study will help in charactering and quantifying the changes in metabolites over time after injury and in addition may help inn identifying the potential biomarkers of multiorgan dysfunction that could be used in future for intervention to reduce mortality and morbidity. Further, we will study how the metabolic dysregulation during injury is presented and correlated in urine and plasma. Such an analysis will help in exploring the feasibility of using only urine, a non-invasive biofluid, for high-throughput, efficient and painless test for delivering precision care after an injury.
Research Area: Biological Sciences
Funding Source: ICGEB core funds, AIIMS core funds, SERB, ANRF
Project Contributors: Arun Kumar Malaisamy, Abhinav Kumar and Neel Sarovar Bhavesh

Study uploaded by: Neel Sarovar
Study ID: IMS_100031
Title: Metabolomic Profiling and Serial Changes in Patients with Torso Trauma -A Prospective, cohort, feasible and exploratory study
Summary: Injury is a leading cause of morbidity and mortality, particularly among younger populations. Metabolic disruptions following trauma can provide early diagnostic insights before clinical deterioration occurs. This prospective observational study included 5535 acutely injured patients from February 2022 to March 2025, with 60 hemodynamically stable patients with isolated torso trauma being recruited. Urine samples were collected on days 1, 3, and 5 post-injury and analyzed using NMR-based metabolomics. Multivariate analyses, including Principal Component Analysis (PCA) and Partial Least Squares Discriminant Analysis (PLS-DA), were conducted to identify trauma severity-associated metabolites, and pathway analysis was performed to determine affected metabolic pathways. The cohort had a median age of 37 years, with road traffic injuries (RTI) being the most prevalent cause of trauma. The median time to emergency department presentation was 2.43 hours. Among the patients, 25% had isolated chest injuries, 38% had isolated torso injuries, and 37% had combined injuries. No fatalities were reported. Sixty metabolites were identified, with notable metabolic perturbations associated with trauma severity. Increased glucose levels, coupled with decreased lactate and pyruvate levels, suggested impaired glycolysis. Reduced levels of branched-chain amino acids (BCAA) and tricarboxylic acid (TCA) cycle intermediates indicated potential mitochondrial dysfunction. Furthermore, gut microbial metabolites such as hippurate and 2-hydroxyisobutyrate (2-HIB) were reduced, indicating dysbiosis. Metabolomics effectively characterized metabolic alterations in isolated torso trauma patients, revealing significant disruptions in oxidative stress markers, TCA cycle intermediates, BCAA metabolism, and gut microbiota-derived metabolites. These findings underscore the systemic impact of trauma and suggest potential therapeutic targets, such as targeted metabolite supplementation, to mitigate metabolic dysfunction and support recovery. Incorporating metabolomics into clinical practice offers a promising approach for dynamic, personalized trauma management.
Keywords: NMR spectroscopy, metabolomics, torso Trauma, oxidative metabolites, biomarker
Publication:
Release Date: May 15, 2026
Study Type: Nuclear Magnetic Resonance (NMR)
Data Type: Untargeted
IEC/IBSC Approval Number : IEC-118/05.04.2019, RP-22/2019; ICGEB/IEC/2021/30, version 2

Sr.No Sample ID Sample Name Organism Source Sample Preparation Protocol Sample Type Experimental Condition Time of treatment Variant/Variety Gender Age Replicates Storage Conditions Extraction Protocol Number of files per sample
1 IMSM_101666 ex1 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 27 NA -80

NA
2 IMSM_101667 ex10 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 19 NA -80

NA
3 IMSM_101668 ex101 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 60 NA -80

NA
4 IMSM_101669 ex104 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 58 NA -80

NA
5 IMSM_101670 ex107 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 38 NA -80

NA
6 IMSM_101671 ex110 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 36 NA -80

NA
7 IMSM_101672 ex113 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 30 NA -80

NA
8 IMSM_101673 ex116 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 40 NA -80

NA
9 IMSM_101674 ex119 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 40 NA -80

NA
10 IMSM_101675 ex122 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 42 NA -80

NA
11 IMSM_101676 ex125 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 54 NA -80

NA
12 IMSM_101677 ex128 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 18 NA -80

NA
13 IMSM_101678 ex131 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 39 NA -80

NA
14 IMSM_101679 ex134 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 42 NA -80

NA
15 IMSM_101680 ex137 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 41 NA -80

NA
16 IMSM_101681 ex140 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 20 NA -80

NA
17 IMSM_101682 ex143 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 50 NA -80

NA
18 IMSM_101683 ex146 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 56 NA -80

NA
19 IMSM_101684 ex149 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 37 NA -80

NA
20 IMSM_101685 ex152 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 30 NA -80

NA
21 IMSM_101686 ex158 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 23 NA -80

NA
22 IMSM_101687 ex16 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 40 NA -80

NA
23 IMSM_101688 ex161 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 46 NA -80

NA
24 IMSM_101689 ex164 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 32 NA -80

NA
25 IMSM_101690 ex173 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 65 NA -80

NA
26 IMSM_101691 ex176 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 36 NA -80

NA
27 IMSM_101692 ex179 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 63 NA -80

NA
28 IMSM_101693 ex182 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 45 NA -80

