#METABOLOMICS WORKBENCH syfoods_20240218_013413 DATATRACK_ID:4655 STUDY_ID:ST003097 ANALYSIS_ID:AN005068 PROJECT_ID:PR001923 VERSION 1 CREATED_ON February 18, 2024, 2:16 am #PROJECT PR:PROJECT_TITLE Probiotic intervention of FMT mice PR:PROJECT_SUMMARY L. plantarum intervention of gestational fecal microbiome transplant germ-free PR:PROJECT_SUMMARY mice PR:INSTITUTE Beijing Sanyuan Foods Co. Ltd PR:LAST_NAME Bin PR:FIRST_NAME Liu PR:ADDRESS 8th yingchang street, yinghai distric PR:EMAIL liubin@sanyuan.com.cn PR:PHONE 01056306594 #STUDY ST:STUDY_TITLE probiotic on gestational health of FMT GF mice ST:STUDY_SUMMARY probiotic L.plantarum intervention gestational on FMT GF mice ST:INSTITUTE Beijing Sanyuan Foods Co. Ltd ST:LAST_NAME Liu ST:FIRST_NAME Bin ST:ADDRESS 8th yingchang street, yinghai distric ST:EMAIL liubin@sanyuan.com.cn ST:PHONE 01056306594 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 908MN Sample source:cecum content | Factor:control RAW_FILE_NAME=Wangyaru-P220801102.mzML SUBJECT_SAMPLE_FACTORS - 188MN Sample source:cecum content | Factor:control RAW_FILE_NAME=Wangyaru-P220801103.mzML SUBJECT_SAMPLE_FACTORS - 909MN Sample source:cecum content | Factor:control RAW_FILE_NAME=Wangyaru-P220801104.mzML SUBJECT_SAMPLE_FACTORS - 185MN Sample source:cecum content | Factor:control RAW_FILE_NAME=Wangyaru-P220801105.mzML SUBJECT_SAMPLE_FACTORS - 180MN Sample source:cecum content | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801106.mzML SUBJECT_SAMPLE_FACTORS - 907MN Sample source:cecum content | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801107.mzML SUBJECT_SAMPLE_FACTORS - 81MN Sample source:cecum content | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801108.mzML SUBJECT_SAMPLE_FACTORS - 107MN Sample source:cecum content | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801109.mzML SUBJECT_SAMPLE_FACTORS - 120MN Sample source:cecum content | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801110.mzML SUBJECT_SAMPLE_FACTORS - 122MN Sample source:cecum content | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801111.mzML #COLLECTION CO:COLLECTION_SUMMARY cecum content sample was collected and stored at -80°C environment CO:SAMPLE_TYPE Cecum CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY mice were randomly assigned into two experimental groups, named control and TR:TREATMENT_SUMMARY intervention groups, receiving standard chow feeding, and standard chow + L. TR:TREATMENT_SUMMARY plantarum #SAMPLEPREP SP:SAMPLEPREP_SUMMARY sample was extracted in 400 μL of methanol, and were centrifuged at 4 °C for SP:SAMPLEPREP_SUMMARY 10 min at 12000 rpm after vortexing for 10 min and the supernatant was resolved SP:SAMPLEPREP_SUMMARY in water and filtered and then transferred into the vial SP:PROCESSING_STORAGE_CONDITIONS 4℃ SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE LC CH:INSTRUMENT_NAME Shimmadzu LC-30 CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A formic acid in water CH:SOLVENT_B acetonitrile CH:FLOW_GRADIENT 30% B; 9~14 min, 30~36% B; 14~18 min,36~38% B; 18~24 min, 38~50% B; 24~32 min, CH:FLOW_GRADIENT 50~75% B; 32~33 min, 75~90% B; 33~35.5 min, 90~30% B CH:FLOW_RATE 0.25 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500+ MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Single ion monitoring (SIM) mode was used with the electron energy of 70 eV.MS MS:MS_COMMENTS Convert software (Proteowizard, v3.0.8789) was applied to convert “.raw” MS:MS_COMMENTS format raw data to “.mzML” format, which would be used for downstream MS:MS_COMMENTS analysis. