#METABOLOMICS WORKBENCH araskind_20160413_085210 DATATRACK_ID:582 STUDY_ID:ST000371 ANALYSIS_ID:AN000605 PROJECT_ID:PR000294
VERSION             	1
CREATED_ON             	April 18, 2016, 5:27 pm
#PROJECT
PR:PROJECT_TITLE                 	Bacterial Regulators of Tumorigenesis
PR:PROJECT_SUMMARY               	identify bacterial products associated with reduced tumorigenesis
PR:INSTITUTE                     	University of Michigan
PR:DEPARTMENT                    	Surgery
PR:LABORATORY                    	Lubman, David Lab
PR:LAST_NAME                     	Lubman
PR:FIRST_NAME                    	David
PR:ADDRESS                       	Ann Arbor, MI
PR:EMAIL                         	dmlubman@umich.edu
PR:PHONE                         	734-647-8834
#STUDY
ST:STUDY_TITLE                   	Colon cancer
ST:STUDY_TYPE                    	Regular
ST:STUDY_SUMMARY                 	There are 4 germfree controls and 4 germfree with bacteria. After treatment, the
ST:STUDY_SUMMARY                 	mouse stool samples were collected at different timepoints: day 0, day 10, day
ST:STUDY_SUMMARY                 	26, day 47, and day 61 or 70. Place the stool samples into liquid nitrogen after
ST:STUDY_SUMMARY                 	they were collected, then stored in -80oC.
ST:INSTITUTE                     	University of Michigan
ST:DEPARTMENT                    	Biomedical Research Core Facilities
ST:LABORATORY                    	Metabolomics core
ST:LAST_NAME                     	Kachman
ST:FIRST_NAME                    	Maureen
ST:ADDRESS                       	6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714
ST:EMAIL                         	mkachman@med.umich.edu
ST:PHONE                         	(734) 232-8175
ST:NUM_GROUPS                    	11
ST:TOTAL_SUBJECTS                	41
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0012170	S00018140	Time (day):- | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012170	S00018141	Time (day):10 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012170	S00018142	Time (day):26 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012170	S00018143	Time (day):47 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012170	S00018144	Time (day):61 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012171	S00018145	Time (day):- | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012171	S00018146	Time (day):10 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012171	S00018147	Time (day):26 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012171	S00018148	Time (day):47 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012171	S00018149	Time (day):61 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012172	S00018150	Time (day):- | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012173	S00018151	Time (day):10 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012173	S00018152	Time (day):26 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012173	S00018153	Time (day):47 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012173	S00018154	Time (day):61 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012174	S00018155	Time (day):- | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012174	S00018156	Time (day):10 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012174	S00018157	Time (day):26 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012174	S00018158	Time (day):47 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012174	S00018159	Time (day):61 | Treatment:GF bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012175	S00018160	Time (day):- | Treatment:none	
SUBJECT_SAMPLE_FACTORS           	SU0012176	S00018161	Time (day):10 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012176	S00018162	Time (day):26 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012176	S00018163	Time (day):47 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012176	S00018164	Time (day):70 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012175	S00018165	Time (day):- | Treatment:none	
SUBJECT_SAMPLE_FACTORS           	SU0012177	S00018166	Time (day):10 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012177	S00018167	Time (day):26 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012177	S00018168	Time (day):47 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012177	S00018169	Time (day):70 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012175	S00018170	Time (day):- | Treatment:none	
SUBJECT_SAMPLE_FACTORS           	SU0012178	S00018171	Time (day):10 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012178	S00018172	Time (day):26 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012178	S00018173	Time (day):47 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012178	S00018174	Time (day):70 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012179	S00018175	Time (day):- | Treatment:none	
