Study Data
| Project uploaded by: | Lovnish |
| Project ID: | IMP_100057 |
| Title: | Untargeted Metabolomics Dataset of Klebsiella pneumoniae ATCC ® 33495™ & Bloodstream Clinical Isolates Grown in Luria Bertani Broth, Mueller Hinton Broth, Human Plasma, and Artificial Urine for 0, 0.5 1, and 2 Hours |
| Project Description: | This study presents a comprehensive untargeted metabolomics dataset of Klebsiella pneumoniae encompassing both a reference ATCC strain 33495™ and a bloodstream-derived clinical isolate cultured under laboratory- and host-mimicking conditions. The ATCC strain and clinical isolate was grown in Luria Bertani (LB) broth, Mueller Hinton Broth (MHB), human plasma, and artificial urine with samples collected at early time points (0, 0.5, 1, and 2 hours) to capture rapid metabolic dynamics. This dataset enables systematic comparison of strain-specific and environment-dependent metabolic adaptations, providing insights into bacterial survival strategies, nutrient utilization, and stress responses across physiologically relevant niches. It can be utilized to identify potential metabolic biomarkers, explore mechanisms of virulence and host adaptation, support integrative multi-omics analyses, emergence/spread of AMR, and aid in the discovery of novel antimicrobial targets. Additionally, the dataset serves as a valuable resource for benchmarking metabolomics workflows and advancing research on Klebsiella pneumoniae pathophysiology in bloodstream and urinary tract-associated environments. |
| Research Area: | Biological Sciences |
| Funding Source: | DBT (BT/PR52308/BMS2/156/3/2024) |
| Project Contributors: | Lovnish Thakur and Niraj Kumar |
| 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_103959 | C0M1_5 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 0 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 2 | IMSM_104088 | C0M2_37 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 0 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 3 | IMSM_104089 | C0M3_69 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 0 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 4 | IMSM_104090 | C0M4_101 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 0 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 5 | IMSM_104091 | C30M1_6 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 0.5 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 6 | IMSM_104092 | C30M2_38 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 0.5 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 7 | IMSM_104093 | C30M3_70 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 0.5 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 8 | IMSM_104094 | C30M4_102 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 0.5 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 9 | IMSM_104095 | C60M1_7 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 1 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 10 | IMSM_104096 | C60M2_39 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 1 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 11 | IMSM_104097 | C60M3_71 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 1 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 12 | IMSM_104098 | C60M4_103 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 1 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 13 | IMSM_104099 | C120M1_8 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 2 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 14 | IMSM_104100 | C120M2_40 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 2 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 15 | IMSM_104101 | C120M3_72 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 2 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 16 | IMSM_104102 | C120M4_104 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Mueller Hinton Broth Medium | 2 