NA
29 IMSM_101694 ex185 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 18 NA -80

NA
30 IMSM_101695 ex188 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 22 NA -80

NA
31 IMSM_101696 ex19 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 49 NA -80

NA
32 IMSM_101697 ex191 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 38 NA -80

NA
33 IMSM_101698 ex22 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 23 NA -80

NA
34 IMSM_101699 ex25 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 27 NA -80

NA
35 IMSM_101700 ex28 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 50 NA -80

NA
36 IMSM_101701 ex31 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 27 NA -80

NA
37 IMSM_101702 ex34 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 22 NA -80

NA
38 IMSM_101703 ex37 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 21 NA -80

NA
39 IMSM_101704 ex4 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 22 NA -80

NA
40 IMSM_101705 ex40 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 30 NA -80

NA
41 IMSM_101706 ex43 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 55 NA -80

NA
42 IMSM_101707 ex46 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 52 NA -80

NA
43 IMSM_101708 ex49 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 25 NA -80

NA
44 IMSM_101709 ex52 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 40 NA -80

NA
45 IMSM_101710 ex55 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 27 NA -80

NA
46 IMSM_101711 ex58 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 28 NA -80

NA
47 IMSM_101712 ex61 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 21 NA -80

NA
48 IMSM_101713 ex64 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 18 NA -80

NA
49 IMSM_101714 ex67 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 40 NA -80

NA
50 IMSM_101715 ex7 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 40 NA -80

NA
51 IMSM_101716 ex70 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 48 NA -80

NA
52 IMSM_101717 ex73 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 62 NA -80

NA
53 IMSM_101718 ex76 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 18 NA -80

NA
54 IMSM_101719 ex79 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 28 NA -80

NA
55 IMSM_101720 ex82 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 22 NA -80

NA
56 IMSM_101721 ex85 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 31 NA -80

NA
57 IMSM_101722 ex89 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 27 NA -80

NA
58 IMSM_101723 ex92 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 55 NA -80

NA
59 IMSM_101724 ex95 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 42 NA -80

NA
60 IMSM_101725 ex98 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 1 NA Male 27 NA -80

NA
61 IMSM_101726 ex102 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 27 NA -80

NA
62 IMSM_101727 ex105 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 19 NA -80

NA
63 IMSM_101728 ex108 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 60 NA -80

NA
64 IMSM_101729 ex11 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 58 NA -80

NA
65 IMSM_101730 ex111 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 38 NA -80

NA
66 IMSM_101731 ex114 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 36 NA -80

NA
67 IMSM_101732 ex117 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 30 NA -80

NA
68 IMSM_101733 ex120 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 40 NA -80

NA
69 IMSM_101734 ex123 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 40 NA -80

NA
70 IMSM_101735 ex126 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 42 NA -80

NA
71 IMSM_101736 ex129 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 54 NA -80

NA
72 IMSM_101737 ex132 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 18 NA -80

NA
73 IMSM_101738 ex135 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 39 NA -80

NA
74 IMSM_101739 ex138 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 42 NA -80

NA
75 IMSM_101740 ex141 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 41 NA -80

NA
76 IMSM_101741 ex144 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 20 NA -80

NA
77 IMSM_101742 ex147 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 50 NA -80

NA
78 IMSM_101743 ex150 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 56 NA -80

NA
79 IMSM_101744 ex153 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 37 NA -80

NA
80 IMSM_101745 ex159 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 30 NA -80

NA
81 IMSM_101746 ex162 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 23 NA -80

NA
82 IMSM_101747 ex165 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 40 NA -80

NA
83 IMSM_101748 ex17 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 46 NA -80

NA
84 IMSM_101749 ex174 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 32 NA -80

NA
85 IMSM_101750 ex177 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 65 NA -80

NA
86 IMSM_101751 ex180 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 36 NA -80

NA
87 IMSM_101752 ex183 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 63 NA -80

NA
88 IMSM_101753 ex186 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 45 NA -80

NA
89 IMSM_101754 ex189 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 18 NA -80

NA
90 IMSM_101755 ex192 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 22 NA -80

NA
91 IMSM_101756 ex2 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 49 NA -80

NA
92 IMSM_101757 ex20 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 38 NA -80

NA
93 IMSM_101758 ex23 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 23 NA -80

NA
94 IMSM_101759 ex26 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 27 NA -80

NA
95 IMSM_101760 ex29 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 50 NA -80

NA
96 IMSM_101761 ex32 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 27 NA -80

NA
97 IMSM_101762 ex35 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 22 NA -80

NA
98 IMSM_101763 ex38 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 21 NA -80

NA
99 IMSM_101764 ex41 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 22 NA -80

NA
100 IMSM_101765 ex44 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 30 NA -80

NA
101 IMSM_101766 ex47 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 55 NA -80

NA
102 IMSM_101767 ex5 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 52 NA -80

NA
103 IMSM_101768 ex50 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 25 NA -80

NA
104 IMSM_101769 ex53 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 40 NA -80

NA
105 IMSM_101770 ex56 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 27 NA -80

NA
106 IMSM_101771 ex59 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 28 NA -80

NA
107 IMSM_101772 ex62 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 21 NA -80

NA
108 IMSM_101773 ex65 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 18 NA -80

