#METABOLOMICS WORKBENCH epannkuk_20190227_104940 DATATRACK_ID:1653 STUDY_ID:ST001146 ANALYSIS_ID:AN001891 PROJECT_ID:PR000766
VERSION             	1
CREATED_ON             	March 12, 2019, 10:01 am
#PROJECT
PR:PROJECT_TITLE                 	Nonhuman primate (NHP) radiation metabolomics
PR:PROJECT_SUMMARY               	Here, we use global metabolomics to differentiate temporal effects (1 – 60 d)
PR:PROJECT_SUMMARY               	found in nonhuman primate (NHP) urine small molecule signatures after a 4 Gy
PR:PROJECT_SUMMARY               	total body irradiation.
PR:INSTITUTE                     	Georgetown University
PR:LAST_NAME                     	Pannkuk
PR:FIRST_NAME                    	Evan
PR:ADDRESS                       	3970 Reservoir Rd, NW New Research Build, washington dc, District of Columbia,
PR:ADDRESS                       	20057, USA
PR:EMAIL                         	elp44@georgetown.edu
PR:PHONE                         	2026875650
#STUDY
ST:STUDY_TITLE                   	Global Nonhuman primate (NHP) urine metabolomics
ST:STUDY_TYPE                    	Nonhuman primate metabolomics
ST:STUDY_SUMMARY                 	Here, we use global metabolomics to differentiate temporal effects (1 – 60 d)
ST:STUDY_SUMMARY                 	found in nonhuman primate (NHP) urine small molecule signatures after a 4 Gy
ST:STUDY_SUMMARY                 	total body irradiation.
ST:INSTITUTE                     	Georgetown University
ST:LAST_NAME                     	Pannkuk
ST:FIRST_NAME                    	Evan
ST:ADDRESS                       	3970 Reservoir Rd, NW New Research Build, washington dc, District of Columbia,
ST:ADDRESS                       	20057, USA
ST:EMAIL                         	elp44@georgetown.edu
ST:PHONE                         	2026875650
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Macaca mulatta
SU:TAXONOMY_ID                   	9544
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	POS_04	Time:5d	
SUBJECT_SAMPLE_FACTORS           	-	POS_05	Time:28d	
SUBJECT_SAMPLE_FACTORS           	-	POS_06	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_07	Time:7d	
SUBJECT_SAMPLE_FACTORS           	-	POS_08	Time:7d	
SUBJECT_SAMPLE_FACTORS           	-	POS_09	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_10	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_11	Time:21d	
SUBJECT_SAMPLE_FACTORS           	-	POS_12	Time:60d	
SUBJECT_SAMPLE_FACTORS           	-	POS_13	Time:1d	
SUBJECT_SAMPLE_FACTORS           	-	POS_17	Time:3d	
SUBJECT_SAMPLE_FACTORS           	-	POS_18	Time:28d	
SUBJECT_SAMPLE_FACTORS           	-	POS_19	Time:7d	
SUBJECT_SAMPLE_FACTORS           	-	POS_20	Time:28d	
SUBJECT_SAMPLE_FACTORS           	-	POS_21	Time:1d	
SUBJECT_SAMPLE_FACTORS           	-	POS_22	Time:7d	
SUBJECT_SAMPLE_FACTORS           	-	POS_23	Time:5d	
SUBJECT_SAMPLE_FACTORS           	-	POS_24	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_25	Time:5d	
SUBJECT_SAMPLE_FACTORS           	-	POS_26	Time:21d	
SUBJECT_SAMPLE_FACTORS           	-	POS_30	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_31	Time:28d	
SUBJECT_SAMPLE_FACTORS           	-	POS_32	Time:1d	
SUBJECT_SAMPLE_FACTORS           	-	POS_33	Time:3d	
SUBJECT_SAMPLE_FACTORS           	-	POS_34	Time:3d	
SUBJECT_SAMPLE_FACTORS           	-	POS_35	Time:7d	
SUBJECT_SAMPLE_FACTORS           	-	POS_36	Time:60d	
SUBJECT_SAMPLE_FACTORS           	-	POS_37	Time:21d	
SUBJECT_SAMPLE_FACTORS           	-	POS_38	Time:15d	
SUBJECT_SAMPLE_FACTORS           	-	POS_39	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_43	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_44	Time:60d	
SUBJECT_SAMPLE_FACTORS           	-	POS_45	Time:15d	
SUBJECT_SAMPLE_FACTORS           	-	POS_46	Time:1d	
SUBJECT_SAMPLE_FACTORS           	-	POS_47	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_48	Time:21d	
SUBJECT_SAMPLE_FACTORS           	-	POS_49	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_50	Time:28d	
SUBJECT_SAMPLE_FACTORS           	-	POS_51	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_52	Time:60d	
SUBJECT_SAMPLE_FACTORS           	-	POS_56	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_57	Time:15d	
SUBJECT_SAMPLE_FACTORS           	-	POS_58	Time:1d	
SUBJECT_SAMPLE_FACTORS           	-	POS_59	Time:15d	