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS μg/g MS_METABOLITE_DATA_START Samples 908MN 188MN 909MN 185MN 180MN 907MN 81MN 107MN 120MN 122MN Factors Sample source:cecum content | Factor:control Sample source:cecum content | Factor:control Sample source:cecum content | Factor:control Sample source:cecum content | Factor:control Sample source:cecum content | Factor:intervention Sample source:cecum content | Factor:intervention Sample source:cecum content | Factor:intervention Sample source:cecum content | Factor:intervention Sample source:cecum content | Factor:intervention Sample source:cecum content | Factor:intervention alloLCA 0.788304094 1.033333333 0.920158103 0.936820926 1.113253012 0.918058252 1.183366337 1.304738155 1.024242424 1.024505929 LCA 47.48538012 50.71428571 50.27667984 34.52716298 47.71084337 46.36893204 40.63366337 42.19451372 16.81818182 32.96442688 isoLCA 4.397660819 4.833333333 3.960474308 3.766599598 4.337349398 4.147572816 3.84950495 4.578553616 2.333333333 3.960474308 NorDCA 0.8 1.419047619 1.892490119 1.009255533 2.33253012 2.069126214 1.024158416 2.426932668 1.512121212 0.509881423 S7ketoLCA 0.624561404 0.376190476 3.035573123 0.927162978 1.759036145 0.288932039 0.774653465 0.204987531 0.172727273 0.13826087 S12ketoLCA 40.23391813 46.9047619 62.13438735 54.80885312 43.85542169 66.40776699 58.69306931 38.3042394 27.51515152 40.79051383 betaUDCA 0.881871345 0.769047619 1.909090909 0.832997988 1.590361446 0.477669903 1.226138614 0.353117207 0.108484848 0.160316206 DCA 200 219.2857143 296.4426877 185.6740443 286.746988 205.5145631 266.1386139 196.0099751 99.39393939 113.8339921 CDCA 2.85380117 0.714285714 4.861660079 3.307847082 5.325301205 0.377475728 0.624950495 0.643391521 0.409090909 0.28458498 HDCA 3.859649123 12.16666667 6.592885375 3.38028169 15.20481928 4.100970874 10.19405941 6.224438903 5 7.470355731 NorCA 6.269005848 24.76190476 11.31225296 4.152917505 27.46987952 18.82718447 12.54653465 25.55610973 4.272727273 2.418972332 S712diketoLCA 1.284210526 1.076190476 4.055335968 1.878470825 1.587951807 1.08815534 1.558811881 1.379551122 1.1 0.86798419 S67diketoLCA 0.479051383 0.448192771 0.259009901 alphaMCA 57.07602339 57.38095238 139.2094862 54.32595573 122.6506024 64.0776699 91.00990099 46.08478803 17.51515152 24.90118577 UCA 1.447953216 2.142857143 3.936758893 1.885714286 3.277108434 2.563106796 3.231683168 3.261845387 1.642424242 1.038735178 betaMCA 626.9005848 569.047619 1024.505929 671.2273642 1096.385542 710.6796117 812.6732673 568.5785536 387.8787879 495.6521739 CA 7.485380117 12.4047619 144.9011858 37.90744467 237.8313253 3.937864078 27.32673267 8.049875312 1.981818182 1.524901186 ACA 20.46783626 30.23809524 78.49802372 23.39637827 94.45783133 39.37864078 43.96039604 40.69825436 16.03030303 11.14624506 GDCA 0.423391813 0.380952381 0.415019763 0.402409639 0.405436893 0.444356436 LCA3S 3.298245614 2.547619048 4.079051383 3.09054326 2.554216867 2.772815534 4.458852868 3.242424242 2.584980237 GCA 0.310671937 0.426506024 TLCA 0.397660819 0.415019763 0.379074447 0.431325301 THDCATUDCA 0.183625731 0.044285714 0.329644269 0.092716298 0.862650602 0.033320388 0.135920792 0.065835411 TDCA 1.511111111 0.464285714 4.079051383 1.142052314 3.686746988 0.66407767 1.287920792 0.619451372 0.5 0.33201581 TCDCA 3.134502924 0.388095238 0.626086957 0.444265594 0.542168675 0.417087379 0.320792079 0.514713217 0.433333333 0.42687747 TCA 1.684210526 0.830952381 2.395256917 1.076861167 3.879518072 0.813203883 0.924356436 1.427431421 1.318181818 0.585770751 TalphaMCA 0.90994152 0.266666667 2.490118577 0.651911469 2.387951807 0.298252427 0.537029703 0.311221945 0.193636364 0.162924901 THCA 0.374703557 0.173012048 TbetaMCA 15.0877193 5.523809524 41.26482213 12.84507042 101.9277108 7.339805825 11.23960396 6.074812968 3.212121212 3.960474308 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID alloLCA 31.1 375.302 94228 0 LCA 32.9 375.3 9903 C03990 isoLCA 31.4 375.288 164853? C17658 NorDCA 25.7 377.301 0 0 S7ketoLCA 30 389.3 0 0 S12ketoLCA 25.7 389.314 0 0 betaUDCA 20.7 391.311 0 0 DCA 28.5 391.3 0 0 CDCA 27.9 391.301 0 0 HDCA 23.2 391.303 0 0 NorCA 16 393.211 0 0 S712diketoLCA 11.7 403.25 0 0 S67diketoLCA 25.3 403.3 0 0 alphaMCA 15.6 407.3 0 0 UCA 10.9 407.301 0 0 betaMCA 16.6 407.302 0 0 CA 22.1 407.303 0 0 ACA 21.6 407.304 0 0 GDCA 24.1 448.279 0 0 LCA3S 31.7 455.196 0 0 GCA 15.4 464.281 0 0 TLCA 29.9 482.223 0 0 THDCATUDCA 12.9 498.411 0 0 TDCA 23.3 498.35 0 0 TCDCA 21.7 498.357 0 0 TCA 14 514.332 0 0 TalphaMCA 5.67 514.311 0 0 THCA 9.09 514.3 0 0 TbetaMCA 6.02 514.287 0 0 METABOLITES_END #END