NA
109 IMSM_101774 ex68 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 40 NA -80

NA
110 IMSM_101775 ex71 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 40 NA -80

NA
111 IMSM_101776 ex74 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 48 NA -80

NA
112 IMSM_101777 ex77 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 62 NA -80

NA
113 IMSM_101778 ex8 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 18 NA -80

NA
114 IMSM_101779 ex80 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 28 NA -80

NA
115 IMSM_101780 ex83 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 22 NA -80

NA
116 IMSM_101781 ex87 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 31 NA -80

NA
117 IMSM_101782 ex90 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 27 NA -80

NA
118 IMSM_101783 ex93 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 55 NA -80

NA
119 IMSM_101784 ex96 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 42 NA -80

NA
120 IMSM_101785 ex99 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 3 NA Male 27 NA -80

NA
121 IMSM_101786 ex100 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 27 NA -80

NA
122 IMSM_101787 ex103 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 19 NA -80

NA
123 IMSM_101788 ex106 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 60 NA -80

NA
124 IMSM_101789 ex109 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 58 NA -80

NA
125 IMSM_101790 ex112 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 38 NA -80

NA
126 IMSM_101791 ex115 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 36 NA -80

NA
127 IMSM_101792 ex118 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 30 NA -80

NA
128 IMSM_101793 ex12 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 40 NA -80

NA
129 IMSM_101794 ex121 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 40 NA -80

NA
130 IMSM_101795 ex124 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 42 NA -80

NA
131 IMSM_101796 ex127 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 54 NA -80

NA
132 IMSM_101797 ex130 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 18 NA -80

NA
133 IMSM_101798 ex133 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 39 NA -80

NA
134 IMSM_101799 ex136 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 42 NA -80

NA
135 IMSM_101800 ex139 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 41 NA -80

NA
136 IMSM_101801 ex142 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 20 NA -80

NA
137 IMSM_101802 ex145 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 50 NA -80

NA
138 IMSM_101803 ex148 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 56 NA -80

NA
139 IMSM_101804 ex151 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 37 NA -80

NA
140 IMSM_101805 ex154 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 30 NA -80

NA
141 IMSM_101806 ex160 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 23 NA -80

NA
142 IMSM_101807 ex163 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 40 NA -80

NA
143 IMSM_101808 ex166 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 46 NA -80

NA
144 IMSM_101809 ex175 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 32 NA -80

NA
145 IMSM_101810 ex178 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 65 NA -80

NA
146 IMSM_101811 ex18 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 36 NA -80

NA
147 IMSM_101812 ex181 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 63 NA -80

NA
148 IMSM_101813 ex184 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 45 NA -80

NA
149 IMSM_101814 ex187 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 18 NA -80

NA
150 IMSM_101815 ex190 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 22 NA -80

NA
151 IMSM_101816 ex193 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 49 NA -80

NA
152 IMSM_101817 ex21 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 38 NA -80

NA
153 IMSM_101818 ex24 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 23 NA -80

NA
154 IMSM_101819 ex27 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 27 NA -80

NA
155 IMSM_101820 ex3 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 50 NA -80

NA
156 IMSM_101821 ex30 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 27 NA -80

NA
157 IMSM_101822 ex33 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 22 NA -80

NA
158 IMSM_101823 ex36 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 21 NA -80

NA
159 IMSM_101824 ex39 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 22 NA -80

NA
160 IMSM_101825 ex42 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 30 NA -80

NA
161 IMSM_101826 ex45 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 55 NA -80

NA
162 IMSM_101827 ex48 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 52 NA -80

NA
163 IMSM_101828 ex51 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 25 NA -80

NA
164 IMSM_101829 ex54 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 40 NA -80

NA
165 IMSM_101830 ex57 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 27 NA -80

NA
166 IMSM_101831 ex6 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 28 NA -80

NA
167 IMSM_101832 ex60 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 21 NA -80

NA
168 IMSM_101833 ex63 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 18 NA -80

NA
169 IMSM_101834 ex66 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 40 NA -80

NA
170 IMSM_101835 ex69 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 40 NA -80

NA
171 IMSM_101836 ex72 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 48 NA -80

NA
172 IMSM_101837 ex75 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 62 NA -80

NA
173 IMSM_101838 ex78 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 18 NA -80

NA
174 IMSM_101839 ex81 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 28 NA -80

NA
175 IMSM_101840 ex84 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 22 NA -80

NA
176 IMSM_101841 ex88 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 31 NA -80

NA
177 IMSM_101842 ex9 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 27 NA -80

NA
178 IMSM_101843 ex91 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 55 NA -80

NA
179 IMSM_101844 ex94 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day 5 NA Male 42 NA -80

NA
180 IMSM_101845 ex97 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Torso NA Day1 NA Male 27 NA -80

NA
181 IMSM_101846 C1 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day2 NA Male 49 NA -80

NA
182 IMSM_101847 C2 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day3 NA Male 38 NA -80

NA
183 IMSM_101848 C3 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day4 NA Male 23 NA -80

NA
184 IMSM_101849 C4 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day5 NA Male 27 NA -80

NA
185 IMSM_101850 C5 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day6 NA Male 50 NA -80

