#METABOLOMICS WORKBENCH syfoods_20240218_173637 DATATRACK_ID:4656 STUDY_ID:ST003098 ANALYSIS_ID:AN005069 PROJECT_ID:PR001923 VERSION 1 CREATED_ON February 18, 2024, 6:04 pm #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 100 μL of 80% methanol, and were centrifuged at 4 °C SP:SAMPLEPREP_SUMMARY for 10 min at 12000 rpm after vortexing for 120s and the supernatant was SP:SAMPLEPREP_SUMMARY resolved 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 Waters Acquity CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (150 x 2.1mm,1.8um) CH:SOLVENT_A formic acid in water CH:SOLVENT_B formic acid in methanol CH:FLOW_GRADIENT 1% B； 2~3 min， 1~30% B； 3~3.5 min， 30% B； 4.5~8 min， 30~50% B； CH:FLOW_GRADIENT 8~10 min， 50~95% B； 10~11 min， 95% B； 11~17 min， 95~1% B CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS 45 arbitrary units (AU), 13 AU, 1 AU, 350 °C, and 350 °C for sheath gas, aux MS:MS_COMMENTS gas, sweep gas, ion transfer tube, and vaporizer temperature, respectively. The MS:MS_COMMENTS ion source was operated using heated ESI with an ion spray voltage set at 5500 V MS:MS_COMMENTS in positive ion mode. Polarity switching and scheduled selected reaction MS:MS_COMMENTS monitoring (SRM) were employed.MS Convert software (Proteowizard, v3.0.8789) was MS:MS_COMMENTS applied to convert “.raw” format raw data to “.mzML” format, which would MS:MS_COMMENTS be used for downstream 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 2AP 0.032480772 0.019410632 0.023510593 0.035902576 0.03243744 0.018472778 0.019270199 0.050159216 0.039469172 0.01657016 IND 44.10492582 29.95433551 29.17897233 34.9187822 26.5662 20.93718254 22.347251 12.68768627 9.340206897 24.6394 Nam 0.00588968 0.003659826 0.013246364 0.008128806 0.00482608 0.00169427 0.009126135 0.013763529 0.010843172 0.0075908 Na 33.64682493 31.70897603 22.2484585 34.32740047 24.95332 22.18301587 27.72135458 30.05027451 23.64434483 28.5242 PA 3MI IAld 0.823732938 0.567071895 0.519940711 0.662234192 0.502 0.393453175 0.436478088 0.265424314 0.204810345 0.495444 5-HAA 3-HAA TRM 0.024150861 0.014676364 0.014369227 0.00916092 0.009743651 0.007929562 0.015458863 0.013029172 0.00852624 IEt 0.130448665 0.118516206 0.121910539 0.1100632 0.124011111 0.106041833 0.117583137 0.087595172 0.0996328 I3CA 0.042797864 0.037737778 0.028671462 0.036925995 0.0444536 0.023804881 0.028213347 0.025968275 0.016183172 0.03254504 QA IAM 0.004762261 0.004333725 0.003063324 0.044125105 0.0056406 0.002250647 0.005988088 0.004552 0.003159752 0.00756812 IAA 3.873649852 2.536753813 2.384640316 3.367044496 2.336924 1.824313492 2.211350598 1.417580392 1.062627586 2.710176 Ser 0.022936024 0.027714641 0.05408419 0.057358782 0.02477896 0.03314377 0.009041036 0.064328627 0.052450759 0.00759576 IArA 0.035908843 0.008115033 0.020125138 0.008976253 0.0156294 0.009500754 0.004674104 0.006747333 0.006279614 0.004866 IPA 0.286803561 0.031840305 0.060404743 0.044290398 0.0596588 0.034009365 0.014214661 0.024040392 0.016411724 0.0455616 KynA 2.551620178 2.030636166 1.808367589 2.339522248 2.53516 1.484464286 2.06536255 2.066705882 1.427103448 2.14146 MeOTA 5-HIAA 0.038481543 0.051839216 0.069820553 0.062989696 0.0509568 0.048405159 0.042497211 0.081333725 0.050192207 0.02543928 Trp 22.78468843 18.75917211 12.00600791 16.2070726 16.32452 16.28587302 17.15816733 17.72462745 24.06062069 14.63028 XA 0.268947181 0.227147277 0.193287352 0.131891335 0.30189 0.140001984 0.134141036 0.131511765 0.090941379 0.0744876 ILA 0.170342433 0.209528976 0.115994862 0.086645902 0.1149092 0.156344048 0.145768924 0.110321176 0.065560069 0.2565408 Kyn 0.241157864 0.173010022 0.211333202 0.219403279 0.1820084 0.131200397 0.139488048 0.125891765 0.080357931 0.215306 MT NAS 0.001702516 0.002209974 0.001402518 0.001276403 0.002199432 0.001448036 0.001481988 0.001609047 0.001449545 0.00127028 5HTP 0.039747359 0.027684532 0.040200791 0.046100609 0.025090238 0.020358884 0.026324824 0.015847172 0.02375952 HK MEL MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID 2AP 1.95 110.053 0 0 IND 9.29 118.273 0 0 Nam 1.86 123.057 0 0 Na 1.82 124.021 0 0 PA 1.56 124.091 0 0 3MI 10.8 132.071 0 0 IAld 9.26 146.12 0 0 5-HAA 1.72 154.082 0 0 3-HAA 5.4 154.09 0 0 TRM 5.87 161.053 0 0 IEt 9.62 162.057 0 0 I3CA 9.29 162.069 0 0 QA 1.83 168.046 0 0 IAM 7.62 175.054 0 0 IAA 9.66 176.087 0 0 Ser 2.83 177.122 0 0 IArA 10.2 188.023 0 0 IPA 10.2 189.993 0 0 KynA 6.78 190.031 0 0 MeOTA 6.11 191.252 0 0 5-HIAA 6.22 192.048 0 0 Trp 5.86 205.037 0 0 XA 6.48 206.054 0 0 ILA 8.95 206.081 0 0 Kyn 3.63 209.089 0 0 MT 6.9 219.102 0 0 NAS 6.41 219.108 0 0 5HTP 3.19 221.106 0 0 HK 2.05 225.088 0 0 MEL 9.33 233.159 0 0 METABOLITES_END #END