SUBJECT_SAMPLE_FACTORS           	-	POS_60	Time:15d	
SUBJECT_SAMPLE_FACTORS           	-	POS_61	Time:5d	
SUBJECT_SAMPLE_FACTORS           	-	POS_62	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_63	Time:15d	
SUBJECT_SAMPLE_FACTORS           	-	POS_64	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_65	Time:1d	
SUBJECT_SAMPLE_FACTORS           	-	POS_69	Time:60d	
SUBJECT_SAMPLE_FACTORS           	-	POS_70	Time:1d	
SUBJECT_SAMPLE_FACTORS           	-	POS_71	Time:1d	
SUBJECT_SAMPLE_FACTORS           	-	POS_72	Time:60d	
SUBJECT_SAMPLE_FACTORS           	-	POS_73	Time:7d	
SUBJECT_SAMPLE_FACTORS           	-	POS_74	Time:28d	
SUBJECT_SAMPLE_FACTORS           	-	POS_75	Time:7d	
SUBJECT_SAMPLE_FACTORS           	-	POS_76	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_77	Time:3d	
SUBJECT_SAMPLE_FACTORS           	-	POS_78	Time:21d	
SUBJECT_SAMPLE_FACTORS           	-	POS_82	Time:3d	
SUBJECT_SAMPLE_FACTORS           	-	POS_83	Time:28d	
SUBJECT_SAMPLE_FACTORS           	-	POS_84	Time:7d	
SUBJECT_SAMPLE_FACTORS           	-	POS_85	Time:7d	
SUBJECT_SAMPLE_FACTORS           	-	POS_86	Time:21d	
SUBJECT_SAMPLE_FACTORS           	-	POS_87	Time:3d	
SUBJECT_SAMPLE_FACTORS           	-	POS_88	Time:5d	
SUBJECT_SAMPLE_FACTORS           	-	POS_89	Time:60d	
SUBJECT_SAMPLE_FACTORS           	-	POS_90	Time:5d	
SUBJECT_SAMPLE_FACTORS           	-	POS_91	Time:60d	
SUBJECT_SAMPLE_FACTORS           	-	POS_95	Time:1d	
SUBJECT_SAMPLE_FACTORS           	-	POS_96	Time:5d	
SUBJECT_SAMPLE_FACTORS           	-	POS_97	Time:21d	
SUBJECT_SAMPLE_FACTORS           	-	POS_98	Time:3d	
SUBJECT_SAMPLE_FACTORS           	-	POS_99	Time:15d	
SUBJECT_SAMPLE_FACTORS           	-	POS_100	Time:60d	
SUBJECT_SAMPLE_FACTORS           	-	POS_101	Time:15d	
SUBJECT_SAMPLE_FACTORS           	-	POS_102	Time:3d	
SUBJECT_SAMPLE_FACTORS           	-	POS_103	Time:28d	
SUBJECT_SAMPLE_FACTORS           	-	POS_104	Time:15d	
SUBJECT_SAMPLE_FACTORS           	-	POS_108	Time:28d	
SUBJECT_SAMPLE_FACTORS           	-	POS_109	Time:21d	
SUBJECT_SAMPLE_FACTORS           	-	POS_110	Time:21d	
SUBJECT_SAMPLE_FACTORS           	-	POS_111	Time:21d	
SUBJECT_SAMPLE_FACTORS           	-	POS_112	Time:5d	
SUBJECT_SAMPLE_FACTORS           	-	POS_113	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_114	Time:5d	
SUBJECT_SAMPLE_FACTORS           	-	POS_115	Time:28d	
SUBJECT_SAMPLE_FACTORS           	-	POS_116	Time:5d	
SUBJECT_SAMPLE_FACTORS           	-	POS_117	Time:3d	
SUBJECT_SAMPLE_FACTORS           	-	POS_121	Time:7d	
SUBJECT_SAMPLE_FACTORS           	-	POS_122	Time:15d	
SUBJECT_SAMPLE_FACTORS           	-	POS_123	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_124	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_125	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_126	Time:3d	
SUBJECT_SAMPLE_FACTORS           	-	POS_127	Time:60d	
SUBJECT_SAMPLE_FACTORS           	-	POS_128	Time:1d	
SUBJECT_SAMPLE_FACTORS           	-	POS_129	Time:pre	
SUBJECT_SAMPLE_FACTORS           	-	POS_130	Time:pre	
#COLLECTION
CO:COLLECTION_SUMMARY            	urine (20 μl) was deproteinated with 80 μl 50% cold acetonitrile with internal
CO:COLLECTION_SUMMARY            	standards (2 μM debrisoquine, 176.1188 [M+H]+; 30 μM 4-nitrobenzoic acid,
CO:COLLECTION_SUMMARY            	166.0140 [M-H]-), vortexed, placed on ice for 10 min, and centrifuged for 10 min
CO:COLLECTION_SUMMARY            	(10,000 x g, 4°C)
CO:SAMPLE_TYPE                   	Urine
#TREATMENT
TR:TREATMENT_SUMMARY             	4 Gy at 0.6 Gy/min with a 60Co γ source
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	urine (20 μl) was deproteinated with 80 μl 50% cold acetonitrile with internal
SP:SAMPLEPREP_SUMMARY            	standards (2 μM debrisoquine, 176.1188 [M+H]+; 30 μM 4-nitrobenzoic acid,
SP:SAMPLEPREP_SUMMARY            	166.0140 [M-H]-), vortexed, placed on ice for 10 min, and centrifuged for 10 min
SP:SAMPLEPREP_SUMMARY            	(10,000 x g, 4°C)
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (50 x 2.1mm, 1.7 um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Waters Synapt G2 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	None
MS:MS_RESULTS_FILE               	ST001146_AN001891_Results.txt	UNITS:peak area	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END