SUBJECT_SAMPLE_FACTORS           	SU0012180	S00018176	Time (day):10 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012180	S00018177	Time (day):26 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012180	S00018178	Time (day):47 | Treatment:GF no bacteria	
SUBJECT_SAMPLE_FACTORS           	SU0012180	S00018179	Time (day):70 | Treatment:GF no bacteria	
#COLLECTION
CO:COLLECTION_SUMMARY            	None
CO:SAMPLE_TYPE                   	Pooled sample
#TREATMENT
TR:TREATMENT_SUMMARY             	none
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	none
SP:SAMPLEPREP_PROTOCOL_FILENAME  	ShortChainFattyAcids-20150305.docx
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890A
CH:COLUMN_NAME                   	Phenomenex Zebron ZB-WAXplus (30m x 0.25mm, 0.25um)
CH:COLUMN_TEMPERATURE            	WAXPLUS_100-200C_2_SIM.M.zip
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 5975C
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	nmol/mg sample
MS_METABOLITE_DATA_START
Samples	S00018140	S00018141	S00018142	S00018143	S00018144	S00018145	S00018146	S00018147	S00018148	S00018149	S00018150	S00018151	S00018152	S00018153	S00018154	S00018155	S00018156	S00018157	S00018158	S00018159	S00018160	S00018161	S00018162	S00018163	S00018164	S00018165	S00018166	S00018167	S00018168	S00018169	S00018170	S00018171	S00018172	S00018173	S00018174	S00018175	S00018176	S00018177	S00018178	S00018179
Factors	Time (day):- | Treatment:GF bacteria	Time (day):10 | Treatment:GF bacteria	Time (day):26 | Treatment:GF bacteria	Time (day):47 | Treatment:GF bacteria	Time (day):61 | Treatment:GF bacteria	Time (day):- | Treatment:GF bacteria	Time (day):10 | Treatment:GF bacteria	Time (day):26 | Treatment:GF bacteria	Time (day):47 | Treatment:GF bacteria	Time (day):61 | Treatment:GF bacteria	Time (day):- | Treatment:GF bacteria	Time (day):10 | Treatment:GF bacteria	Time (day):26 | Treatment:GF bacteria	Time (day):47 | Treatment:GF bacteria	Time (day):61 | Treatment:GF bacteria	Time (day):- | Treatment:GF bacteria	Time (day):10 | Treatment:GF bacteria	Time (day):26 | Treatment:GF bacteria	Time (day):47 | Treatment:GF bacteria	Time (day):61 | Treatment:GF bacteria	Time (day):- | Treatment:none	Time (day):10 | Treatment:GF no bacteria	Time (day):26 | Treatment:GF no bacteria	Time (day):47 | Treatment:GF no bacteria	Time (day):70 | Treatment:GF no bacteria	Time (day):- | Treatment:none	Time (day):10 | Treatment:GF no bacteria	Time (day):26 | Treatment:GF no bacteria	Time (day):47 | Treatment:GF no bacteria	Time (day):70 | Treatment:GF no bacteria	Time (day):- | Treatment:none	Time (day):10 | Treatment:GF no bacteria	Time (day):26 | Treatment:GF no bacteria	Time (day):47 | Treatment:GF no bacteria	Time (day):70 | Treatment:GF no bacteria	Time (day):- | Treatment:none	Time (day):10 | Treatment:GF no bacteria	Time (day):26 | Treatment:GF no bacteria	Time (day):47 | Treatment:GF no bacteria	Time (day):70 | Treatment:GF no bacteria
acetic acid	5.67	3.93	4.72	4.71	6.57	4.55	3.88	3.40	3.46	5.68	5.26	3.90	4.33	4.04	4.90	5.24	3.37	4.19	4.53	6.11	1.87	2.07	2.21	1.90	1.96	1.98	1.92	1.85	1.93	1.85	1.73	1.84	2.00	2.07	1.85	1.80	1.80	1.80	1.92	1.73
propionic acid	7.51	5.83	6.70	6.42	8.31	6.21	5.97	5.69	5.79	7.39	7.00	6.05	6.44	6.37	6.62	6.97	5.96	6.62	6.79	8.15	4.47	4.65	4.79	4.60	4.55	4.76	4.81	4.63	4.66	4.58	4.49	4.52	4.67	4.90	4.63	4.55	4.61	4.64	4.64	4.48
iso-butyric acid	4.56	4.49	4.46	4.57	4.57	4.33	4.52	4.60	4.44	4.58	4.62	4.75	4.93	4.62	4.89	4.47	4.67	4.89	4.64	4.67	4.07	4.11	4.10	4.09	4.08	4.10	4.09	4.08	4.07	4.07		4.07		4.10	4.09	4.07	4.08	4.07		4.07
butyric acid	2.42	2.40	2.38	2.36	2.60	2.34	2.43	2.34	2.39	2.55	2.40	2.41	2.36	2.47	2.44	2.42	2.36	2.35	2.73	2.67	2.25	2.26	2.27	2.25	2.26	2.26	2.26	2.25	2.26	2.26	2.25	2.21	2.27	2.26	2.26	2.25	2.25	2.25	2.26	2.25
isovaleric acid	2.42	2.40	2.38	2.36	2.60	2.34	2.43	2.34	2.39	2.55	2.40	2.41	2.36	2.47	2.44	2.42	2.36	2.35	2.73	2.67	2.25	2.26	2.27	2.25	2.26	2.26	2.26	2.25	2.26	2.26	2.25	2.21	2.27	2.26	2.26	2.25	2.25	2.25	2.26	2.25
valeric acid	2.05	2.01	2.03	2.03	2.03	2.00	1.99	2.01	1.99	2.03	2.03	2.02	2.08	2.01	2.05	2.05	2.02	2.04	2.00	2.03	1.93	1.93	1.93	1.93	1.93	1.93	1.93	1.93	1.94	1.93	1.93	1.93	1.93	1.94	1.93	1.93	1.93	1.93	1.95	1.93
hexanoic acid	3.00	3.00	3.00	3.01	3.01	3.00	3.00	3.00	3.00	3.01	3.00	3.00	3.00	3.00	3.00	3.00	3.00	3.00	3.01	3.02	2.99	2.99	3.00	3.00	2.99	3.00	3.00	2.99	2.99	2.99	2.99	2.99	3.00	2.99	2.99	2.99	2.99	2.99	2.99	2.99
heptanoic acid	3.09	3.15	3.19	3.24	3.14	3.13	3.12	3.12	3.15	3.10	3.15	3.11	3.11	3.13	3.11	3.13	3.13	3.10	3.13	3.10	3.11	3.18	3.14	3.10	3.14	3.11	3.11	3.09	3.10	3.11	3.11	3.11	3.12	3.12	3.10	3.13	3.14	3.14	3.11	3.12
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID
acetic acid			176
propionic acid			1032
iso-butyric acid			6590
butyric acid			20975673
isovaleric acid			10430
valeric acid			7991
hexanoic acid			8892
heptanoic acid			8094
METABOLITES_END
#END