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ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14375/m_MTBLS14375_LC-MS_negative_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14375/a_MTBLS14375_LC-MS_negative_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14375/s_MTBLS14375.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14375/i_Investigation.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14375A database was constructed based on self-built targeted standards for qualitative analysis of the raw mass spectrometry data. Quantification was accomplished using the multiple reaction monitoring (MRM) mode of triple quadrupole mass spectrometry. In the MRM mode, the first quadrupole selects the precursor ions (parent ions) of the target compounds, eliminating other ions with the same mass-to-charge ratio, achieving initial interference rejection. The precursor ions then enter the collision cell and undergo collision-induced dissociation (CID) to form multiple fragment ions. The fragment ions are further specifically screened by the third quadrupole to obtain the required characteristic product ions, further eliminating non-target ion interference, making the quantification more accurate and repeatable. After obtaining the mass spectrometry analysis data of different samples, the chromatographic peaks of all target substances were integrated, and the quantitative analysis was completed in combination with the standard curve.MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseUsing a Kinetex C8 chromatographic column (100Å, 2.6 µm, 2.1 mm × 100 mm), with a flow rate of 0.3 mL/min, the column temperature set at 40 ℃, the auto-injector at 4 ℃, and the injection volume of 1 μL. The mobile phase A is 0.1% formic acid water, and the mobile phase B is 50% methanol - isopropanol (containing 0.1% formic acid). The gradient of the mobile phase is as follows: 0 - 1 min: A/B is 80:20 (V/V); 6 min: A/B is 60:40 (V/V); 9 - 10 min: A/B is 80:20 (V/V).Multi-omics profiling unravels novel oncogenic mechanisms in colorectal cancer initiation.Xiangya Hospital, Central South Universityjiang feifecesmass spectrometry assay1. The entire experiment was conducted on ice.2. Take 20 mg of solid sample and add it to a 2 mL centrifuge tube. Add two steel balls and 800 μL of the extraction agent (containing an internal standard). Vortex for 60 seconds.3. Put it in the tissue grinder and grind at 55 Hz for 60 seconds.4. Repeat this process once.5. Centrifuge at 4000g and 10°C for 10 minutes.6. Take 40 μL of the supernatant, add 20 μL of 200 mM 3-NPH and mix well.7. Add 20 μL of 120 mM (EDC)·HCl - 6% pyridine solution and mix well.8. At 40°C in a constant temperature metal shaker, vortex and react for 30 minutes.9. After the reaction, place it on ice to cool for 3 minutes.10. Centrifuge at 12000g and 4°C for 10 minutes.11. Take 50 μL of the supernatant, add 150 μL of 30% formic acid (v/v, containing 0.1% formic acid) to make up to 200 μL, vortex and mix well for 60 seconds.12. Centrifuge at 12000g and 4°C for 10 minutes.13. Take the supernatant and pass it through a 0.22 μm filter membrane. Transfer the filtrate to a bottle, with the volume of the bottle not less than 50 μL per bottle.Mus musculushttps://www.ebi.ac.uk/metabolights/MTBLS14375jiang fei. Xiangya Hospital Central South University. feijiangfj@csu.edu.cn.The software and version for the conversion of raw data are ProteoWizard 3.0.24.Treatmentfeijiangfj@csu.edu.cnThe origin of samples is feces. Stored in -80 degree.MetabolomicsSCIEX OSMetabolomicsAB SCIEX Triple Quad 6500+Mus musculuscolorectal cancertargeted analysisDanaher (China)ExionLC AEexperimental blankfecesSCIEX OSMetabolomicsAB SCIEX Triple Quad 6500+Mus musculuscolorectal cancertargeted analysisDanaher (China)ExionLC AEexperimental blankfecesThe SCIEX Citrine Triple Quad TM mass spectrometer uses the software OS (version: 4.7, SCIEX). In the ESI (Electrospray Ionization, ESI) negative mode, it adopts the multiple reaction monitoring (Multiple Reaction Monitoring, MRM) data acquisition method. Ion source parameters: the negative mode voltage of the ion spray (Ionspray, IS) is 4500V, the spray gas (GS1) and auxiliary heating gas (GS2) are 50 psi and 50 psi respectively, and the desolvation gas temperature is 550℃; the gas curtain gas (Curtain Gas, CUR) is 30 psi, and the collision gas (Collision Gas, CAD) is 10.falseTargeted metabolomics of mouse fecesTargeted metabolomics of mouse feces. Mice were divided into two groups2026-04-252026-04-25MTBLS14375