#METABOLOMICS WORKBENCH hormel101_20161028_121523_mwtab.txt DATATRACK_ID:769 STUDY_ID:ST000507 ANALYSIS_ID:AN000776 PROJECT_ID:PR000371
VERSION             	1
CREATED_ON             	November 29, 2016, 3:20 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolic Dissection of Aberrant Glutamine Metabolism in Prostate Cancer
PR:PROJECT_TYPE                  	MS targeted analysis
PR:PROJECT_SUMMARY               	In this project, we propose to define the specific role(s) of three crucial
PR:PROJECT_SUMMARY               	oncogenic signaling cascades (androgen receptor, Myc and AMPK) in regulating
PR:PROJECT_SUMMARY               	glutamine metabolism in prostate cancer using 13C-labeled glutamine with mass
PR:PROJECT_SUMMARY               	spectrometry-based metabolic flux analyses.
PR:INSTITUTE                     	Mayo Clinic
PR:LABORATORY                    	Mayo Clinic Metabolomics Resource Core
PR:LAST_NAME                     	Frigo
PR:FIRST_NAME                    	Daniel
PR:ADDRESS                       	Department of Biology and Biochemistry, University of Houston, Houston, Texas
PR:ADDRESS                       	77204-5001
PR:EMAIL                         	frigo@uh.edu
PR:PHONE                         	832-842-8824
#STUDY
ST:STUDY_TITLE                   	Timecourse of TCA isotopomers in LNCaP Cells
ST:STUDY_SUMMARY                 	Timecourse of TCA isotopomers in LNCaP Cells
ST:INSTITUTE                     	Mayo Clinic
ST:LABORATORY                    	Mayo Clinic Metabolomics Resource Core
ST:LAST_NAME                     	Frigo
ST:FIRST_NAME                    	Daniel
ST:ADDRESS                       	Department of Biology and Biochemistry, University of Houston, Houston, Texas
ST:ADDRESS                       	77204-5001
ST:EMAIL                         	frigo@uh.edu
ST:PHONE                         	832-842-8824
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	DF-1	Time (incubation):24 hours	Description=LNCaP cell pellet-untreated; Amount=1 15cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-2	Time (incubation):24 hours	Description=LNCaP cell pellet-untreated; Amount=1 15cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-3	Time (incubation):24 hours	Description=LNCaP cell pellet-untreated; Amount=.5 15cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-4	Time (incubation):24 hours	Description=LNCaP cell pellet-untreated; Amount=.5 15cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-5	Time (incubation):24 hours	Description=LNCaP cell pellet-untreated; Amount=1 10cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-6	Time (incubation):24 hours	Description=LNCaP cell pellet-untreated; Amount=1 10cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-7	Time (incubation):24 hours	Description=LNCaP cell pellet-untreated; Amount=.5 10cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-8	Time (incubation):24 hours	Description=LNCaP cell