MS Study

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

Study uploaded by: Lovnish
Study ID: IMS_100054
Title: Untargeted Metabolomics Dataset of Klebsiella pneumoniae Bloodstream Clinical Isolates Grown in Mueller Hinton Broth (MHB) and Human Plasma for 0, 0.5, 1 and 2 Hours
Summary: This study presents an untargeted metabolomics dataset of a bloodstream clinical isolates of Klebsiella pneumoniae grown in Mueller Hinton Broth (MHB) and human plasma for 0, 0.5, 1 and 2 hours to capture rapid metabolic adaptations during host-like exposure. The dataset enables comparative analysis of bacterial metabolic reprogramming between nutrient-rich laboratory media (i.e. MHB) and in-vivo physiologically relevant conditions (i.e. bloodstream infections), highlighting pathways involved in stress response and cell-membrane, energy metabolism, and virulence-associated processes remodeling. The data can be used to identify potential metabolic biomarkers, uncover targets for antimicrobial resistance development, support systems biology modeling, and validate hypotheses related to host–pathogen interactions. Additionally, this resource is valuable for integrating with transcriptomic or proteomic data, benchmarking metabolomics workflows, and advancing research on bloodstream infections caused by Klebsiella pneumoniae.
Publication:
Release Date: April 10, 2026
Study Type: Mass Spectrometry (MS)
Data Type: Untargeted
IEC/IBSC Approval Number :

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 Email 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