#METABOLOMICS WORKBENCH hormel101_20161021_141116_mwtab.txt DATATRACK_ID:763 STUDY_ID:ST000504 ANALYSIS_ID:AN000773 PROJECT_ID:PR000371
VERSION             	1
CREATED_ON             	November 29, 2016, 2:54 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 and Media
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           	-	Media # 5	Treatment Factor:media	assay=13C labels in TCA cycle flux metabolites by mass isotopomer approach
SUBJECT_SAMPLE_FACTORS           	-	Media # 6	Treatment Factor:media	assay=13C labels in TCA cycle flux metabolites by mass isotopomer approach
SUBJECT_SAMPLE_FACTORS           	-	Media # 7	Treatment Factor:media	assay=13C labels in TCA cycle flux metabolites by mass isotopomer approach
SUBJECT_SAMPLE_FACTORS           	-	Media # 12	Treatment Factor:media	assay=13C labels in TCA cycle flux metabolites by mass isotopomer approach
SUBJECT_SAMPLE_FACTORS           	-	Media # 13	Treatment Factor:media	assay=13C labels in TCA cycle flux metabolites by mass isotopomer approach
SUBJECT_SAMPLE_FACTORS           	-	Media # 14	Treatment Factor:media	assay=13C labels in TCA cycle flux metabolites by mass isotopomer approach
SUBJECT_SAMPLE_FACTORS           	-	Cells # 5	Treatment Factor:cells	assay=13C labels in TCA cycle flux metabolites by mass isotopomer approach
SUBJECT_SAMPLE_FACTORS           	-	Cells # 6	Treatment Factor:cells	assay=13C labels in TCA cycle flux metabolites by mass isotopomer approach
SUBJECT_SAMPLE_FACTORS           	-	Cells # 7	Treatment Factor:cells	assay=13C labels in TCA cycle flux metabolites by mass isotopomer approach
SUBJECT_SAMPLE_FACTORS           	-	Cells # 12	Treatment Factor:cells	assay=13C labels in TCA cycle flux metabolites by mass isotopomer approach
SUBJECT_SAMPLE_FACTORS           	-	Cells # 13	Treatment Factor:cells	assay=13C labels in TCA cycle flux metabolites by mass isotopomer approach
SUBJECT_SAMPLE_FACTORS           	-	Cells # 14	Treatment Factor:cells	assay=13C labels in TCA cycle flux metabolites by mass isotopomer approach
#COLLECTION
CO:COLLECTION_SUMMARY            	LNCaP cells and LNCaP media
#TREATMENT
TR:TREATMENT_SUMMARY             	LNCaP cells that were serum starved and incubated with 2mM [U-13C]glutamine and
TR:TREATMENT_SUMMARY             	treated with dose response of a synthetic androgen (R1881) for 24 or 72 hours.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	TCA isotopomers
#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	Media # 5	Media # 6	Media # 7	Media # 12	Media # 13	Media # 14	Cells # 5	Cells # 6	Cells # 7	Cells # 12	Cells # 13	Cells # 14
Factors	Treatment Factor:media	Treatment Factor:media	Treatment Factor:media	Treatment Factor:media	Treatment Factor:media	Treatment Factor:media	Treatment Factor:cells	Treatment Factor:cells	Treatment Factor:cells	Treatment Factor:cells	Treatment Factor:cells	Treatment Factor:cells