NA
186 IMSM_101851 C6 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day7 NA Male 27 NA -80

NA
187 IMSM_101852 C7 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day8 NA Male 22 NA -80

NA
188 IMSM_101853 C8 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day9 NA Male 21 NA -80

NA
189 IMSM_101854 C9 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day10 NA Male 22 NA -80

NA
190 IMSM_101855 C10 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day11 NA Male 30 NA -80

NA
191 IMSM_101856 C11 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day12 NA Male 55 NA -80

NA
192 IMSM_101857 C12 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day13 NA Male 52 NA -80

NA
193 IMSM_101858 C13 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day14 NA Male 25 NA -80

NA
194 IMSM_101859 C14 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day15 NA Male 40 NA -80

NA
195 IMSM_101860 C15 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day16 NA Male 27 NA -80

NA
196 IMSM_101861 C16 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day17 NA Male 28 NA -80

NA
197 IMSM_101862 C17 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day18 NA Male 21 NA -80

NA
198 IMSM_101863 C18 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day19 NA Male 18 NA -80

NA
199 IMSM_101864 C19 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day20 NA Male 40 NA -80

NA
200 IMSM_101865 C20 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day21 NA Male 40 NA -80

NA
201 IMSM_101866 C21 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day22 NA Male 48 NA -80

NA
202 IMSM_101867 C22 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day23 NA Male 62 NA -80

NA
203 IMSM_101868 C23 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day24 NA Male 18 NA -80

NA
204 IMSM_101869 C24 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day25 NA Male 28 NA -80

NA
205 IMSM_101870 C25 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day26 NA Male 22 NA -80

NA
206 IMSM_101871 C26 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day27 NA Male 31 NA -80

NA
207 IMSM_101872 C27 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day28 NA Male 27 NA -80

NA
208 IMSM_101873 C28 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day29 NA Male 55 NA -80

NA
209 IMSM_101874 C29 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day30 NA Male 42 NA -80

NA
210 IMSM_101875 C30 Homo sapiens Urine For NMR analysis, urine samples were thawed, and 0.5 ml aliquots were placed into a 1.5 ml centrifuge tube. The samples were centrifuged at 10000 g at 4 °C for 10 minutes to eliminate solid debris. Subsequently, 180 µl of clear supernatant (metabolite) was transferred to a fresh centrifuge tube, and mixed gently with 20 µl of NMR buffer, consisting of 1.5 M KH2PO4, 2 mM NaN3, 5.8 mM TSP in D2O pH 7.4). The resulting solutions were transferred to individual 3 mm NMR tubes for spectra acquisition Control NA Day31 NA Male 27 NA -80