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 17 | IMSM_104103 | C0P1_9 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 0 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 18 | IMSM_104104 | C0P2_41 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 0 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 19 | IMSM_104105 | C0P3_73 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 0 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 20 | IMSM_104106 | C0P4_105 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 0 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 21 | IMSM_104107 | C30P1_10 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 0.5 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 22 | IMSM_104108 | C30P2_42 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 0.5 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 23 | IMSM_104109 | C30P3_74 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 0.5 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 24 | IMSM_104110 | C30P4_106 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 0.5 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 25 | IMSM_104111 | C60P1_11 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 1 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 26 | IMSM_104112 | C60P2_43 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 1 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 27 | IMSM_104113 | C60P3_75 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 1 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 28 | IMSM_104114 | C60P4_107 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 1 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 29 | IMSM_104115 | C120P1_12 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 2 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 30 | IMSM_104116 | C120P2_44 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 2 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 31 | IMSM_104117 | C120P3_76 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 2 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| 32 | IMSM_104118 | C120P4_108 | Klebsiella pneumoniae subsp. pneumoniae | Bacteria | Pure colonies of the bloodstream clinical isolates of K. pneumoniae were obtained by streaking and incubating agar plates overnight at 37 °C. A single colony was then used to inoculate an overnight culture in Mueller–Hinton Broth (MHB) culture at 37 °C with shaking at 220 rpm. Fresh cultures were subsequently inoculated (1:500, v/v) into fresh MHB and grown until reaching the mid-exponential phase of growth (OD₆₀₀ ≈ 0.4–0.6). Approximately 5 × 10⁸ exponentially growing K. pneumoniae cells were collected by centrifugation at 6,000 rpm, resuspended in 1 mL of either human plasma (h-plasma) or MHB, incubated at 37 °C for 0, 0.5, 1, and 2 hrs., collected at each time point by centrifugation at 10,000 rpm, washed with PBS and subjected to metabolite extraction (using Freeze thaw extraction method) following the addition of chilled methanol. | Klebsiella pneumonaie bloodstream clinical isolate | Human plasma Medium | 2 h | NA | NA | NA | 1 | -20C |
Freeze–thaw metabolite extraction + LC–MS/MS (C18 & HILIC) |
4 |
| Sr.No | MS Exp ID | Sample Name/ID | Mass Spectrometer Type | MS Instrument Name | MS Instrument type | MS Ionization Method | Ion Mode/Scan Polarity | Data Transformation (Software/s Used) |
|---|---|---|---|---|---|---|---|---|