Citrate istopomer M0	53.87	51.45	49.73	54.72	58.76	57.32	63.94	63.09	60.53	64.37	65.65	64.15
Citrate istopomer M+1	7.69	8.81	9.09	10.95	11.62	11.33	8.03	8.31	8.44	11.74	12.01	11.61
Citrate istopomer M+2	9.74	10.56	10.91	10.62	10.12	10.61	8.84	9.27	9.76	9.28	9.13	9.65
Citrate istopomer M+3	8.45	9.49	9.92	7.98	7.19	7.39	6.43	6.82	7.35	5.58	5.13	5.53
Citrate istopomer M+4	10.44	9.25	9.65	8.52	6.54	7.55	7.34	6.86	7.82	5.19	4.69	5.61
Citrate istopomer M+5	9.79	10.42	10.64	7.19	5.73	5.79	5.38	5.64	6.07	3.82	3.37	3.42
Citrate istopomer M+6	0.01	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Citrate istopomer M+7	0.01	0.03	0.05	0.03	0.04	0.01	0.03	0.02	0.03	0.02	0.03	0.03
Citrate istopomer 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
cis-Aconitate istopomer M0	74.05	58.34	50.63	54.36	57.33	56.36	64.93	63.18	61.05	65.46	66.39	64.86
cis-Aconitate istopomer M+1	6.22	8.49	9.26	11.55	12.26	11.81	8.37	9.04	9.17	12.06	12.29	11.93
cis-Aconitate istopomer M+2	7.96	14.94	17.02	12.57	11.80	11.62	8.59	8.92	9.35	8.42	8.14	8.90
cis-Aconitate istopomer M+3	0.00	0.00	4.26	5.03	5.67	6.12	5.90	6.53	6.88	5.41	4.98	5.16
cis-Aconitate istopomer M+4	4.06	8.18	8.78	8.93	6.24	6.74	7.29	6.95	7.89	5.09	5.03	5.91
cis-Aconitate istopomer M+5	6.96	9.49	9.05	7.44	6.52	7.12	4.81	5.28	5.60	3.47	3.15	3.20
cis-Aconitate istopomer M+6	0.37	0.00	0.00	0.08	0.12	0.05	0.07	0.07	0.08	0.03	0.00	0.00
cis-Aconitate istopomer M+7	0.39	0.55	1.01	0.03	0.06	0.16	0.04	0.02	0.00	0.05	0.01	0.06
cis-Aconitate istopomer 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
isoCitrate istopomer M0	85.48	63.60	54.63	52.11	53.85	52.73	63.26	61.66	59.30	63.65	64.85	63.31
isoCitrate istopomer M+1	3.20	3.34	5.46	11.08	12.55	12.27	9.13	9.48	9.62	13.31	12.64	12.38
isoCitrate istopomer M+2	3.09	5.98	7.81	10.03	10.31	10.39	9.06	9.26	9.98	8.77	9.02	9.66
isoCitrate istopomer M+3	1.79	6.55	13.41	9.04	7.07	8.63	6.21	6.78	7.21	5.85	5.14	5.25
isoCitrate istopomer M+4	3.61	8.51	2.32	6.94	6.37	5.28	6.73	6.88	7.76	4.53	4.82	5.58
isoCitrate istopomer M+5	2.38	10.79	13.90	10.64	9.86	10.57	5.23	5.51	5.85	3.61	3.35	3.45
isoCitrate istopomer M+6	0.00	0.00	1.46	0.00	0.00	0.00	0.37	0.42	0.26	0.27	0.15	0.37
isoCitrate istopomer M+7	0.46	1.23	1.01	0.16	0.00	0.13	0.00	0.00	0.02	0.00	0.04	0.00
isoCitrate istopomer 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
a-Ketoglutarate istopomer M0	44.39	44.29	43.78	42.78	50.46	49.48	50.00	49.10	48.82	36.80	59.14	57.28
a-Ketoglutarate istopomer M+1	7.06	6.34	6.38	9.81	11.06	10.66	9.47	9.12	9.68	8.57	12.18	12.51
a-Ketoglutarate istopomer M+2	5.41	6.37	6.26	7.28	7.73	7.72	7.20	8.32	8.22	5.03	7.24	7.24
