#METABOLOMICS WORKBENCH syfoods_20240218_013413 DATATRACK_ID:4655 STUDY_ID:ST003097 ANALYSIS_ID:AN005068 PROJECT_ID:PR001923
VERSION                          	1
CREATED_ON                       	07-06-2024
#PROJECT
PR:PROJECT_TITLE                 	Lactiplantibacillus plantarum intervention on gestational health of gestational
PR:PROJECT_TITLE                 	fecal microbiome transplant germ-free mice
PR:PROJECT_SUMMARY               	The study aims to investigate whether administration of probiotic L. plantarum
PR:PROJECT_SUMMARY               	could influence comprehensive gestational health by using germ-free mice, and
PR:PROJECT_SUMMARY               	characterizing its influence on relationships between the gut microbiome
PR:PROJECT_SUMMARY               	composition and metabolism.
PR:INSTITUTE                     	Beijing Sanyuan Foods Co. Ltd
PR:LAST_NAME                     	Lijun
PR:FIRST_NAME                    	Chen
PR:ADDRESS                       	8th yingchang street, yinghai distric
PR:EMAIL                         	chenlijun@sanyuan.com.cn
PR:PHONE                         	01056306594
PR:DOI                           	http://dx.doi.org/10.21228/M85149
#STUDY
ST:STUDY_TITLE                   	Lactiplantibacillus plantarum intervention on cecum bile acids of gestational
ST:STUDY_TITLE                   	fecal microbiome transplant germ-free mice
ST:STUDY_SUMMARY                 	The study aims to investigate whether administration of probiotic L. plantarum
ST:STUDY_SUMMARY                 	could influence profiling of cecum bile acids of germ-free mice. L. plantarum
ST:STUDY_SUMMARY                 	during gestation of humanized GF mice showed that allolithocholic acid was
ST:STUDY_SUMMARY                 	significantly increased. Other bile acids showed no significant difference.
ST:INSTITUTE                     	Beijing Sanyuan Foods Co. Ltd
ST:LAST_NAME                     	Lijun
ST:FIRST_NAME                    	Chen
ST:ADDRESS                       	8th yingchang street, yinghai district
ST:EMAIL                         	chenlijun@sanyuan.com.cn
ST:PHONE                         	01056306594
ST:SUBMIT_DATE                   	2024-02-18
#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]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	185MN	Sample source:cecum content | Factor:control	RAW_FILE_NAME=Wangyaru-P220801105.mzML
SUBJECT_SAMPLE_FACTORS           	-	188MN	Sample source:cecum content | Factor:control	RAW_FILE_NAME=Wangyaru-P220801103.mzML
SUBJECT_SAMPLE_FACTORS           	-	908MN	Sample source:cecum content | Factor:control	RAW_FILE_NAME=Wangyaru-P220801102.mzML
SUBJECT_SAMPLE_FACTORS           	-	909MN	Sample source:cecum content | Factor:control	RAW_FILE_NAME=Wangyaru-P220801104.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
SUBJECT_SAMPLE_FACTORS           	-	180MN	Sample source:cecum content | Factor:intervention	RAW_FILE_NAME=Wangyaru-P220801106.mzML
SUBJECT_SAMPLE_FACTORS           	-	81MN	Sample source:cecum content | Factor:intervention	RAW_FILE_NAME=Wangyaru-P220801108.mzML
SUBJECT_SAMPLE_FACTORS           	-	907MN	Sample source:cecum content | Factor:intervention	RAW_FILE_NAME=Wangyaru-P220801107.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Cecum content sample was collected and stored at -80°C environment for bile
CO:COLLECTION_SUMMARY            	acids analysis.
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. Probiotic was fed at a dose of 1*10^9 CFU/ml/kg body weight in PBS
TR:TREATMENT_SUMMARY             	solution by oral gavage (2 days/week, p.o., three weeks).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Sample was extracted in 400 μL of methanol, and vortexing and shaking for 60 s,
SP:SAMPLEPREP_SUMMARY            	add 100 mg of glass beads, and put into a high-throughput tissue grinder,
SP:SAMPLEPREP_SUMMARY            	grinding at 55 Hz for 60 s. Repeat the above operation at least twice;
SP:SAMPLEPREP_SUMMARY            	ultrasonic at room temperature for 30 min, centrifuged at 12,000 rpm at 4 ℃
SP:SAMPLEPREP_SUMMARY            	for 10 min, and 200 μL of supernatant mixed with 400 μL of water. Take 200 μL
SP:SAMPLEPREP_SUMMARY            	of supernatant and add 400 μL of water, vortex for 30 s; take 300 μL of
SP:SAMPLEPREP_SUMMARY            	supernatant and filter it through 0.22 μm membrane, vortex for 30 s. After
SP:SAMPLEPREP_SUMMARY            	centrifugation, take 20 μL of supernatant and dilute it 10 times with 180 μL
SP:SAMPLEPREP_SUMMARY            	of 30% methanol solution, and add it to the assay vial.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Shimmadzu LC-30
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um)
CH:COLUMN_TEMPERATURE            	40
CH:FLOW_GRADIENT                 	0-9 min, 30% B; 9-14 min, 30-36% B;14-18 min, 36-38% B;18-24 min, 38-50% B;24-32
CH:FLOW_GRADIENT                 	min, 50-75% B;32-33 min, 75-90% B;33-35.5 min, 90-30% B
CH:FLOW_RATE                     	5 μL/min
CH:SOLVENT_A                     	0.01% formic acid in water
CH:SOLVENT_B                     	100% acetonitrile
CH:CHROMATOGRAPHY_TYPE           	LC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 6500+
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	Ion source temperature 500°C, ion source voltage -4500 V, collision gas 6 psi,
MS:MS_COMMENTS                   	air curtain gas 30 psi, nebulizer gas and auxiliary gas both 50 psi. Scanning
MS:MS_COMMENTS                   	was performed using multiple reaction monitoring (MRM). The raw data were
MS:MS_COMMENTS                   	firstly converted to mzXML format by MSConvert in the ProteoWizard software
MS:MS_COMMENTS                   	package (v3.0.8789) (Adusumilli et al., 2017) and processed using XCMS
MS:MS_COMMENTS                   	(Domingo-Almenara et al., 2020) for feature detection, retention time correction
MS:MS_COMMENTS                   	and alignment.