| 1 | IME_102068 | C0M1_5 / IMSM_103959 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 2 | IME_102069 | C0M1_5 / IMSM_103959 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 3 | IME_102070 | C0M1_5 / IMSM_103959 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 4 | IME_102071 | C0M1_5 / IMSM_103959 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 5 | IME_102072 | C0M2_37 / IMSM_104088 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 6 | IME_102073 | C0M2_37 / IMSM_104088 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 7 | IME_102074 | C0M2_37 / IMSM_104088 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 8 | IME_102075 | C0M2_37 / IMSM_104088 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 9 | IME_102076 | C0M3_69 / IMSM_104089 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 10 | IME_102077 | C0M3_69 / IMSM_104089 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 11 | IME_102078 | C0M3_69 / IMSM_104089 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 12 | IME_102079 | C0M3_69 / IMSM_104089 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 13 | IME_102080 | C0M4_101 / IMSM_104090 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 14 | IME_102081 | C0M4_101 / IMSM_104090 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 15 | IME_102082 | C0M4_101 / IMSM_104090 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 16 | IME_102083 | C0M4_101 / IMSM_104090 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 17 | IME_102084 | C30M1_6 / IMSM_104091 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 18 | IME_102085 | C30M1_6 / IMSM_104091 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 19 | IME_102086 | C30M1_6 / IMSM_104091 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 20 | IME_102087 | C30M1_6 / IMSM_104091 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 21 | IME_102088 | C30M2_38 / IMSM_104092 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 22 | IME_102089 | C30M2_38 / IMSM_104092 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 23 | IME_102090 | C30M2_38 / IMSM_104092 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 24 | IME_102091 | C30M2_38 / IMSM_104092 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 25 | IME_102092 | C30M3_70 / IMSM_104093 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 26 | IME_102093 | C30M3_70 / IMSM_104093 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 27 | IME_102094 | C30M3_70 / IMSM_104093 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 28 | IME_102095 | C30M3_70 / IMSM_104093 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 29 | IME_102096 | C30M4_102 / IMSM_104094 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 30 | IME_102097 | C30M4_102 / IMSM_104094 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 31 | IME_102098 | C30M4_102 / IMSM_104094 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 32 | IME_102099 | C30M4_102 / IMSM_104094 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 33 | IME_102100 | C60M1_7 / IMSM_104095 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 34 | IME_102101 | C60M1_7 / IMSM_104095 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 35 | IME_102102 | C60M1_7 / IMSM_104095 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 36 | IME_102103 | C60M1_7 / IMSM_104095 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 37 | IME_102104 | C60M2_39 / IMSM_104096 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 38 | IME_102105 | C60M2_39 / IMSM_104096 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 39 | IME_102106 | C60M2_39 / IMSM_104096 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 40 | IME_102107 | C60M2_39 / IMSM_104096 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 41 | IME_102108 | C60M3_71 / IMSM_104097 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 42 | IME_102109 | C60M3_71 / IMSM_104097 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 43 | IME_102110 | C60M3_71 / IMSM_104097 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 44 | IME_102111 | C60M3_71 / IMSM_104097 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 45 | IME_102112 | C60M4_103 / IMSM_104098 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 46 | IME_102113 | C60M4_103 / IMSM_104098 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 47 | IME_102114 | C60M4_103 / IMSM_104098 