#METABOLOMICS WORKBENCH syfoods_20240218_184626 DATATRACK_ID:4657 STUDY_ID:ST003099 ANALYSIS_ID:AN005070 PROJECT_ID:PR001923 VERSION 1 CREATED_ON February 18, 2024, 7:16 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 - 081S0 Sample source:fecal | Factor:intervention RAW_FILE_NAME=081S0.mzML SUBJECT_SAMPLE_FACTORS - 081S1 Sample source:fecal | Factor:intervention RAW_FILE_NAME=081S1.mzML SUBJECT_SAMPLE_FACTORS - 081S14 Sample source:fecal | Factor:intervention RAW_FILE_NAME=081S14.mzML SUBJECT_SAMPLE_FACTORS - 081S18 Sample source:fecal | Factor:intervention RAW_FILE_NAME=081S18.mzML SUBJECT_SAMPLE_FACTORS - 081S7 Sample source:fecal | Factor:intervention RAW_FILE_NAME=081S7.mzML SUBJECT_SAMPLE_FACTORS - 107S0 Sample source:fecal | Factor:intervention RAW_FILE_NAME=107S0.mzML SUBJECT_SAMPLE_FACTORS - 107S1 Sample source:fecal | Factor:intervention RAW_FILE_NAME=107S1.mzML SUBJECT_SAMPLE_FACTORS - 107S14 Sample source:fecal | Factor:intervention RAW_FILE_NAME=107S14.mzML SUBJECT_SAMPLE_FACTORS - 107S18 Sample source:fecal | Factor:intervention RAW_FILE_NAME=107S18.mzML SUBJECT_SAMPLE_FACTORS - 107S7 Sample source:fecal | Factor:intervention RAW_FILE_NAME=107S7.mzML SUBJECT_SAMPLE_FACTORS - 120S0 Sample source:fecal | Factor:intervention RAW_FILE_NAME=120S0.mzML SUBJECT_SAMPLE_FACTORS - 120S1 Sample source:fecal | Factor:intervention RAW_FILE_NAME=120S1.mzML SUBJECT_SAMPLE_FACTORS - 120S14 Sample source:fecal | Factor:intervention RAW_FILE_NAME=120S14.mzML SUBJECT_SAMPLE_FACTORS - 120S18 Sample source:fecal | Factor:intervention RAW_FILE_NAME=120S18.mzML SUBJECT_SAMPLE_FACTORS - 120S7 Sample source:fecal | Factor:intervention RAW_FILE_NAME=120S7.mzML SUBJECT_SAMPLE_FACTORS - 122S0 Sample source:fecal | Factor:intervention RAW_FILE_NAME=122S0.mzML SUBJECT_SAMPLE_FACTORS - 122S1 Sample source:fecal | Factor:intervention RAW_FILE_NAME=122S1.mzML SUBJECT_SAMPLE_FACTORS - 122S14 Sample source:fecal | Factor:intervention RAW_FILE_NAME=122S14.mzML SUBJECT_SAMPLE_FACTORS - 122S18 Sample source:fecal | Factor:intervention RAW_FILE_NAME=122S18.mzML SUBJECT_SAMPLE_FACTORS - 122S7 Sample source:fecal | Factor:intervention RAW_FILE_NAME=122S7.mzML SUBJECT_SAMPLE_FACTORS - 180S0 Sample source:fecal | Factor:intervention RAW_FILE_NAME=180S0.mzML SUBJECT_SAMPLE_FACTORS - 180S1 Sample source:fecal | Factor:intervention RAW_FILE_NAME=180S1.mzML SUBJECT_SAMPLE_FACTORS - 180S14 Sample source:fecal | Factor:intervention RAW_FILE_NAME=180S14.mzML SUBJECT_SAMPLE_FACTORS - 180S18 Sample source:fecal | Factor:intervention RAW_FILE_NAME=180S18.mzML SUBJECT_SAMPLE_FACTORS - 180S7 Sample source:fecal | Factor:intervention RAW_FILE_NAME=180S7.mzML SUBJECT_SAMPLE_FACTORS - 185S0 Sample source:fecal | Factor:control RAW_FILE_NAME=185S0.mzML SUBJECT_SAMPLE_FACTORS - 185S1 Sample source:fecal | Factor:control RAW_FILE_NAME=185S1.mzML SUBJECT_SAMPLE_FACTORS - 185S14 Sample source:fecal | Factor:control RAW_FILE_NAME=185S14.mzML SUBJECT_SAMPLE_FACTORS - 185S18 Sample source:fecal | Factor:control RAW_FILE_NAME=185S18.mzML SUBJECT_SAMPLE_FACTORS - 185S7 Sample source:fecal | Factor:control RAW_FILE_NAME=185S7.mzML SUBJECT_SAMPLE_FACTORS - 188S0 Sample source:fecal | Factor:control RAW_FILE_NAME=188S0.mzML