NA

Sr.No NMR Exp ID Sample Name/ID Reference Standard NMR Instrument Name NMR Instrument Type NMR Experiment Type NMR Spectrometer Frequency NMR Probe NMR Probe temperature NMR Solvent NMR tube size Data Transformation (Software/s Used)
1 IME_100911 ex1 / IMSM_101666 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
2 IME_100912 ex10 / IMSM_101667 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
3 IME_100913 ex101 / IMSM_101668 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
4 IME_100914 ex104 / IMSM_101669 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
5 IME_100915 ex107 / IMSM_101670 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
6 IME_100916 ex110 / IMSM_101671 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
7 IME_100917 ex113 / IMSM_101672 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
8 IME_100918 ex116 / IMSM_101673 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
9 IME_100919 ex119 / IMSM_101674 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
10 IME_100920 ex122 / IMSM_101675 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
11 IME_100921 ex125 / IMSM_101676 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
12 IME_100922 ex128 / IMSM_101677 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
13 IME_100923 ex131 / IMSM_101678 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
14 IME_100924 ex134 / IMSM_101679 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
15 IME_100925 ex137 / IMSM_101680 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
16 IME_100926 ex140 / IMSM_101681 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
17 IME_100927 ex143 / IMSM_101682 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
18 IME_100928 ex146 / IMSM_101683 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
19 IME_100929 ex149 / IMSM_101684 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
20 IME_100930 ex152 / IMSM_101685 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
21 IME_100931 ex158 / IMSM_101686 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
22 IME_100932 ex16 / IMSM_101687 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
23 IME_100933 ex161 / IMSM_101688 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
24 IME_100934 ex164 / IMSM_101689 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
25 IME_100935 ex173 / IMSM_101690 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
26 IME_100936 ex176 / IMSM_101691 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
27 IME_100937 ex179 / IMSM_101692 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
28 IME_100938 ex182 / IMSM_101693 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
29 IME_100939 ex185 / IMSM_101694 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
30 IME_100940 ex188 / IMSM_101695 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
31 IME_100941 ex19 / IMSM_101696 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
32 IME_100942 ex191 / IMSM_101697 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
33 IME_100943 ex22 / IMSM_101698 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
34 IME_100944 ex25 / IMSM_101699 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
35 IME_100945 ex28 / IMSM_101700 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
36 IME_100946 ex31 / IMSM_101701 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
37 IME_100947 ex34 / IMSM_101702 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
38 IME_100948 ex37 / IMSM_101703 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
39 IME_100949 ex4 / IMSM_101704 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
40 IME_100950 ex40 / IMSM_101705 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
41 IME_100951 ex43 / IMSM_101706 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
42 IME_100952 ex46 / IMSM_101707 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
43 IME_100953 ex49 / IMSM_101708 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
44 IME_100954 ex52 / IMSM_101709 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
45 IME_100955 ex55 / IMSM_101710 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
46 IME_100956 ex58 / IMSM_101711 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
47 IME_100957 ex61 / IMSM_101712 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
48 IME_100958 ex64 / IMSM_101713 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
49 IME_100959 ex67 / IMSM_101714 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
50 IME_100960 ex7 / IMSM_101715 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
51 IME_100961 ex70 / IMSM_101716 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
52 IME_100962 ex73 / IMSM_101717 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
53 IME_100963 ex76 / IMSM_101718 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
54 IME_100964 ex79 / IMSM_101719 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
55 IME_100965 ex82 / IMSM_101720 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
56 IME_100966 ex85 / IMSM_101721 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
57 IME_100967 ex89 / IMSM_101722 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
58 IME_100968 ex92 / IMSM_101723 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
59 IME_100969 ex95 / IMSM_101724 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
60 IME_100970 ex98 / IMSM_101725 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
61 IME_100971 ex102 / IMSM_101726 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
62 IME_100972 ex105 / IMSM_101727 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
63 IME_100973 ex108 / IMSM_101728 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
64 IME_100974 ex11 / IMSM_101729 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
65 IME_100975 ex111 / IMSM_101730 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
66 IME_100976 ex114 / IMSM_101731 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
67 IME_100977 ex117 / IMSM_101732 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
68 IME_100978 ex120 / IMSM_101733 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
69 IME_100979 ex123 / IMSM_101734 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
70 IME_100980 ex126 / IMSM_101735 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
71 IME_100981 ex129 / IMSM_101736 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
72 IME_100982 ex132 / IMSM_101737 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
73 IME_100983 ex135 / IMSM_101738 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
74 IME_100984 ex138 / IMSM_101739 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
75 IME_100985 ex141 / IMSM_101740 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
76 IME_100986 ex144 / IMSM_101741 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
77 IME_100987 ex147 / IMSM_101742 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
78 IME_100988 ex150 / IMSM_101743 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
79 IME_100989 ex153 / IMSM_101744 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
80 IME_100990 ex159 / IMSM_101745 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
81 IME_100991 ex162 / IMSM_101746 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
82 IME_100992 ex165 / IMSM_101747 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
83 IME_100993 ex17 / IMSM_101748 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
84 IME_100994 ex174 / IMSM_101749 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
85 IME_100995 ex177 / IMSM_101750 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
86 IME_100996 ex180 / IMSM_101751 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
87 IME_100997 ex183 / IMSM_101752 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
88 IME_100998 ex186 / IMSM_101753 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
89 IME_100999 ex189 / IMSM_101754 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
90 IME_101000 ex192 / IMSM_101755 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
91 IME_101001 ex2 / IMSM_101756 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
92 IME_101002 ex20 / IMSM_101757 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
93 IME_101003 ex23 / IMSM_101758 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
94 IME_101004 ex26 / IMSM_101759 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
95 IME_101005 ex29 / IMSM_101760 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
96 IME_101006 ex32 / IMSM_101761 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
97 IME_101007 ex35 / IMSM_101762 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
98 IME_101008 ex38 / IMSM_101763 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
99 IME_101009 ex41 / IMSM_101764 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
100 IME_101010 ex44 / IMSM_101765 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
101 IME_101011 ex47 / IMSM_101766 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
102 IME_101012 ex5 / IMSM_101767 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
103 IME_101013 ex50 / IMSM_101768 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
104 IME_101014 ex53 / IMSM_101769 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
