#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