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 48 | IME_102115 | C60M4_103 / IMSM_104098 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 49 | IME_102116 | C120M1_8 / IMSM_104099 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 50 | IME_102117 | C120M1_8 / IMSM_104099 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 51 | IME_102118 | C120M1_8 / IMSM_104099 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 52 | IME_102119 | C120M1_8 / IMSM_104099 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 53 | IME_102120 | C120M2_40 / IMSM_104100 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 54 | IME_102121 | C120M2_40 / IMSM_104100 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 55 | IME_102122 | C120M2_40 / IMSM_104100 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 56 | IME_102123 | C120M2_40 / IMSM_104100 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 57 | IME_102124 | C120M3_72 / IMSM_104101 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 58 | IME_102125 | C120M3_72 / IMSM_104101 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 59 | IME_102126 | C120M3_72 / IMSM_104101 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 60 | IME_102127 | C120M3_72 / IMSM_104101 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 61 | IME_102128 | C120M4_104 / IMSM_104102 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 62 | IME_102129 | C120M4_104 / IMSM_104102 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 63 | IME_102130 | C120M4_104 / IMSM_104102 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 64 | IME_102131 | C120M4_104 / IMSM_104102 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 65 | IME_102132 | C0P1_9 / IMSM_104103 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 66 | IME_102133 | C0P1_9 / IMSM_104103 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 67 | IME_102134 | C0P1_9 / IMSM_104103 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 68 | IME_102135 | C0P1_9 / IMSM_104103 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 69 | IME_102136 | C0P2_41 / IMSM_104104 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 70 | IME_102137 | C0P2_41 / IMSM_104104 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 71 | IME_102138 | C0P2_41 / IMSM_104104 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 72 | IME_102139 | C0P2_41 / IMSM_104104 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 73 | IME_102140 | C0P3_73 / IMSM_104105 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 74 | IME_102141 | C0P3_73 / IMSM_104105 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 75 | IME_102142 | C0P3_73 / IMSM_104105 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 76 | IME_102143 | C0P3_73 / IMSM_104105 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 77 | IME_102144 | C0P4_105 / IMSM_104106 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 78 | IME_102145 | C0P4_105 / IMSM_104106 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 79 | IME_102146 | C0P4_105 / IMSM_104106 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 80 | IME_102147 | C0P4_105 / IMSM_104106 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 81 | IME_102148 | C30P1_10 / IMSM_104107 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 82 | IME_102149 | C30P1_10 / IMSM_104107 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 83 | IME_102150 | C30P1_10 / IMSM_104107 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 84 | IME_102151 | C30P1_10 / IMSM_104107 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 85 | IME_102152 | C30P2_42 / IMSM_104108 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 86 | IME_102153 | C30P2_42 / IMSM_104108 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 87 | IME_102154 | C30P2_42 / IMSM_104108 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 88 | IME_102155 | C30P2_42 / IMSM_104108 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 