105 IME_101015 ex56 / IMSM_101770 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
106 IME_101016 ex59 / IMSM_101771 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
107 IME_101017 ex62 / IMSM_101772 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
108 IME_101018 ex65 / IMSM_101773 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
109 IME_101019 ex68 / IMSM_101774 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
110 IME_101020 ex71 / IMSM_101775 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
111 IME_101021 ex74 / IMSM_101776 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
112 IME_101022 ex77 / IMSM_101777 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
113 IME_101023 ex8 / IMSM_101778 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
114 IME_101024 ex80 / IMSM_101779 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
115 IME_101025 ex83 / IMSM_101780 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
116 IME_101026 ex87 / IMSM_101781 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
117 IME_101027 ex90 / IMSM_101782 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
118 IME_101028 ex93 / IMSM_101783 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
119 IME_101029 ex96 / IMSM_101784 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
120 IME_101030 ex99 / IMSM_101785 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
121 IME_101031 ex100 / IMSM_101786 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
122 IME_101032 ex103 / IMSM_101787 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
123 IME_101033 ex106 / IMSM_101788 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
124 IME_101034 ex109 / IMSM_101789 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
125 IME_101035 ex112 / IMSM_101790 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
126 IME_101036 ex115 / IMSM_101791 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
127 IME_101037 ex118 / IMSM_101792 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
128 IME_101038 ex12 / IMSM_101793 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
129 IME_101039 ex121 / IMSM_101794 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
130 IME_101040 ex124 / IMSM_101795 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
131 IME_101041 ex127 / IMSM_101796 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
132 IME_101042 ex130 / IMSM_101797 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
133 IME_101043 ex133 / IMSM_101798 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
134 IME_101044 ex136 / IMSM_101799 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
135 IME_101045 ex139 / IMSM_101800 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
136 IME_101046 ex142 / IMSM_101801 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
137 IME_101047 ex145 / IMSM_101802 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
138 IME_101048 ex148 / IMSM_101803 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
139 IME_101049 ex151 / IMSM_101804 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
140 IME_101050 ex154 / IMSM_101805 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
141 IME_101051 ex160 / IMSM_101806 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
142 IME_101052 ex163 / IMSM_101807 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
143 IME_101053 ex166 / IMSM_101808 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
144 IME_101054 ex175 / IMSM_101809 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
145 IME_101055 ex178 / IMSM_101810 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
146 IME_101056 ex18 / IMSM_101811 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
147 IME_101057 ex181 / IMSM_101812 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
148 IME_101058 ex184 / IMSM_101813 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
149 IME_101059 ex187 / IMSM_101814 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
150 IME_101060 ex190 / IMSM_101815 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
151 IME_101061 ex193 / IMSM_101816 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
152 IME_101062 ex21 / IMSM_101817 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
153 IME_101063 ex24 / IMSM_101818 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
154 IME_101064 ex27 / IMSM_101819 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
155 IME_101065 ex3 / IMSM_101820 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
156 IME_101066 ex30 / IMSM_101821 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
157 IME_101067 ex33 / IMSM_101822 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
158 IME_101068 ex36 / IMSM_101823 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
159 IME_101069 ex39 / IMSM_101824 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
160 IME_101070 ex42 / IMSM_101825 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
161 IME_101071 ex45 / IMSM_101826 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
162 IME_101072 ex48 / IMSM_101827 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
163 IME_101073 ex51 / IMSM_101828 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
164 IME_101074 ex54 / IMSM_101829 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
165 IME_101075 ex57 / IMSM_101830 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
166 IME_101076 ex6 / IMSM_101831 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
167 IME_101077 ex60 / IMSM_101832 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
168 IME_101078 ex63 / IMSM_101833 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
169 IME_101079 ex66 / IMSM_101834 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
170 IME_101080 ex69 / IMSM_101835 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
171 IME_101081 ex72 / IMSM_101836 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
172 IME_101082 ex75 / IMSM_101837 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
173 IME_101083 ex78 / IMSM_101838 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
174 IME_101084 ex81 / IMSM_101839 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
175 IME_101085 ex84 / IMSM_101840 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
176 IME_101086 ex88 / IMSM_101841 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
177 IME_101087 ex9 / IMSM_101842 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
178 IME_101088 ex91 / IMSM_101843 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
179 IME_101089 ex94 / IMSM_101844 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
180 IME_101090 ex97 / IMSM_101845 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
181 IME_101091 C1 / IMSM_101846 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
182 IME_101092 C2 / IMSM_101847 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
183 IME_101093 C3 / IMSM_101848 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
184 IME_101094 C4 / IMSM_101849 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
185 IME_101095 C5 / IMSM_101850 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
186 IME_101096 C6 / IMSM_101851 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
187 IME_101097 C7 / IMSM_101852 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
188 IME_101098 C8 / IMSM_101853 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
189 IME_101099 C9 / IMSM_101854 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
190 IME_101100 C10 / IMSM_101855 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
191 IME_101101 C11 / IMSM_101856 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
192 IME_101102 C12 / IMSM_101857 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
193 IME_101103 C13 / IMSM_101858 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
194 IME_101104 C14 / IMSM_101859 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
195 IME_101105 C15 / IMSM_101860 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
196 IME_101106 C16 / IMSM_101861 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
197 IME_101107 C17 / IMSM_101862 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
198 IME_101108 C18 / IMSM_101863 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
199 IME_101109 C19 / IMSM_101864 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
200 IME_101110 C20 / IMSM_101865 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
201 IME_101111 C21 / IMSM_101866 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
202 IME_101112 C22 / IMSM_101867 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
203 IME_101113 C23 / IMSM_101868 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
204 IME_101114 C24 / IMSM_101869 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
205 IME_101115 C25 / IMSM_101870 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
206 IME_101116 C26 / IMSM_101871 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
207 IME_101117 C27 / IMSM_101872 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
208 IME_101118 C28 / IMSM_101873 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
209 IME_101119 C29 / IMSM_101874 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA
210 IME_101120 C30 / IMSM_101875 TSP Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 5mm NA

