Dataset Information

Mycelium of Diaporthe nobilis treated with 2% cell-free supernatant (CFS) from Bacillus velezensis A4 for 12 hours

ABSTRACT:

Mycelia of Diaporthe nobilis(50 mg) treated with CFS were collected,Each sample was homogenized in 400 µL of pre-cooled 80% methanol aqueous solution containing 0.02 mg/mL L-2-chlorophenylalanine (internal standard). The mixture was ground and subjected to ultrasonication at 4 °C for 30 min. After centrifugation, the filter supernatants were analyzed using a Thermo UHPLC-Q Exactive system equipped with an ACQUITY HSS T3 column (100 mm × 2.1 mm, 1.8 μm; Waters). Progenesis QI software was used for the analysis and processing of raw LC-MS data. Metabolite identification was performed by comparing with the Human Metabolome Database (HMDB), Metlin, and Majorbio databases. ANOVA, PCA, and OPLS-DA analyses were conducted with seven-cycle cross-validation. Metabolites with Variable Importance (VIP) >1 and eb_eye_copy_status eb_eye_metabolights_complete.xml eb_eye_metabolights_compounds.copy eb_eye_metabolights_compounds.xml eb_eye_metabolights_studies.copy europe_PMC_metabolights_studies.copy europe_PMC_metabolights_studies.xml studies.copy thomsonreuters_metabolights_studies.copy < 0.05 were classified as significantly different metabolites, and functional enrichment analysis was performed based on the KEGG database.

INSTRUMENT(S): Liquid Chromatography MS - negative - reverse-phase, Liquid Chromatography MS - positive - reverse-phase

PROVIDER: MTBLS13351 | MetaboLights | 2025-11-19

REPOSITORIES: MetaboLights

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Source:

			Action	DRS
	a_MTBLS13351_LC-MS_negative_reverse-phase_metabolite_profiling.txt	Txt
	a_MTBLS13351_LC-MS_positive_reverse-phase_metabolite_profiling.txt	Txt
	i_Investigation.txt	Txt
	m_MTBLS13351_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsv	Tabular
	m_MTBLS13351_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsv	Tabular

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Project description:<p>The sample to be tested was fully ground into powder in the grinder, 50 mg of the sample was freeze-dried, 1000 μL of the extraction solution containing the inner target was added (methanol:acetonitrile:water, 2:2:1, v/v/v, internal standard concentration 20 mg/L) and vortex mixed for 30 s; then add the steel ball to the 45 Hz grinder for 10 min, ultrasonic 10 min; the sample to be tested is obtained after filtration. When detecting metabolites, metabolite determination was performed based on the LC-MS system, which mainly consists of Waters Acquity I-Class PLUS ultra-high performance liquid tandem and Waters Xevo G2-XS QTof high-resolution mass spectrometer. Meanwhile, the Waters Acquity UPLC HSS T3 column (1.8 um 2.1 x 100 mm) was used as the chromatographic column. Positive and negative ion modes were used to determine the metabolites. Mobile phase A: 0.1% formic acid aqueous solution; Mobile phase B: 0.1% acetonitrile formate. The mobile phase conditions of liquid chromatography were as follows: the flow rate was 400 μL/min, 0.0 min: 98% flow A, 2% flow B; 0.25 min: 98% flow A, 2% flow B, 10.0 min: 2% flow A, 98% flow B; 13.0 min: 2% flow A, 98% flow B; 13.1 min: 98% flow A, 2% flow B; 15.0 min: 98% flow A, 2% flow B. MSe mode controlled by acquisition software (MassLynx v4.2, Waters) was used for primary and secondary mass spectrum data acquisition. ESI ion source parameters are as follows: Capillary voltage, 2500 V (positive ion mode) or -2000 V (negative ion mode); Cone hole voltage, 30 V; Ion source temperature, 100 °C; Desolvent temperature, 500 °C; Air flow rate, 50 L/h; Desolvent gas flow rate, 800 L/h; Plastic-nucleus ratio (m/z) collection range 50-1200 m/z. In the qualitative and quantitative analysis of metabolites, the original data collected by MassLynx v4.2 were processed by the Progenesis QI software for peak extraction, peak alignment, and other data, and the metabolites were identified based on the Progenesis QI software online METLIN database. Then, based on the results of the total score, MS2 score, and mass error (ppm), the metabolites were qualitatively determined.</p>

Dataset Information

Mycelium of Diaporthe nobilis treated with 2% cell-free supernatant (CFS) from Bacillus velezensis A4 for 12 hours

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