#METABOLOMICS WORKBENCH araskind_20160413_113726 DATATRACK_ID:584 STUDY_ID:ST000373 ANALYSIS_ID:AN000607 PROJECT_ID:PR000134
VERSION             	1
CREATED_ON             	April 18, 2016, 8:39 pm
#PROJECT
PR:PROJECT_TITLE                 	Fly Brain Studies
PR:PROJECT_SUMMARY               	Measure change in metabolites according to diet and feeding state
PR:INSTITUTE                     	University of Michigan
PR:DEPARTMENT                    	MCDB LS&A
PR:LABORATORY                    	Dus Lab
PR:LAST_NAME                     	Dus
PR:FIRST_NAME                    	Monica
PR:ADDRESS                       	Ann Arbor, MI
PR:EMAIL                         	mdus@umich.edu
PR:PHONE                         	347-891-2287
#STUDY
ST:STUDY_TITLE                   	Measure change in metabolites based on diet and feeding status (part II)
ST:STUDY_TYPE                    	Regular
ST:STUDY_SUMMARY                 	Flies were fed a normal diet or high-sugar (30% sucrose) diet for 10 days. Flies
ST:STUDY_SUMMARY                 	of each diet were flash frozen in liquid nitrogen as sated (refed for 3hrs on
ST:STUDY_SUMMARY                 	400mM D-glucose) or after fasting for 24hrs. Heads and bodies were separated
ST:STUDY_SUMMARY                 	using a sieve-system and placed immediately on dry ice (total time app. 1min).
ST:STUDY_SUMMARY                 	We collected 50 heads per condition (4 conditions total) and 5 biological
ST:STUDY_SUMMARY                 	replicates
ST:INSTITUTE                     	University of Michigan
ST:DEPARTMENT                    	Biomedical Research Core
ST:LABORATORY                    	Facilities Metabolomics core
ST:LAST_NAME                     	Kachman
ST:FIRST_NAME                    	Maureen
ST:ADDRESS                       	Ann Arbor, MI
ST:EMAIL                         	mkachman@med.umich.edu
ST:PHONE                         	(734) 232-8175
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	18
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Drosophila melanogaster
SU:TAXONOMY_ID                   	7227
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0012355	S00018443	State:sated | Diet:high sugar	
SUBJECT_SAMPLE_FACTORS           	SU0012355	S00018444	State:sated | Diet:high sugar	
SUBJECT_SAMPLE_FACTORS           	SU0012355	S00018445	State:sated | Diet:high sugar	
SUBJECT_SAMPLE_FACTORS           	SU0012355	S00018446	State:sated | Diet:high sugar	
SUBJECT_SAMPLE_FACTORS           	SU0012355	S00018447	State:sated | Diet:high sugar	
SUBJECT_SAMPLE_FACTORS           	SU0012356	S00018448	State:sated | Diet:normal	
SUBJECT_SAMPLE_FACTORS           	SU0012356	S00018449	State:sated | Diet:normal	
SUBJECT_SAMPLE_FACTORS           	SU0012356	S00018450	State:sated | Diet:normal	
SUBJECT_SAMPLE_FACTORS           	SU0012356	S00018451	State:sated | Diet:normal	
SUBJECT_SAMPLE_FACTORS           	SU0012357	S00018452	State:starved | Diet:normal	
SUBJECT_SAMPLE_FACTORS           	SU0012357	S00018453	State:starved | Diet:normal	
SUBJECT_SAMPLE_FACTORS           	SU0012357	S00018454	State:starved | Diet:normal	
SUBJECT_SAMPLE_FACTORS           	SU0012357	S00018455	State:starved | Diet:normal	
SUBJECT_SAMPLE_FACTORS           	SU0012357	S00018456	State:starved | Diet:normal	
SUBJECT_SAMPLE_FACTORS           	SU0012358	S00018457	State:starved | Diet:high sugar	
SUBJECT_SAMPLE_FACTORS           	SU0012358	S00018458	State:starved | Diet:high sugar	
SUBJECT_SAMPLE_FACTORS           	SU0012358	S00018459	State:starved | Diet:high sugar	
SUBJECT_SAMPLE_FACTORS           	SU0012358	S00018460	State:starved | Diet:high sugar	
#COLLECTION
CO:COLLECTION_SUMMARY            	NONE
CO:SAMPLE_TYPE                   	Tissues
#TREATMENT
TR:TREATMENT_SUMMARY             	None
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	none
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Glycolysis-TCA-nucleotides-20150324.docx
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	None
CH:INSTRUMENT_NAME               	Unspecified
CH:COLUMN_NAME                   	Phenomenex Luna NH2 (150 x 1mm, 3um)
CH:METHODS_FILENAME              	GlyTCA-ESN-HILIC-6490.m.zip
CH:METHODS_ID                    	DQM0108
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 6410A QQQ
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	pmol/µg tissue protein
