#METABOLOMICS WORKBENCH agil@ua.pt_20160503_094401 DATATRACK_ID:613 STUDY_ID:ST000398 ANALYSIS_ID:AN000635 PROJECT_ID:PR000311
VERSION             	1
CREATED_ON             	May 13, 2016, 7:37 am
#PROJECT
PR:PROJECT_TITLE                 	none
PR:PROJECT_SUMMARY               	none
PR:INSTITUTE                     	University of Aveiro
PR:DEPARTMENT                    	CICECO-Department of Chemistry
PR:LAST_NAME                     	Gil
PR:FIRST_NAME                    	Ana
PR:ADDRESS                       	CICECO-Department of Chemistry, University of Aveiro
PR:EMAIL                         	agil@ua.pt
PR:PHONE                         	none
#STUDY
ST:STUDY_TITLE                   	Metabolic profiling of maternal urine can aid clinical management of Gestational
ST:STUDY_TITLE                   	Diabetes Mellitus (GDM)
ST:STUDY_TYPE                    	Search for non-treated and treated GDM biomarkers in urine
ST:STUDY_SUMMARY                 	NMR metabolomics study of maternal urine of 1) GDM women at the time of
ST:STUDY_SUMMARY                 	diagnosis and before treatment, to define the urine metabolic profile of
ST:STUDY_SUMMARY                 	untreated GDM, and of 2) GDM women treated using diet control alone or with the
ST:STUDY_SUMMARY                 	addition of insulin, to identify treatment-resistant and treatment-responsive
ST:STUDY_SUMMARY                 	metabolic pathways and, hence, evaluate treatment efficacy, and 3) GDM treatment
ST:STUDY_SUMMARY                 	prediction at the time of diagnosis, with the aim of finding potential
ST:STUDY_SUMMARY                 	predictive markers of future treatment requirements based on each individual
ST:STUDY_SUMMARY                 	metabotype.
ST:INSTITUTE                     	University of Aveiro
ST:DEPARTMENT                    	CICECO-Department of Chemistry, University of Aveiro
ST:LAST_NAME                     	Gil
ST:FIRST_NAME                    	Ana
ST:ADDRESS                       	CICECO-Department of Chemistry, University of Aveiro
ST:EMAIL                         	agil@ua.pt
ST:PHONE                         	none
ST:NUM_GROUPS                    	5
ST:TOTAL_SUBJECTS                	98
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	18-41 years
SU:GENDER                        	Female
SU:HUMAN_RACE                    	Caucasian
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	PU1253_09_26gw_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=35; Gestational age=26; BMI=17.3
SUBJECT_SAMPLE_FACTORS           	-	PU1288_09_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=28; Gestational age=20; BMI=25.6
SUBJECT_SAMPLE_FACTORS           	-	PU2T2_10_16gw_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=37; Gestational age=16; BMI=32
SUBJECT_SAMPLE_FACTORS           	-	PU3T11_10_26gw_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=39; Gestational age=26; BMI=23.4
SUBJECT_SAMPLE_FACTORS           	-	PU3T2_11_32gw_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=36; Gestational age=29; BMI=20.8
SUBJECT_SAMPLE_FACTORS           	-	PU3T32_11_32gw_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=34; Gestational age=31; BMI=20.6
SUBJECT_SAMPLE_FACTORS           	-	PU3T6_10_32gw_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=24; Gestational age=31; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	PU3T7_12_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=29; Gestational age=27; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	PU3T8_12_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=34; Gestational age=31; BMI=23.2
SUBJECT_SAMPLE_FACTORS           	-	PU3T9_11_31gw_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=32; Gestational age=32; BMI=16.9
SUBJECT_SAMPLE_FACTORS           	-	PU640_10_22gw_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=39; Gestational age=22; BMI=24.3
SUBJECT_SAMPLE_FACTORS           	-	PU81_09_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=29; Gestational age=19; BMI=No_info
SUBJECT_SAMPLE_FACTORS           	-	PU848_06_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=39; Gestational age=19; BMI=23.6
SUBJECT_SAMPLE_FACTORS           	-	PU895_06_1_1	group ID:Control group 1 | Treatment duration:NA	Maternal age=36; Gestational age=21; BMI=21.2