SUBJECT_SAMPLE_FACTORS - 188S1 Sample source:fecal | Factor:control RAW_FILE_NAME=188S1.mzML SUBJECT_SAMPLE_FACTORS - 188S14 Sample source:fecal | Factor:control RAW_FILE_NAME=188S14.mzML SUBJECT_SAMPLE_FACTORS - 188S18 Sample source:fecal | Factor:control RAW_FILE_NAME=188S18.mzML SUBJECT_SAMPLE_FACTORS - 188S7 Sample source:fecal | Factor:control RAW_FILE_NAME=188S7.mzML SUBJECT_SAMPLE_FACTORS - 907S0 Sample source:fecal | Factor:intervention RAW_FILE_NAME=907S0.mzML SUBJECT_SAMPLE_FACTORS - 907S1 Sample source:fecal | Factor:intervention RAW_FILE_NAME=907S1.mzML SUBJECT_SAMPLE_FACTORS - 907S14 Sample source:fecal | Factor:intervention RAW_FILE_NAME=907S14.mzML SUBJECT_SAMPLE_FACTORS - 907S18 Sample source:fecal | Factor:intervention RAW_FILE_NAME=907S18.mzML SUBJECT_SAMPLE_FACTORS - 907S7 Sample source:fecal | Factor:intervention RAW_FILE_NAME=907S7.mzML SUBJECT_SAMPLE_FACTORS - 908S0 Sample source:fecal | Factor:control RAW_FILE_NAME=908S0.mzML SUBJECT_SAMPLE_FACTORS - 908S1 Sample source:fecal | Factor:control RAW_FILE_NAME=908S1.mzML SUBJECT_SAMPLE_FACTORS - 908S14 Sample source:fecal | Factor:control RAW_FILE_NAME=908S14.mzML SUBJECT_SAMPLE_FACTORS - 908S18 Sample source:fecal | Factor:control RAW_FILE_NAME=908S18.mzML SUBJECT_SAMPLE_FACTORS - 908S7 Sample source:fecal | Factor:control RAW_FILE_NAME=908S7.mzML SUBJECT_SAMPLE_FACTORS - 909S0 Sample source:fecal | Factor:control RAW_FILE_NAME=909S0.mzML SUBJECT_SAMPLE_FACTORS - 909S1 Sample source:fecal | Factor:control RAW_FILE_NAME=909S1.mzML SUBJECT_SAMPLE_FACTORS - 909S14 Sample source:fecal | Factor:control RAW_FILE_NAME=909S14.mzML SUBJECT_SAMPLE_FACTORS - 909S18 Sample source:fecal | Factor:control RAW_FILE_NAME=909S18.mzML SUBJECT_SAMPLE_FACTORS - 909S7 Sample source:fecal | Factor:control RAW_FILE_NAME=909S7.mzML #COLLECTION CO:COLLECTION_SUMMARY feces were collected at and stored at -80°C for SCFAs, bile acids, tryptophan CO:COLLECTION_SUMMARY analysis CO:SAMPLE_TYPE Feces 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 100 mg of sample was extracted in 50 μL of 15% phosphoric acid with 100 μL of SP:SAMPLEPREP_SUMMARY 125 μg/mL 4-methyl valeric acid solution as internal standard and 400 μL SP:SAMPLEPREP_SUMMARY ether, and were centrifuged at 4 °C for 10 min at 12000 rpm after vortexing for SP:SAMPLEPREP_SUMMARY 1 min and the supernatant was transferred into the vial SP:PROCESSING_STORAGE_CONDITIONS 4℃ SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Thermo Trace 1310 CH:COLUMN_NAME Agilent HP-INNOWAX (30 m × 0.25 mm ID × 0.25 μm) CH:SOLVENT_A none CH:SOLVENT_B none CH:FLOW_GRADIENT none CH:FLOW_RATE 1 mL/min CH:COLUMN_TEMPERATURE 90 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo ISQ LT MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE UNSPECIFIED 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 908S0 188S0 909S0 185S0 180S0 907S0 081S0 107S0 120S0 122S0 908S1 188S1 909S1 185S1 180S1 907S1 081S1 107S1 120S1 122S1 908S7 188S7 909S7 185S7 180S7 907S7 081S7 107S7 120S7 122S7 908S14 188S14 909S14 185S14 180S14 907S14 081S14 107S14 120S14 122S14 908S18 188S18 909S18 185S18 180S18 907S18 081S18 107S18 120S18 122S18 Factors Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Acetic acid 589.7278 