pellet-untreated; Amount=.5 10cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-9	Time (incubation):72 hours	Description=LNCaP cell pellet-untreated; Amount=1 15cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-10	Time (incubation):72 hours	Description=LNCaP cell pellet-untreated; Amount=1 15cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-11	Time (incubation):72 hours	Description=LNCaP cell pellet-untreated; Amount=.5 15cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-12	Time (incubation):72 hours	Description=LNCaP cell pellet-untreated; Amount=.5 15cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-13	Time (incubation):72 hours	Description=LNCaP cell pellet-untreated; Amount=1 10cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-14	Time (incubation):72 hours	Description=LNCaP cell pellet-untreated; Amount=1 10cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-15	Time (incubation):72 hours	Description=LNCaP cell pellet-untreated; Amount=.5 10cm2 dish
SUBJECT_SAMPLE_FACTORS           	-	DF-16	Time (incubation):72 hours	Description=LNCaP cell pellet-untreated; Amount=.5 10cm2 dish
#COLLECTION
CO:COLLECTION_SUMMARY            	LNCaP cell models
#TREATMENT
TR:TREATMENT_SUMMARY             	LNCaP cells that were untreated.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	TCA isotopomers
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	cells incubated in U-13C5-glutamine containing media
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890A
CH:COLUMN_NAME                   	Agilent HP5-MS (30m × 0.25mm, 0.25 um)
#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         	% enrichment
MS_METABOLITE_DATA_START
Samples	DF-1	DF-2	DF-3	DF-4	DF-5	DF-6	DF-7	DF-8	DF-9	DF-10	DF-11	DF-12	DF-13	DF-14	DF-15	DF-16
Factors	Time (incubation):24 hours	Time (incubation):24 hours	Time (incubation):24 hours	Time (incubation):24 hours	Time (incubation):24 hours	Time (incubation):24 hours	Time (incubation):24 hours	Time (incubation):24 hours	Time (incubation):72 hours	Time (incubation):72 hours	Time (incubation):72 hours	Time (incubation):72 hours	Time (incubation):72 hours	Time (incubation):72 hours	Time (incubation):72 hours	Time (incubation):72 hours
Citrate M0	62.22	61.79	62.61	62.54	62.89	63.13	61.55	62.09	55.20	54.75	54.66	55.19	53.60	53.64	54.46	54.44
Citrate M+1	9.02	8.77	8.87	8.58	7.51	7.59	8.18	8.11	15.05	15.21	14.76	15.03	13.95	13.72	13.69	14.26
Citrate M+2	8.93	9.35	9.29	9.56	8.82	8.70	9.28	8.94	11.84	12.37	12.46	12.13	11.92	11.89	12.01	11.57
Citrate M+3	6.75	6.81	6.74	6.62	6.86	6.73	7.16	7.04	7.01	7.02	7.31	6.81	7.31	7.70	7.36	7.32
Citrate M+4	6.59	6.77	6.26	6.31	7.48	7.46	7.58	7.54	5.79	5.68	5.83	5.85	7.41	7.26	7.09	7.09
Citrate M+5	6.41	6.50	6.17	6.32	6.25	6.31	6.11	6.14	5.11	4.95	4.95	5.00	5.76	5.73	5.24	5.24
Citrate M+6	0.09	0.00	0.07	0.06	0.18	0.08	0.14	0.14	0.00	0.01	0.03	0.00	0.04	0.07	0.16	0.09
Citrate M+7	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00