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	μg/g
MS_METABOLITE_DATA_START
Samples	185MN	188MN	908MN	909MN	107MN	120MN	122MN	180MN	81MN	907MN
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	
ACA	23.3964	30.2381	20.4678	78.4980	40.6983	16.0303	11.1462	94.4578	43.9604	39.3786
alloLCA	0.9368	1.0333	0.7883	0.9202	1.3047	1.0242	1.0245	1.1133	1.1834	0.9181
alphaMCA	54.3260	57.3810	57.0760	139.2095	46.0848	17.5152	24.9012	122.6506	91.0099	64.0777
betaMCA	671.2274	569.0476	626.9006	1024.5059	568.5786	387.8788	495.6522	1096.3855	812.6733	710.6796
betaUDCA	0.8330	0.7690	0.8819	1.9091	0.3531	0.1085	0.1603	1.5904	1.2261	0.4777
CA	37.9074	12.4048	7.4854	144.9012	8.0499	1.9818	1.5249	237.8313	27.3267	3.9379
CDCA	3.3078	0.7143	2.8538	4.8617	0.6434	0.4091	0.2846	5.3253	0.6250	0.3775
DCA	185.6740	219.2857	200.0000	296.4427	196.0100	99.3939	113.8340	286.7470	266.1386	205.5146
GCA				0.3107				0.4265		
GDCA		0.3810	0.4234	0.4150				0.4024	0.4444	0.4054
HDCA	3.3803	12.1667	3.8596	6.5929	6.2244	5.0000	7.4704	15.2048	10.1941	4.1010
isoLCA	3.7666	4.8333	4.3977	3.9605	4.5786	2.3333	3.9605	4.3373	3.8495	4.1476
LCA	34.5272	50.7143	47.4854	50.2767	42.1945	16.8182	32.9644	47.7108	40.6337	46.3689
LCA3S	3.0905	2.5476	3.2982	4.0791	4.4589	3.2424	2.5850	2.5542		2.7728
NorCA	4.1529	24.7619	6.2690	11.3123	25.5561	4.2727	2.4190	27.4699	12.5465	18.8272
NorDCA	1.0093	1.4190	0.8000	1.8925	2.4269	1.5121	0.5099	2.3325	1.0242	2.0691
S12ketoLCA	54.8089	46.9048	40.2339	62.1344	38.3042	27.5152	40.7905	43.8554	58.6931	66.4078
S67diketoLCA				0.4791				0.4482	0.2590	
S712diketoLCA	1.8785	1.0762	1.2842	4.0553	1.3796	1.1000	0.8680	1.5880	1.5588	1.0882
S7ketoLCA	0.9272	0.3762	0.6246	3.0356	0.2050	0.1727	0.1383	1.7590	0.7747	0.2889
TalphaMCA	0.6519	0.2667	0.9099	2.4901	0.3112	0.1936	0.1629	2.3880	0.5370	0.2983
TbetaMCA	12.8451	5.5238	15.0877	41.2648	6.0748	3.2121	3.9605	101.9277	11.2396	7.3398
TCA	1.0769	0.8310	1.6842	2.3953	1.4274	1.3182	0.5858	3.8795	0.9244	0.8132
TCDCA	0.4443	0.3881	3.1345	0.6261	0.5147	0.4333	0.4269	0.5422	0.3208	0.4171
TDCA	1.1421	0.4643	1.5111	4.0791	0.6195	0.5000	0.3320	3.6867	1.2879	0.6641
THCA				0.3747				0.1730		
THDCATUDCA	0.0927	0.0443	0.1836	0.3296	0.0658			0.8627	0.1359	0.0333
TLCA	0.3791		0.3977	0.4150				0.4313		
UCA	1.8857	2.1429	1.4480	3.9368	3.2618	1.6424	1.0387	3.2771	3.2317	2.5631
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
ACA	0					21.6		407.304	
alloLCA	94228					31.1		375.302	
alphaMCA	0					15.6		407.3	
betaMCA	0					16.6		407.302	
betaUDCA	0					20.7		391.311	
CA	0					22.1		407.303	
CDCA	0					27.9		391.301	
DCA	0					28.5		391.3	
GCA	0					15.4		464.281	
GDCA	0					24.1		448.279	
HDCA	0					23.2		391.303	
isoLCA			C17658			31.4		375.288	
LCA	9903		C03990			32.9		375.3	
LCA3S	0					31.7		455.196	
NorCA	0					16		393.211	
NorDCA	0					25.7		377.301	
S12ketoLCA	0					25.7		389.314	
S67diketoLCA	0					25.3		403.3	
S712diketoLCA	0					11.7		403.25	
S7ketoLCA	0					30		389.3	
TalphaMCA	0					5.67		514.311	
TbetaMCA	0					6.02		514.287	
TCA	0					14		514.332	
TCDCA	0					21.7		498.357	
TDCA	0					23.3		498.35	
THCA	0					9.09		514.3	
THDCATUDCA	0					12.9		498.411	
TLCA	0					29.9		482.223	
UCA	0					10.9		407.301	
METABOLITES_END
#END