a-Ketoglutarate istopomer M+3	10.58	10.31	10.27	11.55	10.51	10.89	11.27	11.26	12.57	5.20	8.11	8.90
a-Ketoglutarate istopomer M+4	1.31	1.48	1.53	1.40	0.95	0.97	0.75	1.02	0.84	0.92	0.28	0.39
a-Ketoglutarate istopomer M+5	29.58	30.30	30.90	26.05	18.98	19.94	20.07	19.74	19.17	33.53	11.78	12.36
a-Ketoglutarate istopomer M+6	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	1.65	0.00	0.00
a-Ketoglutarate istopomer M+7	1.66	0.91	0.89	1.13	0.31	0.33	1.24	1.43	0.70	8.30	1.26	1.32
Succinate istopomer M0	46.80	44.47	34.98	42.34	46.44	45.74	58.13	56.20	53.83	66.72	65.97	64.39
Succinate istopomer M+1	10.32	13.71	30.60	22.84	22.98	21.68	13.36	13.73	13.74	14.67	14.57	14.56
Succinate istopomer M+2	12.25	12.71	9.22	12.22	11.97	12.32	16.19	16.94	18.00	11.98	11.43	12.21
Succinate istopomer M+3	1.11	1.41	1.30	0.96	0.82	0.87	0.74	0.80	0.83	0.52	0.41	0.39
Succinate istopomer M+4	29.52	27.70	23.89	21.65	17.79	19.39	11.57	12.33	13.61	6.12	7.62	8.45
Succinate istopomer 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
Fumarate istopomer M0	90.67	89.61	76.36	74.45	74.65	72.90	59.96	58.14	54.82	68.38	68.45	67.71
Fumarate istopomer M+1	0.00	0.00	0.00	0.00	0.40	0.00	12.67	13.08	12.50	12.78	12.67	12.31
Fumarate istopomer M+2	3.37	4.19	6.29	7.99	9.21	8.48	14.86	15.19	15.54	12.94	10.75	10.92
Fumarate istopomer M+3	1.35	1.26	2.47	4.33	4.44	7.17	2.09	3.46	3.85	0.53	2.57	3.17
Fumarate istopomer M+4	4.44	4.94	14.62	13.23	11.30	11.44	10.42	10.13	13.29	5.36	5.57	5.90
Fumarate istopomer M+5	0.17	0.01	0.26	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Malate istopomer M0	56.95	56.82	55.95	55.09	58.82	58.59	56.88	55.41	53.42	66.92	67.75	66.62
Malate istopomer M+1	6.08	6.85	6.75	9.09	9.64	9.01	13.27	13.51	13.42	13.98	13.42	13.43
Malate istopomer M+2	9.50	10.11	10.40	11.18	10.87	10.80	14.78	15.44	16.04	10.64	9.99	10.58
Malate istopomer M+3	6.82	8.26	8.36	6.37	6.69	7.79	2.91	3.32	3.63	2.00	1.75	1.96
Malate istopomer M+4	20.66	17.97	18.53	18.26	13.97	13.82	12.16	12.32	13.49	6.46	7.10	7.40
Malate istopomer 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
Alanine istopomer M0	95.44	95.48	95.46	96.29	97.05	97.50	95.14	94.85	94.57	96.94	97.13	97.48
Alanine istopomer M+1	1.56	1.58	1.60	1.61	1.36	1.18	2.20	2.22	2.49	1.37	1.45	1.26
Alanine istopomer M+2	2.98	2.92	2.93	2.08	1.58	1.31	2.63	2.90	2.91	1.69	1.41	1.24
Alanine istopomer M+3	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Alanine istopomer M+4	0.02	0.01	0.01	0.01	0.01	0.01	0.02	0.03	0.03	0.00	0.01	0.02
Lactate istopomer M0	96.47	96.23	96.46	96.93	97.52	97.91	92.47	92.54	92.69	96.93	96.48	97.47
Lactate istopomer M+1	0.95	1.13	1.04	1.19	1.08	0.87	3.14	2.95	3.05	1.27	1.82	1.29
Lactate istopomer M+2	0.60	0.76	0.71	0.53	0.53	0.46	1.68	1.82	1.69	0.83	0.72	0.55