Sr.No First name Last name Email Organization Designation
1 Neel Sarovar Bhavesh neelsb@icgeb.res.in ICGEB principal_investigator
2 Abhinav Kumar drabhinav1975@gmail.com AIIMS co_principal_investigator
3 Arun Kumar Malaisamy makias191@gmail.com ICGEB research_scholar

Sr.No ftprun ID NMR Exp ID NMR Data Files
1 IMR_101510 IME_100911 1.zip
2 IMR_101511 IME_100912 10.zip
3 IMR_101512 IME_100913 100.zip
4 IMR_101513 IME_100914 101.zip
5 IMR_101514 IME_100915 102.zip
6 IMR_101515 IME_100916 103.zip
7 IMR_101516 IME_100917 104.zip
8 IMR_101517 IME_100918 105.zip
9 IMR_101518 IME_100919 106.zip
10 IMR_101519 IME_100920 107.zip
11 IMR_101520 IME_100921 108.zip
12 IMR_101521 IME_100922 109.zip
13 IMR_101522 IME_100923 11.zip
14 IMR_101523 IME_100924 110.zip
15 IMR_101524 IME_100925 111.zip
16 IMR_101525 IME_100926 112.zip
17 IMR_101526 IME_100927 113.zip
18 IMR_101527 IME_100928 114.zip
19 IMR_101528 IME_100929 115.zip
20 IMR_101529 IME_100930 116.zip
21 IMR_101530 IME_100931 117.zip
22 IMR_101531 IME_100932 118.zip
23 IMR_101532 IME_100933 119.zip
24 IMR_101533 IME_100934 12.zip
25 IMR_101534 IME_100935 120.zip
26 IMR_101535 IME_100936 121.zip
27 IMR_101536 IME_100937 122.zip
28 IMR_101537 IME_100938 123.zip
29 IMR_101538 IME_100939 124.zip
30 IMR_101539 IME_100940 125.zip
31 IMR_101540 IME_100941 126.zip
32 IMR_101541 IME_100942 127.zip
33 IMR_101542 IME_100943 128.zip
34 IMR_101543 IME_100944 129.zip
35 IMR_101544 IME_100945 130.zip
36 IMR_101545 IME_100946 131.zip
37 IMR_101546 IME_100947 132.zip
38 IMR_101547 IME_100948 133.zip
39 IMR_101548 IME_100949 134.zip
40 IMR_101549 IME_100950 135.zip
41 IMR_101550 IME_100951 136.zip
42 IMR_101551 IME_100952 137.zip
43 IMR_101552 IME_100953 138.zip
44 IMR_101553 IME_100954 139.zip
45 IMR_101554 IME_100955 140.zip
46 IMR_101555 IME_100956 141.zip
47 IMR_101556 IME_100957 142.zip
48 IMR_101557 IME_100958 143.zip
49 IMR_101558 IME_100959 144.zip
50 IMR_101559 IME_100960 145.zip
51 IMR_101560 IME_100961 146.zip
52 IMR_101561 IME_100962 147.zip
53 IMR_101562 IME_100963 148.zip
54 IMR_101563 IME_100964 149.zip
55 IMR_101564 IME_100965 150.zip
56 IMR_101565 IME_100966 151.zip
57 IMR_101566 IME_100967 152.zip
58 IMR_101567 IME_100968 153.zip
59 IMR_101568 IME_100969 154.zip
60 IMR_101569 IME_100970 158.zip
61 IMR_101570 IME_100971 159.zip
62 IMR_101571 IME_100972 16.zip
63 IMR_101572 IME_100973 160.zip
64 IMR_101573 IME_100974 161.zip
65 IMR_101574 IME_100975 162.zip
66 IMR_101575 IME_100976 163.zip
67 IMR_101576 IME_100977 164.zip
68 IMR_101577 IME_100978 165.zip
69 IMR_101578 IME_100979 166.zip
70 IMR_101579 IME_100980 17.zip
71 IMR_101580 IME_100981 173.zip
72 IMR_101581 IME_100982 174.zip
73 IMR_101582 IME_100983 175.zip
74 IMR_101583 IME_100984 176.zip
75 IMR_101584 IME_100985 177.zip
76 IMR_101585 IME_100986 178.zip
77 IMR_101586 IME_100987 179.zip
78 IMR_101587 IME_100988 18.zip
79 IMR_101588 IME_100989 180.zip
80 IMR_101589 IME_100990 181.zip
81 IMR_101590 IME_100991 182.zip
82 IMR_101591 IME_100992 183.zip
83 IMR_101592 IME_100993 184.zip
84 IMR_101593 IME_100994 185.zip
85 IMR_101594 IME_100995 186.zip
86 IMR_101595 IME_100996 187.zip
87 IMR_101596 IME_100997 188.zip
88 IMR_101597 IME_100998 189.zip
89 IMR_101598 IME_100999 19.zip
90 IMR_101599 IME_101000 190.zip
91 IMR_101600 IME_101001 191.zip
92 IMR_101601 IME_101002 192.zip
93 IMR_101602 IME_101003 193.zip
94 IMR_101603 IME_101004 2.zip
95 IMR_101604 IME_101005 20.zip
96 IMR_101605 IME_101006 21.zip
97 IMR_101606 IME_101007 22.zip
98 IMR_101607 IME_101008 23.zip
99 IMR_101608 IME_101009 24.zip
100 IMR_101609 IME_101010 25.zip
101 IMR_101610 IME_101011 26.zip