Citrate M+8	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
cis Aconitate M0	61.48	60.37	61.97	62.00	59.44	59.22	56.01	58.74	56.09	56.14	55.15	55.63	53.76	53.03	53.55	52.23
cis Aconitate M+1	8.42	8.57	8.73	9.42	8.59	9.52	11.81	8.07	14.95	14.79	15.18	15.50	14.21	15.30	16.90	19.11
cis Aconitate M+2	11.46	12.31	11.00	10.39	12.44	11.78	12.31	12.81	12.86	12.51	12.80	12.82	12.96	12.08	10.89	9.68
cis Aconitate M+3	5.94	6.04	5.94	5.70	6.08	5.97	6.27	5.66	5.70	5.67	6.71	6.14	7.29	7.52	7.29	7.44
cis Aconitate M+4	7.28	7.07	6.52	6.98	7.65	7.10	7.86	8.08	5.85	6.24	5.82	5.93	6.85	6.64	8.14	6.99
cis Aconitate M+5	5.43	5.57	5.77	5.35	5.78	6.42	5.09	5.75	4.54	4.49	4.28	3.98	4.91	5.24	2.15	3.93
cis Aconitate M+6	0.00	0.00	0.00	0.15	0.01	0.00	0.65	0.89	0.00	0.00	0.00	0.00	0.02	0.00	1.03	0.61
cis Aconitate M+7	0.00	0.07	0.06	0.03	0.00	0.00	0.00	0.00	0.00	0.16	0.04	0.00	0.00	0.19	0.05	0.00
cis Aconitate M+8	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Isocitrate M0	68.29	67.49	66.83	66.77	61.49	61.54	63.93	61.71	63.52	64.44	62.36	62.02	57.46	57.89	57.65	59.35
Isocitrate M+1	3.63	3.93	4.77	4.78	8.37	7.24	3.21	6.60	9.28	9.21	11.09	10.73	13.60	11.99	15.10	9.76
Isocitrate M+2	7.99	8.05	8.66	8.51	9.13	12.86	10.64	8.72	10.63	9.40	8.72	10.13	8.81	10.26	9.35	15.54
Isocitrate M+3	6.24	7.19	7.04	7.56	6.53	4.53	6.45	8.51	6.15	6.89	8.07	7.34	7.87	7.71	6.35	5.03
Isocitrate M+4	6.57	6.28	6.36	6.45	8.04	7.46	9.14	7.37	5.37	5.27	5.57	4.95	7.89	7.26	6.48	5.41
Isocitrate M+5	5.98	5.50	6.14	5.92	5.87	6.37	6.64	6.40	4.67	4.09	4.11	4.62	4.10	4.51	4.63	4.91
Isocitrate M+6	1.09	1.38	0.19	0.01	0.56	0.00	0.00	0.69	0.29	0.60	0.09	0.21	0.07	0.37	0.44	0.00
Isocitrate M+7	0.21	0.19	0.00	0.00	0.00	0.00	0.00	0.00	0.09	0.10	0.00	0.00	0.20	0.00	0.00	0.00
Isocitrate M+8	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
KG M0	46.29	45.84	46.14	49.34	48.51	52.85	52.31	55.34	50.88	50.05	53.77	53.02	50.98	51.17	54.90	50.56
KG M+1	10.13	10.26	10.10	10.29	7.93	5.65	4.42	4.52	13.74	14.47	13.57	13.24	12.51	12.96	13.21	15.54
KG M+2	8.38	9.30	9.42	9.13	7.94	6.31	12.82	6.51	9.32	9.34	8.58	11.07	10.04	7.82	5.64	7.06
KG M+3	11.15	11.73	11.80	10.78	11.35	13.13	8.87	12.59	9.77	9.64	10.50	8.96	11.38	11.57	10.65	9.60
KG M+4	1.88	1.18	1.77	1.81	3.20	1.22	0.00	0.00	1.05	0.84	1.26	0.90	0.00	0.00	0.00	2.29
KG M+5	22.15	21.68	20.76	18.64	21.08	20.84	21.58	21.04	15.08	15.58	12.32	12.80	15.09	15.13	15.59	14.96
KG M+6	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	1.35	0.00	0.00
KG M+6 2	0.02	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.16	0.06	0.00	0.00	0.00	0.00	0.00	0.00
Succinate M0	49.91	49.78	50.72	50.79	48.97	48.70	48.73	48.81	56.22	56.15	55.85	55.56	55.42	55.64	55.59	56.09
Succinate M+1	13.20	13.09	14.23	14.52	13.04	13.11	12.74	13.00	17.85	18.04	17.59	17.82	16.36	16.02	17.18	16.99
Succinate M+2	16.40	16.50	17.54	17.48	18.10	17.95	17.95	17.42	14.62	14.80	15.00	14.92	15.64	15.74	15.92	15.26