Lactate istopomer M+3	1.96	1.85	1.77	1.31	0.82	0.71	2.70	2.66	2.55	0.92	0.92	0.63
Lactate istopomer M+4	0.02	0.01	0.02	0.03	0.05	0.05	0.00	0.00	0.00	0.03	0.03	0.04
Aspartate istopomer M0	98.06	98.62	98.63	97.29	97.97	98.17	47.76	47.12	49.01	66.10	64.01	69.00
Aspartate istopomer M+1	0.64	0.63	0.63	0.87	0.83	0.66	10.07	10.35	10.86	11.30	11.70	11.44
Aspartate istopomer M+2	0.52	0.45	0.43	0.73	0.62	0.59	11.26	11.72	12.81	8.91	8.60	9.05
Aspartate istopomer M+3	0.12	0.00	0.00	0.20	0.11	0.14	20.98	20.45	15.55	7.56	9.27	3.86
Aspartate istopomer M+4	0.66	0.31	0.30	0.90	0.46	0.45	9.93	10.36	11.77	6.12	6.42	6.65
Aspartate istopomer 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
2-hydroxyglutarate istopomer M0	64.38	63.65	62.45	49.32	51.44	48.51	46.34	42.86	41.42	57.79	59.35	56.62
2-hydroxyglutarate istopomer M+1	9.41	10.58	13.87	9.18	11.74	11.22	9.07	8.90	7.90	11.47	11.11	10.78
2-hydroxyglutarate istopomer M+2	0.00	0.00	0.00	6.30	5.59	5.50	5.87	7.04	7.15	6.71	6.21	6.49
2-hydroxyglutarate istopomer M+3	5.75	5.51	5.16	10.77	9.97	10.65	11.97	11.98	12.31	9.22	8.36	9.13
2-hydroxyglutarate istopomer M+4	0.87	0.65	0.61	1.09	0.77	1.23	1.17	1.39	1.44	0.67	0.70	0.81
2-hydroxyglutarate istopomer M+5	19.44	19.32	17.80	23.22	20.26	22.67	25.48	27.69	29.61	14.06	14.20	16.14
2-hydroxyglutarate istopomer 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
Glutamate istopomer M0	44.63	44.17	43.92	43.36	50.37	49.81	49.60	48.01	46.46	59.83	60.66	58.95
Glutamate istopomer M+1	5.58	5.62	5.41	9.61	11.26	10.87	10.09	10.19	9.86	12.06	12.26	12.15
Glutamate istopomer M+2	5.26	5.91	5.74	7.18	7.75	7.72	7.64	8.40	8.46	6.89	6.83	7.07
Glutamate istopomer M+3	11.04	10.60	10.55	12.19	10.72	11.03	12.32	12.25	13.07	8.90	8.17	8.80
Glutamate istopomer M+4	1.31	1.38	1.41	1.16	0.80	0.80	0.92	0.99	1.01	0.71	0.51	0.51
Glutamate istopomer M+5	32.18	32.33	32.98	26.50	19.09	19.77	19.44	20.17	21.14	11.61	11.57	12.52
Glutamate istopomer 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
Glutamine istopomer M0	2.36	2.31	2.20	15.41	13.67	25.62	12.01	10.70	9.75	49.70	21.81	30.62
Glutamine istopomer M+1	0.27	0.22	0.29	2.33	2.04	4.36	1.12	1.02	1.54	5.31	3.21	5.11
Glutamine istopomer M+2	0.20	0.20	0.22	1.50	1.38	3.23	0.81	0.45	0.92	12.89	1.99	3.69
Glutamine istopomer M+3	0.57	0.54	0.60	2.36	2.05	4.69	1.49	1.38	1.65	8.52	2.76	5.21
Glutamine istopomer M+4	4.03	4.08	4.10	3.32	3.44	2.67	3.70	3.82	3.78	1.29	3.07	2.41
Glutamine istopomer M+5	92.46	92.31	92.45	75.01	77.36	59.31	80.52	82.50	81.84	22.29	66.89	52.77
Glutamine istopomer 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
Proline istopomer M0	98.88	98.24	98.41	95.02	93.22	93.53	88.96	87.88	88.75	88.94	89.51	92.78
Proline istopomer M+1	0.22	0.33	0.31	1.25	1.77	1.52	1.36	1.46	1.59	2.12	2.69	1.48