1266.2085 1389.0248 912.8788 1246.3925 1524.1775 1123.0604 1285.4055 540.0899 856.2948 1113.9982 1438.9934 1410.6399 1121.9686 1124.4231 1469.1813 1447.0789 1559.1252 824.9615 1091.1923 1584.4013 1393.5738 1481.1076 1084.9561 1027.4999 1212.5608 1208.5463 977.1179 1324.1258 1271.755 1281.4432 983.4492 1260.6448 1005.5073 1332.8504 1473.6066 1149.5257 1480.5442 830.2487 952.6173 1260.5569 1280.9046 778.9635 959.8083 1020.2756 1489.6591 1233.5532 1276.8032 1702.2542 945.8065 Butyric acid 37.1589 40.4442 192.7869 48.486 352.7118 187.6208 90.3984 343.2851 90.957 250.9861 106.2905 97.8478 125.304 149.1164 269.5547 197.7802 286.9776 71.8461 144.7599 254.3398 133.6718 117.2867 236.7619 130.5916 64.1124 109.3923 336.2943 253.4252 188.9024 405.6604 126.3118 154.2265 152.3542 124.3543 75.1977 46.3427 60.7688 645.5627 281.8068 293.1265 25.7563 112.3383 143.67 211.2839 52.7729 146.5599 47.8441 372.8782 30.3908 334.8959 Isovaleric acid 7.5377 8.0918 13.4351 6.1603 32.547 11.5995 7.0271 13.2505 5.71 4.8891 7.3549 12.5725 14.1657 5.3175 18.6835 10.7109 16.0167 5.0733 7.7181 7.7605 17.5207 16.2873 13.0023 5.9458 7.7981 13.9923 11.3631 16.4755 13.2823 24.6266 11.5832 11.2774 15.6766 11.5581 5.1927 13.446 14.5265 12.6377 11.3332 15.5223 5.7786 26.2019 4.3436 9.4211 7.7327 15.9871 16.9367 13.5811 7.8932 17.9222 Valeric acid 21.6575 32.8352 46.1495 24.2761 78.288 63.573 32.1743 61.2908 23.8535 51.7903 37.7879 43.0801 77.0509 30.7935 59.5219 49.4567 72.5606 44.8235 28.5842 57.0616 58.5176 58.2339 65.2828 29.5612 28.47 40.7896 55.5863 50.1175 61.8024 92.4523 44.4699 42.9418 49.0017 37.1473 45.592 37.5303 40.4895 63.2803 58.9606 64.7754 28.3425 54.8678 25.7831 60.9994 30.3894 46.4716 32.8891 67.7325 36.87 71.4774 Caproic_acid 1.2728 1.308 1.8093 1.0181 2.093 1.4077 1.1904 2.223 1.3899 1.718 1.359 1.1104 1.6217 0.9459 1.6993 1.0873 2.2332 1.5259 1.2097 1.6542 2.4682 1.2715 1.3972 0.7571 1.051 1.7062 2.0512 1.4851 1.5763 2.3563 1.8285 1.4746 1.2992 3.6429 1.2988 1.1739 1.4276 1.7583 1.7404 1.6049 1.3023 1.9907 1.0539 1.4147 1.3134 1.4413 1.455 1.351 3.5235 1.9611 Isobutyric acid 9.5592 14.1926 13.4308 9.1691 38.5881 25.708 11.4469 17.9627 7.154 10.3662 11.3259 20.318 20.0606 9.4583 24.9869 15.6448 25.445 14.2259 11.2454 13.0288 22.0813 25.3869 17.2503 9.3658 14.323 17.7228 14.5959 20.3884 16.9332 29.76 15.943 14.6038 19.8486 12.4845 11.8205 17.9765 16.9728 18.385 15.1379 18.7722 7.7711 24.4583 5.9302 12.966 8.317 19.6071 17.8535 18.6719 10.7179 18.4265 Propionic acid 127.1818 179.3495 231.1623 209.7833 303.6689 372.8698 262.3762 349.2878 117.2237 217.6681 217.8804 334.0653 297.8611 248.3542 291.4182 344.1006 323.0539 315.5959 196.6313 286.8202 324.9799 312.1191 318.8822 215.2499 190.2744 154.1673 230.174 238.1305 284.4415 293.0789 241.4991 279.1159 250.2442 189.6221 312.0575 222.882 198.3512 411.6977 211.3616 255.9692 198.8905 257.4016 250.2236 293.2378 171.3846 243.247 168.5848 300.8181 230.2388 240.1383 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID Isobutyric acid 6.1 0 6590 C02632 Acetic acid 4.64 0 176 C00033 Butyric acid 6.98 0 264 C00246 Isovaleric acid 7.64 0 10430 C08262 Valeric acid 8.77 0 7991 C00803 Caproic_acid 10.23 0 8892 C01585 Propionic acid 5.7 0 1032 D02310 METABOLITES_END #END