89 | IME_102156 | C30P3_74 / IMSM_104109 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 90 | IME_102157 | C30P3_74 / IMSM_104109 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 91 | IME_102158 | C30P3_74 / IMSM_104109 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 92 | IME_102159 | C30P3_74 / IMSM_104109 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 93 | IME_102160 | C30P4_106 / IMSM_104110 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 94 | IME_102161 | C30P4_106 / IMSM_104110 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 95 | IME_102162 | C30P4_106 / IMSM_104110 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 96 | IME_102163 | C30P4_106 / IMSM_104110 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 97 | IME_102164 | C60P1_11 / IMSM_104111 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 98 | IME_102165 | C60P1_11 / IMSM_104111 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 99 | IME_102166 | C60P1_11 / IMSM_104111 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 100 | IME_102167 | C60P1_11 / IMSM_104111 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 101 | IME_102168 | C60P2_43 / IMSM_104112 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 102 | IME_102169 | C60P2_43 / IMSM_104112 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 103 | IME_102170 | C60P2_43 / IMSM_104112 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 104 | IME_102171 | C60P2_43 / IMSM_104112 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 105 | IME_102172 | C60P3_75 / IMSM_104113 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 106 | IME_102173 | C60P3_75 / IMSM_104113 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 107 | IME_102174 | C60P3_75 / IMSM_104113 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 108 | IME_102175 | C60P3_75 / IMSM_104113 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 109 | IME_102176 | C60P4_107 / IMSM_104114 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 110 | IME_102177 | C60P4_107 / IMSM_104114 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 111 | IME_102178 | C60P4_107 / IMSM_104114 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 112 | IME_102179 | C60P4_107 / IMSM_104114 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 113 | IME_102180 | C120P1_12 / IMSM_104115 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 114 | IME_102181 | C120P1_12 / IMSM_104115 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 115 | IME_102182 | C120P1_12 / IMSM_104115 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 116 | IME_102183 | C120P1_12 / IMSM_104115 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 117 | IME_102184 | C120P2_44 / IMSM_104116 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 118 | IME_102185 | C120P2_44 / IMSM_104116 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 119 | IME_102186 | C120P2_44 / IMSM_104116 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 120 | IME_102187 | C120P2_44 / IMSM_104116 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 121 | IME_102188 | C120P3_76 / IMSM_104117 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 122 | IME_102189 | C120P3_76 / IMSM_104117 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 123 | IME_102190 | C120P3_76 / IMSM_104117 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 124 | IME_102191 | C120P3_76 / IMSM_104117 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 125 | IME_102192 | C120P4_108 / IMSM_104118 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 126 | IME_102193 | C120P4_108 / IMSM_104118 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| 127 | IME_102194 | C120P4_108 / IMSM_104118 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Positive | NA |
| 128 | IME_102195 | C120P4_108 / IMSM_104118 | LCMS (Liquid Chromatography- Mass Spectrometry) | Thermo Fisher Scientific Orbitrap Fusion ETD | Orbitrap | Electrospray Ionization - ESI | Negative | NA |