102 IMR_101611 IME_101012 27.zip
103 IMR_101612 IME_101013 28.zip
104 IMR_101613 IME_101014 29.zip
105 IMR_101614 IME_101015 3.zip
106 IMR_101615 IME_101016 30.zip
107 IMR_101616 IME_101017 31.zip
108 IMR_101617 IME_101018 32.zip
109 IMR_101618 IME_101019 33.zip
110 IMR_101619 IME_101020 34.zip
111 IMR_101620 IME_101021 35.zip
112 IMR_101621 IME_101022 36.zip
113 IMR_101622 IME_101023 37.zip
114 IMR_101623 IME_101024 38.zip
115 IMR_101624 IME_101025 39.zip
116 IMR_101625 IME_101026 4.zip
117 IMR_101626 IME_101027 40.zip
118 IMR_101627 IME_101028 41.zip
119 IMR_101628 IME_101029 42.zip
120 IMR_101629 IME_101030 43.zip
121 IMR_101630 IME_101031 44.zip
122 IMR_101631 IME_101032 45.zip
123 IMR_101632 IME_101033 46.zip
124 IMR_101633 IME_101034 47.zip
125 IMR_101634 IME_101035 48.zip
126 IMR_101635 IME_101036 49.zip
127 IMR_101636 IME_101037 5.zip
128 IMR_101637 IME_101038 50.zip
129 IMR_101638 IME_101039 51.zip
130 IMR_101639 IME_101040 52.zip
131 IMR_101640 IME_101041 53.zip
132 IMR_101641 IME_101042 54.zip
133 IMR_101642 IME_101043 55.zip
134 IMR_101643 IME_101044 56.zip
135 IMR_101644 IME_101045 57.zip
136 IMR_101645 IME_101046 58.zip
137 IMR_101646 IME_101047 59.zip
138 IMR_101647 IME_101048 6.zip
139 IMR_101648 IME_101049 60.zip
140 IMR_101649 IME_101050 61.zip
141 IMR_101650 IME_101051 62.zip
142 IMR_101651 IME_101052 63.zip
143 IMR_101652 IME_101053 64.zip
144 IMR_101653 IME_101054 65.zip
145 IMR_101654 IME_101055 66.zip
146 IMR_101655 IME_101056 67.zip
147 IMR_101656 IME_101057 68.zip
148 IMR_101657 IME_101058 69.zip
149 IMR_101658 IME_101059 7.zip
150 IMR_101659 IME_101060 70.zip
151 IMR_101660 IME_101061 71.zip
152 IMR_101661 IME_101062 72.zip
153 IMR_101662 IME_101063 73.zip
154 IMR_101663 IME_101064 74.zip
155 IMR_101664 IME_101065 75.zip
156 IMR_101665 IME_101066 76.zip
157 IMR_101666 IME_101067 77.zip
158 IMR_101667 IME_101068 78.zip
159 IMR_101668 IME_101069 79.zip
160 IMR_101669 IME_101070 8.zip
161 IMR_101670 IME_101071 80.zip
162 IMR_101671 IME_101072 81.zip
163 IMR_101672 IME_101073 82.zip
164 IMR_101673 IME_101074 83.zip
165 IMR_101674 IME_101075 84.zip
166 IMR_101675 IME_101076 85.zip
167 IMR_101676 IME_101077 87.zip
168 IMR_101677 IME_101078 88.zip
169 IMR_101678 IME_101079 89.zip
170 IMR_101679 IME_101080 9.zip
171 IMR_101680 IME_101081 90.zip
172 IMR_101681 IME_101082 91.zip
173 IMR_101682 IME_101083 92.zip
174 IMR_101683 IME_101084 93.zip
175 IMR_101684 IME_101085 94.zip
176 IMR_101685 IME_101086 95.zip
177 IMR_101686 IME_101087 96.zip
178 IMR_101687 IME_101088 97.zip
179 IMR_101688 IME_101089 98.zip
180 IMR_101689 IME_101090 99.zip
181 IMR_101690 IME_101091 10C.zip
182 IMR_101691 IME_101092 11C.zip
183 IMR_101692 IME_101093 12C.zip
184 IMR_101693 IME_101094 13C.zip
185 IMR_101694 IME_101095 14C.zip
186 IMR_101695 IME_101096 15C.zip
187 IMR_101696 IME_101097 16C.zip
188 IMR_101697 IME_101098 17C.zip
189 IMR_101698 IME_101099 18C.zip
190 IMR_101699 IME_101100 19C.zip
191 IMR_101700 IME_101101 20C.zip
192 IMR_101701 IME_101102 22C.zip
193 IMR_101702 IME_101103 23C.zip
194 IMR_101703 IME_101104 24C.zip
195 IMR_101704 IME_101105 25C.zip
196 IMR_101705 IME_101106 26C.zip
197 IMR_101706 IME_101107 27C.zip
198 IMR_101707 IME_101108 28C.zip
199 IMR_101708 IME_101109 29C.zip
200 IMR_101709 IME_101110 47C.zip
201 IMR_101710 IME_101111 48C.zip
202 IMR_101711 IME_101112 5C.zip
203 IMR_101712 IME_101113 6C.zip
204 IMR_101713 IME_101114 7C.zip
205 IMR_101714 IME_101115 9C.zip
206 IMR_101715 IME_101116 C1.zip
207 IMR_101716 IME_101117 C2.zip
208 IMR_101717 IME_101118 C3.zip
209 IMR_101718 IME_101119 C4.zip
210 IMR_101719 IME_101120 C8.zip