MS_METABOLITE_DATA_START
Samples	S00018443	S00018444	S00018445	S00018446	S00018447	S00018457	S00018458	S00018459	S00018460	S00018448	S00018449	S00018450	S00018451	S00018452	S00018453	S00018454	S00018455	S00018456
Factors	State:sated | Diet:high sugar	State:sated | Diet:high sugar	State:sated | Diet:high sugar	State:sated | Diet:high sugar	State:sated | Diet:high sugar	State:starved | Diet:high sugar	State:starved | Diet:high sugar	State:starved | Diet:high sugar	State:starved | Diet:high sugar	State:sated | Diet:normal	State:sated | Diet:normal	State:sated | Diet:normal	State:sated | Diet:normal	State:starved | Diet:normal	State:starved | Diet:normal	State:starved | Diet:normal	State:starved | Diet:normal	State:starved | Diet:normal
2 or 3-phosphoglycerate	11.70	7.74	17.53	7.92	8.44	1.52	1.45	1.47	1.81	1.09	1.05	2.10	1.01	1.99	2.44	1.09	0.95	3.67
6-phosphogluconate	10.86	3.61	4.55	3.29	4.09	9.42	5.86	9.16	8.04	3.25	4.72	4.82	4.01	4.80	3.18	4.31	3.38	3.56
acetyl-coa																		
adenosine diphosphate	25.60	11.98	20.48	12.92	11.97	19.18	15.86	18.13	17.70	11.41	14.16	12.06	14.56	15.19	13.76	13.93	10.25	15.69
adenosine monophosphate	78.40	66.30	162.39	71.34	61.25	130.49	136.52	113.90	72.97	86.41	140.52	98.36	158.34	99.36	96.04	160.87	74.79	109.91
adenosine triphosphate	9.78	3.15	5.01	3.47	3.90	6.95	5.00	6.75	6.88	3.04	3.74	3.69	3.39	4.78	3.68	3.91	2.84	4.49
citrate or isocitrate	84.84	80.94	133.93	75.66	64.21	61.54	49.28	52.96	54.03	27.76	49.43	25.70	60.47	17.21	15.77	57.82	16.53	15.82
erythrose 4-phosphate	67.37	54.65	124.40	42.91	55.94	13.01	24.59	15.21	20.83	27.68	32.30	12.52	43.88	91.62	54.75	48.84	44.55	59.06
glucose 6-phosphate or fructose-6-phosphate	73.75	46.75	92.21	32.61	36.04	7.70	5.50	4.06	10.05	9.58	5.62	5.32	11.44	14.44	15.74	8.24	6.85	24.43
flavin adenine dinucleotide	3.09	1.40	2.24	1.24	1.29	2.98	1.97	2.66	2.41	1.41	1.71	1.68	2.42	2.33	1.95	2.20	1.74	1.81
fructose 1,6-bisphosphate	15.85	5.30	7.23	5.03	6.12	12.55	7.87	12.23	10.76	4.37	6.34	6.48	5.36	6.53	4.38	5.82	4.58	5.09
GDP	14.12	4.98	6.48	4.60	5.64	12.21	7.81	11.81	10.63	4.52	6.30	6.41	5.43	6.44	4.44	5.86	4.54	5.11
GMP	23.37	12.99	19.58	10.69	11.56	21.95	15.61	16.67	16.96	14.11	16.12	17.84	20.04	16.97	15.43	15.08	13.05	15.93
GTP		3.34	4.33	3.14	4.20	8.88	5.83	8.53	7.44	3.01	4.55	4.48	3.72	4.45	2.95	4.25	3.22	3.51
malate	125.31	76.25	67.68	46.33	56.45	35.84	10.99	11.60	8.48	23.66	16.95	9.56	31.86	7.36	7.19	8.72	21.02	5.71
nicotinamide adenine dinucleotide oxidized	20.75	12.74	20.52	11.52	13.25	19.03	12.37	14.95	14.25	18.14	20.99	17.46	27.10	18.83	19.07	16.96	15.59	18.56
nicotinamide adenine dinucleotide reduced	8.21	12.20	21.96	10.94	13.86	20.93	12.28	17.36	13.88	19.93	21.77	18.97	28.83	20.36	20.64	18.16	16.12	21.71
nicotinamide adenine dinucleotide phosphate oxidized	8.33	3.00	4.01	2.75	3.37	7.41	4.71	6.95	6.21	3.58	4.33	4.25	4.32	4.51	3.28	3.72	3.16	3.55
nicotinamide adenine dinucleotide phosphate reduced	10.53	3.86	3.56	3.36	3.12	9.30	4.50	8.64	6.36	8.06	3.86	3.82	5.01	3.72	2.34	5.19	3.21	3.12
phosphoenolpyruvate	2.14	0.80	1.76	0.91	1.02	1.77	1.33	1.57	1.62	0.87	1.10	1.02	1.23	1.17	0.93	0.95	0.79	1.06
ribose-5-phosphate or xylulose 5-phosphate	5.85	2.56	4.68	2.08	2.68	1.12	0.71	0.78	0.76	0.93	0.88	0.69	1.28	1.19	1.23	1.07	0.69	1.54
sedoheptulose 7-phosphate	9.15	8.46	12.24	4.15	6.08	3.46	2.29	2.95	3.02	3.68	1.89	2.44	4.35	3.29	2.85	2.13	1.69	3.94
sucrose	193.50	187.88	233.88	100.90	154.28	127.82	27.98	35.10	40.31	121.69	147.75	56.76	313.32	193.99	205.87	138.04	239.80	194.91
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID
2 or 3-phosphoglycerate			724
6-phosphogluconate			91493
acetyl-coa			444493
adenosine diphosphate			6022
adenosine monophosphate			6083
adenosine triphosphate			5957
citrate or isocitrate			311
erythrose 4-phosphate			122357
flavin adenine dinucleotide			46906035
fructose 1,6-bisphosphate			21125049
glucose 6-phosphate or fructose-6-phosphate			5958
malate			525
nicotinamide adenine dinucleotide oxidized			15938971
nicotinamide adenine dinucleotide reduced			439153
nicotinamide adenine dinucleotide phosphate oxidized			15938972
nicotinamide adenine dinucleotide phosphate reduced			22833512
phosphoenolpyruvate			1005
ribose-5-phosphate or xylulose 5-phosphate			77982
sedoheptulose 7-phosphate			165007
sucrose			5988
GDP
GMP
GTP
METABOLITES_END
#END