| Sr.No | First name | Last name | Organization | Designation | |
|---|---|---|---|---|---|
| 1 | Niraj | Kumar | nkumar@thsti.res.in | Translational Health Science and Technology Institute | principal_investigator |
| 2 | Lovnish | Thakur | lovnish.thakur@thsti.res.in | Translational Health Science and Technology Institute | research_scholar |
| Sr.No | ftprun ID | MS Exp ID | MS Data Files |
|---|---|---|---|
| 1 | IMR_102672 | IME_102068 | HILIC_POS_C0M1_5.raw |
| 2 | IMR_102673 | IME_102069 | HILIC_NEG_C0M1_5.raw |
| 3 | IMR_102674 | IME_102070 | C18_POS_C0M1_5.raw |
| 4 | IMR_102675 | IME_102071 | C18_NEG_C0M1_5.raw |
| 5 | IMR_102676 | IME_102072 | HILIC_POS_C0M2_37.raw |
| 6 | IMR_102677 | IME_102073 | HILIC_NEG_C0M2_37.raw |
| 7 | IMR_102678 | IME_102074 | C18_POS_C0M2_37.raw |
| 8 | IMR_102679 | IME_102075 | C18_NEG_C0M2_37.raw |
| 9 | IMR_102680 | IME_102076 | HILIC_POS_C0M3_69.raw |
| 10 | IMR_102681 | IME_102077 | HILIC_NEG_C0M3_69.raw |
| 11 | IMR_102682 | IME_102078 | C18_POS_C0M3_69.raw |
| 12 | IMR_102683 | IME_102079 | C18_NEG_C0M3_69.raw |
| 13 | IMR_102684 | IME_102080 | HILIC_POS_C0M4_101.raw |
| 14 | IMR_102685 | IME_102081 | HILIC_NEG_C0M4_101.raw |
| 15 | IMR_102686 | IME_102082 | C18_POS_C0M4_101.raw |
| 16 | IMR_102687 | IME_102083 | C18_NEG_C0M4_101.raw |
| 17 | IMR_102688 | IME_102084 | HILIC_POS_C30M1_6.raw |
| 18 | IMR_102689 | IME_102085 | HILIC_NEG_C30M1_6.raw |
| 19 | IMR_102690 | IME_102086 | C18_POS_C30M1_6.raw |
| 20 | IMR_102691 | IME_102087 | C18_NEG_C30M1_6.raw |
| 21 | IMR_102692 | IME_102088 | HILIC_POS_C30M2_38.raw |
| 22 | IMR_102693 | IME_102089 | HILIC_NEG_C30M2_38.raw |
| 23 | IMR_102694 | IME_102090 | C18_POS_C30M2_38.raw |
| 24 | IMR_102695 | IME_102091 | C18_NEG_C30M2_38.raw |
| 25 | IMR_102696 | IME_102092 | HILIC_POS_C30M3_70.raw |
| 26 | IMR_102697 | IME_102093 | HILIC_NEG_C30M3_70.raw |
| 27 | IMR_102698 | IME_102094 | C18_POS_C30M3_70.raw |
| 28 | IMR_102699 | IME_102095 | C18_NEG_C30M3_70.raw |
| 29 | IMR_102700 | IME_102096 | HILIC_POS_C30M4_102.raw |
| 30 | IMR_102701 | IME_102097 | HILIC_NEG_C30M4_102.raw |
| 31 | IMR_102702 | IME_102098 | C18_POS_C30M4_102.raw |
| 32 | IMR_102703 | IME_102099 | C18_NEG_C30M4_102.raw |
| 33 | IMR_102704 | IME_102100 | HILIC_POS_C60M1_7.raw |
| 34 | IMR_102705 | IME_102101 | HILIC_NEG_C60M1_7.raw |
| 35 | IMR_102706 | IME_102102 | C18_POS_C60M1_7.raw |
| 36 | IMR_102707 | IME_102103 | C18_NEG_C60M1_7.raw |
| 37 | IMR_102708 | IME_102104 | HILIC_POS_C60M2_39.raw |
| 38 | IMR_102709 | IME_102105 | HILIC_NEG_C60M2_39.raw |
| 39 | IMR_102710 | IME_102106 | C18_POS_C60M2_39.raw |
| 40 | IMR_102711 | IME_102107 | C18_NEG_C60M2_39.raw |
| 41 | IMR_102712 | IME_102108 | HILIC_POS_C60M3_71.raw |
| 42 | IMR_102713 | IME_102109 | HILIC_NEG_C60M3_71.raw |
| 43 | IMR_102714 | IME_102110 | C18_POS_C60M3_71.raw |
| 44 | IMR_102715 | IME_102111 | C18_NEG_C60M3_71.raw |
| 45 | IMR_102716 | IME_102112 | HILIC_POS_C60M4_103.raw |
| 46 | IMR_102717 | IME_102113 | HILIC_NEG_C60M4_103.raw |
| 47 | IMR_102718 | IME_102114 | C18_POS_C60M4_103.raw |
| 48 | IMR_102719 | IME_102115 | C18_NEG_C60M4_103.raw |
| 49 | IMR_102720 | IME_102116 | HILIC_POS_C120M1_8.raw |
| 50 | IMR_102721 | IME_102117 | HILIC_NEG_C120M1_8.raw |
| 51 | IMR_102722 | IME_102118 | C18_POS_C120M1_8.raw |
| 52 | IMR_102723 | IME_102119 | C18_NEG_C120M1_8.raw |
| 53 | IMR_102724 | IME_102120 | HILIC_POS_C120M2_40.raw |
| 54 | IMR_102725 | IME_102121 | HILIC_NEG_C120M2_40.raw |
| 55 | IMR_102726 | IME_102122 | C18_POS_C120M2_40.raw |
| 56 | IMR_102727 | IME_102123 | C18_NEG_C120M2_40.raw |
| 57 | IMR_102728 | IME_102124 | HILIC_POS_C120M3_72.raw |
| 58 | IMR_102729 | IME_102125 | HILIC_NEG_C120M3_72.raw |
| 59 | IMR_102730 | IME_102126 | C18_POS_C120M3_72.raw |
| 60 | IMR_102731 | IME_102127 | C18_NEG_C120M3_72.raw |
| 61 | IMR_102732 | IME_102128 | HILIC_POS_C120M4_104.raw |