Proline istopomer M+2	0.22	0.39	0.34	1.42	1.95	1.86	2.10	2.75	3.03	2.67	3.06	2.18
Proline istopomer M+3	0.00	0.00	0.00	0.03	0.06	0.05	0.16	0.11	0.06	0.25	0.10	0.08
Proline istopomer M+4	0.46	0.82	0.73	2.15	2.89	2.95	3.48	5.16	5.54	3.61	4.12	3.36
Proline istopomer M+5	0.13	0.12	0.11	0.06	0.04	0.02	0.00	0.00	0.00	0.00	0.03	0.00
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Citrate istopomer M0
Citrate istopomer M+1
Citrate istopomer M+2
Citrate istopomer M+3
Citrate istopomer M+4
Citrate istopomer M+5
Citrate istopomer M+6
Citrate istopomer M+7
Citrate istopomer M+8
cis-Aconitate istopomer M0
cis-Aconitate istopomer M+1
cis-Aconitate istopomer M+2
cis-Aconitate istopomer M+3
cis-Aconitate istopomer M+4
cis-Aconitate istopomer M+5
cis-Aconitate istopomer M+6
cis-Aconitate istopomer M+7
cis-Aconitate istopomer M+8
isoCitrate istopomer M0
isoCitrate istopomer M+1
isoCitrate istopomer M+2
isoCitrate istopomer M+3
isoCitrate istopomer M+4
isoCitrate istopomer M+5
isoCitrate istopomer M+6
isoCitrate istopomer M+7
isoCitrate istopomer M+8
a-Ketoglutarate istopomer M0
a-Ketoglutarate istopomer M+1
a-Ketoglutarate istopomer M+2
a-Ketoglutarate istopomer M+3
a-Ketoglutarate istopomer M+4
a-Ketoglutarate istopomer M+5
a-Ketoglutarate istopomer M+6
a-Ketoglutarate istopomer M+7
Succinate istopomer M0
Succinate istopomer M+1
Succinate istopomer M+2
Succinate istopomer M+3
Succinate istopomer M+4
Succinate istopomer M+5
Fumarate istopomer M0
Fumarate istopomer M+1
Fumarate istopomer M+2
Fumarate istopomer M+3
Fumarate istopomer M+4
Fumarate istopomer M+5
Malate istopomer M0
Malate istopomer M+1
Malate istopomer M+2
Malate istopomer M+3
Malate istopomer M+4
Malate istopomer M+5
Alanine istopomer M0
Alanine istopomer M+1
Alanine istopomer M+2
Alanine istopomer M+3
Alanine istopomer M+4
Lactate istopomer M0
Lactate istopomer M+1
Lactate istopomer M+2
Lactate istopomer M+3
Lactate istopomer M+4
Aspartate istopomer M0
Aspartate istopomer M+1
Aspartate istopomer M+2
Aspartate istopomer M+3
Aspartate istopomer M+4
Aspartate istopomer M+5
2-hydroxyglutarate istopomer M0
2-hydroxyglutarate istopomer M+1
2-hydroxyglutarate istopomer M+2
2-hydroxyglutarate istopomer M+3
2-hydroxyglutarate istopomer M+4
2-hydroxyglutarate istopomer M+5
2-hydroxyglutarate istopomer M+6
Glutamate istopomer M0
Glutamate istopomer M+1
Glutamate istopomer M+2
Glutamate istopomer M+3
Glutamate istopomer M+4
Glutamate istopomer M+5
Glutamate istopomer M+6
Glutamine istopomer M0
Glutamine istopomer M+1
Glutamine istopomer M+2
Glutamine istopomer M+3
Glutamine istopomer M+4
Glutamine istopomer M+5
Glutamine istopomer M+6
Proline istopomer M0
Proline istopomer M+1
Proline istopomer M+2
Proline istopomer M+3
Proline istopomer M+4
Proline istopomer M+5
METABOLITES_END
#END