Succinate M+3	1.56	1.64	1.57	1.54	1.18	1.24	1.34	1.64	1.41	1.29	1.27	1.43	1.11	1.04	1.03	1.50
Succinate M+4	18.93	18.99	15.80	15.56	18.71	18.85	19.24	19.14	9.90	9.72	10.29	10.26	11.47	11.56	10.28	9.95
Succinate M+5	0.00	0.00	0.14	0.10	0.00	0.15	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.20
Fummarate M0	51.26	51.07	50.59	49.89	56.04	52.69	58.59	57.00	57.39	57.62	61.60	59.58	56.50	58.20	66.06	69.99
Fummarate M+1	11.12	10.96	13.29	12.32	10.50	11.50	9.78	13.90	15.52	15.61	14.67	14.05	14.30	14.68	22.06	7.36
Fummarate M+2	13.84	14.19	15.45	15.38	16.13	17.83	16.26	18.26	12.96	12.62	12.87	13.12	16.37	13.88	11.49	22.15
Fummarate M+3	5.02	5.05	5.90	7.86	0.00	0.00	0.00	0.00	2.48	3.46	2.25	4.43	0.00	0.00	0.00	0.00
Fummarate M+4	17.84	17.75	14.34	14.55	17.34	16.67	15.37	10.83	10.23	9.39	8.10	8.75	12.83	13.23	0.00	0.00
Fummarate M+5	0.92	0.98	0.43	0.00	0.00	1.31	0.00	0.00	1.42	1.30	0.51	0.07	0.00	0.00	0.38	0.50
Malate M0	47.42	47.57	47.90	47.69	45.48	45.62	46.24	45.74	57.34	57.14	56.39	56.70	52.88	51.99	55.00	55.04
Malate M+1	13.07	12.93	14.42	14.87	12.70	12.49	12.71	13.18	17.21	17.41	17.18	17.05	16.15	16.65	17.93	15.51
Malate M+2	14.91	15.04	16.47	16.35	16.97	16.42	16.81	16.85	13.16	13.37	13.39	13.30	14.38	15.45	12.93	16.73
Malate M+3	5.38	5.36	5.34	5.29	4.93	5.44	5.24	5.09	3.11	2.85	3.26	3.13	3.73	3.10	3.89	2.64
Malate M+4	19.21	19.10	15.88	15.79	19.93	20.04	19.00	19.15	9.18	9.24	9.79	9.83	12.85	12.81	10.25	10.09
Malate M+5	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Aspartate M0	50.17	50.54	50.53	50.91	48.39	48.75	49.95	49.95	60.78	60.93	61.84	61.85	57.40	57.31	59.70	57.24
Aspartate M+1	24.45	24.04	26.44	26.59	22.96	22.78	24.98	23.59	38.70	38.86	37.87	37.14	33.90	33.87	37.74	36.12
Aspartate M+2	22.22	21.60	23.86	23.56	23.42	23.12	22.16	23.25	19.54	19.43	18.37	18.49	21.13	21.09	22.19	18.27
Aspartate M+3	10.18	10.16	10.17	10.39	9.85	10.10	8.87	9.98	4.25	4.20	4.30	4.42	4.73	4.17	0.83	4.37
Aspartate M+4	26.43	26.67	23.27	22.68	29.29	28.94	27.38	26.59	11.11	10.94	11.11	11.26	15.73	16.04	13.38	17.22
Aspartate M+5	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
2-hydroxyglutarate M0	39.44	39.18	40.74	40.83	38.54	38.52	39.42	39.08	49.22	49.56	49.20	49.02	44.98	45.20	46.74	46.71
2-hydroxyglutarate M+1	10.74	10.82	11.30	11.30	9.73	9.69	10.39	10.13	14.53	14.42	14.62	14.64	13.64	13.59	14.06	14.13
2-hydroxyglutarate M+2	9.05	9.17	9.82	9.68	8.64	8.52	8.80	8.73	9.21	9.20	9.30	9.53	9.15	9.02	9.06	8.78
2-hydroxyglutarate M+3	12.34	12.39	13.03	12.92	13.17	13.16	13.32	13.41	9.91	9.97	10.23	10.19	11.81	11.78	11.53	11.74
2-hydroxyglutarate M+4	1.44	1.47	1.23	1.32	1.48	1.54	1.38	1.50	0.91	0.85	0.88	0.87	1.03	1.05	1.06	0.87
2-hydroxyglutarate M+5	26.99	26.97	23.88	23.94	28.45	28.57	26.70	27.14	16.22	16.00	15.77	15.75	19.40	19.36	17.55	17.78
Glutamate M0	39.44	39.18	40.74	40.83	38.54	38.52	39.42	39.08	49.22	49.56	49.20	49.02	44.98	45.20	46.74	46.71
