MetaboLights

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ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14200/m_MTBLS14200_LC-MS_negative_reverse-phase-1_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14200/m_MTBLS14200_LC-MS_positive_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14200/m_MTBLS14200_LC-MS_negative_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14200/m_MTBLS14200_LC-MS_positive_reverse-phase-1_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14200/a_MTBLS14200_LC-MS_negative_reverse-phase-1.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14200/a_MTBLS14200_LC-MS_negative_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14200/a_MTBLS14200_LC-MS_positive_reverse-phase-1.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14200/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14200/s_MTBLS14200.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14200/a_MTBLS14200_LC-MS_positive_reverse-phase.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14200Metabolite identification was performed by searching against multiple databases, including HMDB (http://www.hmdb.ca/), Metlin (https://metlin.scripps.edu/), and the Majorbio in-house database.MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phase LC-MS/MS analysis was performed on a UHPLC-Q Exactive HF-X system equipped with an ACQUITY HSS T3 column (100 mm × 2.1 mm, 1.8 μm; Waters, USA) at Majorbio Bio-Pharm Technology Co., Ltd. (Shanghai, China). The mobile phase consisted of solvent A [water/acetonitrile (98:2, v/v) containing 0.1% formic acid] and solvent B [acetonitrile containing 0.1% formic acid]. The flow rate was 0.40 mL/min, the column temperature was maintained at 40 °C, and the injection volume was 5 μL.Integrated microbiome and metabolome analysis of milk of lactational mastitis women in remission period.æå·æ±åºå»å¦å®éªå®¤tian zhenmilkmass spectrometry assay Metabolite extraction was performed by adding 100 µL of milk sample to a 1.5 mL centrifuge tube containing 800 µL of acetonitrile/methanol (1:1, v/v) spiked with four internal standards (including 0.02 mg/mL L-2-chlorophenylalanine). The mixture was vortexed for 30 s and subjected to low-temperature ultrasonication at 5 ℃ and 40 kHz for 30 min. Samples were then incubated at -20 ℃ for 30 min to precipitate proteins, followed by centrifugation at 13,000×g and 4 ℃ for 15 min. The resulting supernatant was collected and evaporated to dryness under a gentle stream of nitrogen. The dried residue was reconstituted in 100 µL of acetonitrile/water (1:1, v/v), sonicated at 5 ℃ and 40 kHz for 5 min, and centrifuged at 13,000×g and 4 ℃ for 10 min. The clear supernatant was transferred to sample vials for subsequent LC-MS/MS analysis.Homo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS14200Gu Xidong. The First Affiliated Hospital of Zhejiang Chinese Medical University (Zhejiang Provincial Hospital of Chinese Medicine). No. 54, YouDian Road, Shangcheng District,HangZhou,ZheJiang,China. 20083011@zcmu.edu.cn.UHPLC-MS raw data were converted to a common data format using Progenesis QI software (Waters, Milford, USA). The processing workflow included baseline filtering, peak identification, peak integration, retention time correction, and peak alignment. Following processing, a data matrix containing sample names, m/z values, retention times, and peak intensities was exported for subsequent statistical analysis. Disease18739421159@163.com A total of 15 lactational mastitis patients in remission period and 15 age-matched healthy lactating women as controls were recruited. Both groups donated human milk samples.  Before sample collection, the participant's breast, nipple, and areola area should be cleaned. First, thoroughly wash the area with soapy water, then rinse it clean with sterile water. Allow it to air dry naturally or gently pat it dry with sterile gauze. The operator must strictly follow the seven-step handwashing technique to thoroughly clean their hands, ensuring hand asepsis. Use an aseptic technique to manually express the breast. First, discard the initial 2 mL of milk expressed (to avoid contamination). Then, collect the subsequent milk into a sterile sputum cup until the sample volume reaches 20 mL.MetabolomicsMetabolomicsWaters ACQUITY UPLC H-Class SystemmastitisThermo Scientific Orbitrap Exploris 240Healthuntargeted analysisThermo Scientific Vanquish Flex UHPLC SystemmilkHomo sapienslipidreference compound mixuntargeted metabolite profilingexperimental sampleThermo Scientific Q Exactive HF-XMetabolomicsWaters ACQUITY UPLC H-Class SystemmastitisThermo Scientific Orbitrap Exploris 240Healthuntargeted analysisThermo Scientific Vanquish Flex UHPLC SystemmilkHomo sapienslipidreference compound mixuntargeted metabolite profilingexperimental sampleThermo Scientific Q Exactive HF-X Mass spectrometry was performed using a UHPLC-Q Exactive HF-X mass spectrometer equipped with an electrospray ionization (ESI) source, operating in both positive and negative ion modes. The optimized source parameters were as follows: source temperature, 400 °C; sheath gas flow rate, 40 arb; auxiliary gas flow rate, 10 arb. The ion-spray voltage was set to +3500 V for positive mode and –2800 V for negative mode. For MS/MS acquisition, a stepped normalized collision energy of 20, 40, and 60 V was applied. Data were acquired in data-dependent acquisition (DDA) mode over a mass range of m/z 70–1050.falseIntegrated microbiome and metabolome analysis of milk of lactational mastitis women in remission periodLactational mastitis is a disease that brings pain to mothers and interrupts breastfeeding. After remission, mothers and doctors care about whether the milk is suitable to continue breastfeeding or not. However, relevant research, particularly multi-omics studies focusing on the remission phase of lactational mastitis, remains scarce.2026-04-012026-04-01MTBLS14200