| 62 | IMR_102733 | IME_102129 | HILIC_NEG_C120M4_104.raw |
| 63 | IMR_102734 | IME_102130 | C18_POS_C120M4_104.raw |
| 64 | IMR_102735 | IME_102131 | C18_NEG_C120M4_104.raw |
| 65 | IMR_102736 | IME_102132 | HILIC_POS_C0P1_9.raw |
| 66 | IMR_102737 | IME_102133 | HILIC_NEG_C0P1_9.raw |
| 67 | IMR_102738 | IME_102134 | C18_POS_C0P1_9.raw |
| 68 | IMR_102739 | IME_102135 | C18_NEG_C0P1_9.raw |
| 69 | IMR_102740 | IME_102136 | HILIC_POS_C0P2_41.raw |
| 70 | IMR_102741 | IME_102137 | HILIC_NEG_C0P2_41.raw |
| 71 | IMR_102742 | IME_102138 | C18_POS_C0P2_41.raw |
| 72 | IMR_102743 | IME_102139 | C18_NEG_C0P2_41.raw |
| 73 | IMR_102744 | IME_102140 | HILIC_POS_C0P3_73.raw |
| 74 | IMR_102745 | IME_102141 | HILIC_NEG_C0P3_73.raw |
| 75 | IMR_102746 | IME_102142 | C18_POS_C0P3_73.raw |
| 76 | IMR_102747 | IME_102143 | C18_NEG_C0P3_73.raw |
| 77 | IMR_102748 | IME_102144 | HILIC_POS_C0P4_105.raw |
| 78 | IMR_102749 | IME_102145 | HILIC_NEG_C0P4_105.raw |
| 79 | IMR_102750 | IME_102146 | C18_POS_C0P4_105.raw |
| 80 | IMR_102751 | IME_102147 | C18_NEG_C0P4_105.raw |
| 81 | IMR_102752 | IME_102148 | HILIC_POS_C30P1_10.raw |
| 82 | IMR_102753 | IME_102149 | HILIC_NEG_C30P1_10.raw |
| 83 | IMR_102754 | IME_102150 | C18_POS_C30P1_10.raw |
| 84 | IMR_102755 | IME_102151 | C18_NEG_C30P1_10.raw |
| 85 | IMR_102756 | IME_102152 | HILIC_POS_C30P2_42.raw |
| 86 | IMR_102757 | IME_102153 | HILIC_NEG_C30P2_42.raw |
| 87 | IMR_102758 | IME_102154 | C18_POS_C30P2_42.raw |
| 88 | IMR_102759 | IME_102155 | C18_NEG_C30P2_42.raw |
| 89 | IMR_102760 | IME_102156 | HILIC_POS_C30P3_74.raw |
| 90 | IMR_102761 | IME_102157 | HILIC_NEG_C30P3_74.raw |
| 91 | IMR_102762 | IME_102158 | C18_POS_C30P3_74.raw |
| 92 | IMR_102763 | IME_102159 | C18_NEG_C30P3_74.raw |
| 93 | IMR_102764 | IME_102160 | HILIC_POS_C30P4_106.raw |
| 94 | IMR_102765 | IME_102161 | HILIC_NEG_C30P4_106.raw |
| 95 | IMR_102766 | IME_102162 | C18_POS_C30P4_106.raw |
| 96 | IMR_102767 | IME_102163 | C18_NEG_C30P4_106.raw |
| 97 | IMR_102768 | IME_102164 | HILIC_POS_C60P1_11.raw |
| 98 | IMR_102769 | IME_102165 | HILIC_NEG_C60P1_11.raw |
| 99 | IMR_102770 | IME_102166 | C18_POS_C60P1_11.raw |
| 100 | IMR_102771 | IME_102167 | C18_NEG_C60P1_11.raw |
| 101 | IMR_102772 | IME_102168 | HILIC_POS_C60P2_43.raw |
| 102 | IMR_102773 | IME_102169 | HILIC_NEG_C60P2_43.raw |
| 103 | IMR_102774 | IME_102170 | C18_POS_C60P2_43.raw |
| 104 | IMR_102775 | IME_102171 | C18_NEG_C60P2_43.raw |
| 105 | IMR_102776 | IME_102172 | HILIC_POS_C60P3_75.raw |
| 106 | IMR_102777 | IME_102173 | HILIC_NEG_C60P3_75.raw |
| 107 | IMR_102778 | IME_102174 | C18_POS_C60P3_75.raw |
| 108 | IMR_102779 | IME_102175 | C18_NEG_C60P3_75.raw |
| 109 | IMR_102780 | IME_102176 | HILIC_POS_C60P4_107.raw |
| 110 | IMR_102781 | IME_102177 | HILIC_NEG_C60P4_107.raw |
| 111 | IMR_102782 | IME_102178 | C18_POS_C60P4_107.raw |
| 112 | IMR_102783 | IME_102179 | C18_NEG_C60P4_107.raw |
| 113 | IMR_102784 | IME_102180 | HILIC_POS_C120P1_12.raw |
| 114 | IMR_102785 | IME_102181 | HILIC_NEG_C120P1_12.raw |
| 115 | IMR_102786 | IME_102182 | C18_POS_C120P1_12.raw |
| 116 | IMR_102787 | IME_102183 | C18_NEG_C120P1_12.raw |
| 117 | IMR_102788 | IME_102184 | HILIC_POS_C120P2_44.raw |
| 118 | IMR_102789 | IME_102185 | HILIC_NEG_C120P2_44.raw |
| 119 | IMR_102790 | IME_102186 | C18_POS_C120P2_44.raw |
| 120 | IMR_102791 | IME_102187 | C18_NEG_C120P2_44.raw |
| 121 | IMR_102792 | IME_102188 | HILIC_POS_C120P3_76.raw |
| 122 | IMR_102793 | IME_102189 | HILIC_NEG_C120P3_76.raw |
| 123 | IMR_102794 | IME_102190 | C18_POS_C120P3_76.raw |
| 124 | IMR_102795 | IME_102191 | C18_NEG_C120P3_76.raw |
| 125 | IMR_102796 | IME_102192 | HILIC_POS_C120P4_108.raw |
| 126 | IMR_102797 | IME_102193 | HILIC_NEG_C120P4_108.raw |
| 127 | IMR_102798 | IME_102194 | C18_POS_C120P4_108.raw |
| 128 | IMR_102799 | IME_102195 | C18_NEG_C120P4_108.raw |
Download Metabolite/Compound
| Sr.No | Structure | Details |
|---|