Glutamate M+1	10.74	10.82	11.30	11.30	9.73	9.69	10.39	10.13	14.53	14.42	14.62	14.64	13.64	13.59	14.06	14.13
Glutamate M+2	9.05	9.17	9.82	9.68	8.64	8.52	8.80	8.73	9.21	9.20	9.30	9.53	9.15	9.02	9.06	8.78
Glutamate M+3	12.34	12.39	13.03	12.92	13.17	13.16	13.32	13.41	9.91	9.97	10.23	10.19	11.81	11.78	11.53	11.74
Glutamate M+4	1.44	1.47	1.23	1.32	1.48	1.54	1.38	1.50	0.91	0.85	0.88	0.87	1.03	1.05	1.06	0.87
Glutamate M+5	26.99	26.97	23.88	23.94	28.45	28.57	26.70	27.14	16.22	16.00	15.77	15.75	19.40	19.36	17.55	17.78
Glutamine M0	5.80	5.79	6.11	6.09	6.59	6.33	16.64	18.58	9.37	9.35	8.86	8.93	16.44	16.98	28.41	31.87
Glutamine M+1	0.64	0.63	0.86	0.86	1.04	1.16	18.37	19.03	1.57	1.59	1.42	1.41	9.10	11.76	39.15	31.76
Glutamine M+2	0.54	0.54	0.61	0.59	0.40	0.30	0.00	0.00	1.02	0.95	0.95	0.96	0.00	0.00	0.00	0.00
Glutamine M+3	0.88	0.88	0.92	0.96	0.84	0.83	4.14	5.32	1.24	1.24	1.21	1.23	0.00	0.00	0.00	0.00
Glutamine M+4	4.24	4.26	3.83	3.87	3.81	3.97	0.00	0.00	3.65	3.64	3.75	3.73	4.48	5.08	1.59	1.39
Glutamine M+5	86.96	86.89	87.43	87.36	87.07	87.17	60.50	56.71	83.07	83.11	83.57	83.23	69.97	66.18	28.43	34.98
Glutamine M+6	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	2.41	0.00
Glutamine M+7	0.96	1.03	0.24	0.27	0.25	0.22	0.35	0.35	0.09	0.12	0.24	0.51	0.00	0.00	0.00	0.00
Lactate M0	93.49	93.45	93.59	93.60	94.46	94.50	95.29	95.46	93.41	93.50	94.43	93.97	95.91	95.62	95.77	95.81
Lactate M+1	1.94	1.93	2.46	2.43	1.67	1.50	1.63	1.41	2.74	2.61	2.18	2.51	1.46	1.77	1.52	1.41
Lactate M+2	0.47	0.52	0.11	0.25	0.00	0.00	0.00	0.00	0.52	0.55	0.28	0.32	0.00	0.00	0.00	0.00
Lactate M+3	4.10	4.09	3.81	3.66	3.81	3.85	3.06	3.11	3.29	3.33	3.11	3.18	2.51	2.55	2.65	2.70
Lactate M+4	0.00	0.01	0.03	0.06	0.06	0.15	0.00	0.00	0.04	0.01	0.00	0.01	0.11	0.06	0.05	0.09
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Citrate M0
Citrate M+1
Citrate M+2
Citrate M+3
Citrate M+4
Citrate M+5
Citrate M+6
Citrate M+7
Citrate M+8
cis Aconitate M0
cis Aconitate M+1
cis Aconitate M+2
cis Aconitate M+3
cis Aconitate M+4
cis Aconitate M+5
cis Aconitate M+6
cis Aconitate M+7
cis Aconitate M+8
Isocitrate M0
Isocitrate M+1
Isocitrate M+2
Isocitrate M+3
Isocitrate M+4
Isocitrate M+5
Isocitrate M+6
Isocitrate M+7
Isocitrate M+8
KG M0
KG M+1
KG M+2
KG M+3
KG M+4
KG M+5
KG M+6
KG M+6 2
Succinate M0
Succinate M+1
Succinate M+2
Succinate M+3
Succinate M+4
Succinate M+5
Fummarate M0
Fummarate M+1
Fummarate M+2
Fummarate M+3
Fummarate M+4
Fummarate M+5
Malate M0
Malate M+1
Malate M+2
Malate M+3
Malate M+4
Malate M+5
Aspartate M0
Aspartate M+1
Aspartate M+2
Aspartate M+3
Aspartate M+4
Aspartate M+5
2-hydroxyglutarate M0
2-hydroxyglutarate M+1
2-hydroxyglutarate M+2
2-hydroxyglutarate M+3
2-hydroxyglutarate M+4
2-hydroxyglutarate M+5
Glutamate M0
Glutamate M+1
Glutamate M+2
Glutamate M+3
Glutamate M+4
Glutamate M+5
Glutamine M0
Glutamine M+1
Glutamine M+2
Glutamine M+3
Glutamine M+4
Glutamine M+5
Glutamine M+6
Glutamine M+7
Lactate M0
Lactate M+1
Lactate M+2
Lactate M+3
Lactate M+4
METABOLITES_END
#END