MetaboLights

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ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14858/m_MTBLS14858_LC-MS_alternating_hilic_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14858/m_MTBLS14858_LC-MS_alternating_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14858/a_MTBLS14858_LC-MS_alternating_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14858/a_MTBLS14858_LC-MS_alternating_hilic.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14858/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14858/s_MTBLS14858.txtprimary200OKftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14858Target metabolites were identified and quantified using a UHPLC-MRM-MS/MS-based targeted metabolomics method. Identification was based on reference standards, retention time, characteristic MRM transitions, mass spectrometric response, and internal standard calibration. A total of 146 energy metabolism-related target metabolites were analyzed, including glycine, alanine, choline, gamma-aminobutyric acid, cytosine, creatinine, proline, betaine, valine, threonine, and others. Extracted ion chromatograms of standard solutions and samples showed symmetrical chromatographic peaks, good chromatographic separation, and no obvious differences in retention time or peak shape between standards and biological samples.MetaboLightsPublicLiquid Chromatography MS - alternating - hilicLiquid Chromatography MS - alternating - reverse-phaseChromatographic separation was performed using an Agilent 1290 Infinity II UHPLC system. For the RP system, an ACQUITY UPLC BEH C18 column (1.7 μm, 2.1 mm × 150 mm) was used. Mobile phase A was ultrapure water containing 0.1% formic acid, and mobile phase B was methanol/water (95:5, v/v) containing 10 mmol/L ammonium formate. For the HILIC system, an Atlantis Premier BEH Z-HILIC column (1.7 μm, 2.1 mm × 150 mm) was used. Mobile phase A was water/acetonitrile (90:10, v/v) containing 10 mmol/L ammonium acetate, and mobile phase B was water/acetonitrile (10:90, v/v) containing 10 mmol/L ammonium acetate. The autosampler temperature was set at 6°C, and the injection volume was 2 μL.Whole genome sequencing and targeted metabolomics of multidrug-resistant Klebsiella pneumoniae KP21-10C.Peking UniversityDuo KeaiBacterial cellmass spectrometry assayApproximately 25 mg of bacterial cell sample was weighed into a 2.0 mL EP tube. Two steel beads and 500 μL of extraction solution containing internal standards were added. The extraction solution consisted of methanol and water at a ratio of 4:1 (v/v). The mixture was vortexed for 30 s, homogenized at 40 Hz for 4 min, and sonicated in an ice-water bath for 5 min. The homogenization and sonication steps were repeated three times. The samples were then incubated at -40°C for 1 h, followed by centrifugation at 12,000 rpm and 4°C for 15 min. The supernatant was transferred to an autosampler vial for instrumental analysis. Standard stock solutions were prepared at 10 mmol/L, mixed, and serially diluted to generate calibration solutions containing isotope-labeled internal standards at the same concentration as in the samples.Klebsiella pneumoniaehttps://www.ebi.ac.uk/metabolights/MTBLS14858Junchen Yu. Northeast Agricultural University. amber10800@gmail.com.Yanhua Li. Northeast Agricultural University. liyanhua@neau.edu.cn.Raw LC-MS/MS data were processed using SCIEX Analyst Work Station Software 1.7.3 and automated analysis software. Quantification was performed using an internal standard method and calibration curves. In the calibration curve, the y-axis represents the peak area ratio of the target metabolite to its corresponding internal standard, while the x-axis represents the concentration of the target metabolite in nmol/L. The metabolite content in samples was calculated based on the calculated concentration, extraction volume, sample mass, and concentration factor, and was reported in nmol/g. A value of “0” indicates that the target compound was not detected in the sample.Groupkeaiduoduo998@126.comA total of 6 bacterial cell samples were received from the client and all 6 samples were analyzed. The samples were divided into two groups, DC and D, with 3 samples in each group. Upon receipt, the samples were immediately stored in a -80°C freezer until analysis. The report does not specify the exact sampling time points or collection dates.MetabolomicsMetabolomicsBacterial celltargeted analysistargeted metabolomicsmultidrug-resistant bacteriaTriple Quad 6500+cepharanthine hydrochloridedoxycyclineLC-MS/MSAB SCIEX Triple Quad 6500+Agilent 1290 Infinity II UHPLCenergy metabolismKlebsiella pneumoniaeMetabolomicsBacterial celltargeted analysismultidrug-resistant bacteriatargeted metabolomicsTriple Quad 6500+cepharanthine hydrochloridedoxycyclineLC-MS/MSAB SCIEX Triple Quad 6500+Agilent 1290 Infinity II UHPLCKlebsiella pneumoniaeenergy metabolismMass spectrometric analysis was performed using a SCIEX Triple Quad 6500+ triple quadrupole mass spectrometer equipped with an IonDrive Turbo V ESI ion source. Data were acquired in multiple reaction monitoring (MRM) mode. The ion source parameters were as follows: Curtain Gas, 35 psi; IonSpray Voltage, +5500 V / -4500 V; Temperature, 400°C; Ion Source Gas 1, 50 psi; and Ion Source Gas 2, 50 psi. Data acquisition and quantitative analysis were performed using SCIEX Analyst Work Station Software 1.7.3 and automated analysis software.falseWhole genome sequencing and targeted metabolomics of multidrug-resistant Klebsiella pneumoniae KP21-10CThis study investigates multidrug-resistant Klebsiella pneumoniae KP21-10C using whole genome sequencing and targeted energy metabolomics. Genomic sequencing data were generated to characterize the bacterial genome, and targeted LC-MS/MS metabolomics was performed to quantify energy metabolism-related metabolites under doxycycline monotherapy and cepharanthine hydrochloride plus doxycycline combination treatment.2026-06-252026-06-25MTBLS14858