SUBJECT_SAMPLE_FACTORS           	-	PU_HDD3_11_1_1	group ID:Non treated-GDM, Diet-requiring | Treatment duration:NA	Maternal age=28; Gestational age=27; BMI=17.6
SUBJECT_SAMPLE_FACTORS           	-	PU_HDD3_12_1_1	group ID:Non treated-GDM, Diet-requiring | Treatment duration:NA	Maternal age=39; Gestational age=24; BMI=35.8
SUBJECT_SAMPLE_FACTORS           	-	PU_HDD5_12_1_1	group ID:Non treated-GDM, Diet-requiring | Treatment duration:NA	Maternal age=34; Gestational age=26; BMI=20.7
SUBJECT_SAMPLE_FACTORS           	-	PU_HDD8_11_1_1	group ID:Non treated-GDM, Diet-requiring | Treatment duration:NA	Maternal age=30; Gestational age=missing information; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	PU_HDD9_11_1_1	group ID:Non treated-GDM, Diet-requiring | Treatment duration:NA	Maternal age=34; Gestational age=27; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	U_Dx11_15_1_1	group ID:Non treated-GDM, Diet-requiring | Treatment duration:NA	Maternal age=33; Gestational age=26; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	U_Dx13_15_1_1	group ID:Non treated-GDM, Diet-requiring | Treatment duration:NA	Maternal age=32; Gestational age=26; BMI=29.4
SUBJECT_SAMPLE_FACTORS           	-	U_Dx25_15_1_1	group ID:Non treated-GDM, Diet-requiring | Treatment duration:NA	Maternal age=38; Gestational age=29; BMI=22.4
SUBJECT_SAMPLE_FACTORS           	-	U_Dx26_15_1_1	group ID:Non treated-GDM, Diet-requiring | Treatment duration:NA	Maternal age=41; Gestational age=26; BMI=25.2
SUBJECT_SAMPLE_FACTORS           	-	U_Dx27_15_1_1	group ID:Non treated-GDM, Diet-requiring | Treatment duration:NA	Maternal age=35; Gestational age=27; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	U_Dx4_15_1_1	group ID:Non treated-GDM, Diet-requiring | Treatment duration:NA	Maternal age=33; Gestational age=27; BMI=28.7
SUBJECT_SAMPLE_FACTORS           	-	U_Dx5_15_1_1	group ID:Non treated-GDM, Diet-requiring | Treatment duration:NA	Maternal age=35; Gestational age=26; BMI=23.6
SUBJECT_SAMPLE_FACTORS           	-	PU_HDD10_11_1_1	group ID:Non treated-GDM, Insulin-requiring | Treatment duration:NA	Maternal age=41; Gestational age=16; BMI=30.9
SUBJECT_SAMPLE_FACTORS           	-	PU_HDD1_11_1_1	group ID:Non treated-GDM, Insulin-requiring | Treatment duration:NA	Maternal age=40; Gestational age=24; BMI=30
SUBJECT_SAMPLE_FACTORS           	-	PU_HDD1_12_1_1	group ID:Non treated-GDM, Insulin-requiring | Treatment duration:NA	Maternal age=38; Gestational age=26; BMI=21.3
SUBJECT_SAMPLE_FACTORS           	-	PU_HDD2_12_1_1	group ID:Non treated-GDM, Insulin-requiring | Treatment duration:NA	Maternal age=32; Gestational age=26; BMI=28.3
SUBJECT_SAMPLE_FACTORS           	-	PU_HDD5_11_1_1	group ID:Non treated-GDM, Insulin-requiring | Treatment duration:NA	Maternal age=28; Gestational age=28; BMI=20
SUBJECT_SAMPLE_FACTORS           	-	U_Dx23_15_1_1	group ID:Non treated-GDM, Insulin-requiring | Treatment duration:NA	Maternal age=36; Gestational age=29; BMI=24.2
SUBJECT_SAMPLE_FACTORS           	-	PU3T10_11_35gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=32; Gestational age=35; BMI=19.92
SUBJECT_SAMPLE_FACTORS           	-	PU3T11_11_39gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=26; Gestational age=39; BMI=24.65
SUBJECT_SAMPLE_FACTORS           	-	PU3T17_11_37gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=33; Gestational age=37; BMI=19.1
SUBJECT_SAMPLE_FACTORS           	-	PU3T18_11_39gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=22; Gestational age=39; BMI=24.73
SUBJECT_SAMPLE_FACTORS           	-	PU3T1_12_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=34; Gestational age=31; BMI=21.3
SUBJECT_SAMPLE_FACTORS           	-	PU3T21_11_37gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=37; Gestational age=37; BMI=23.6
SUBJECT_SAMPLE_FACTORS           	-	PU3T22_11_37gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=38; Gestational age=37; BMI=20.55
SUBJECT_SAMPLE_FACTORS           	-	PU3T24_11_38gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=28; Gestational age=38; BMI=22.26
SUBJECT_SAMPLE_FACTORS           	-	PU3T25_11_32gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=20; Gestational age=32; BMI=21.08
SUBJECT_SAMPLE_FACTORS           	-	PU3T26_11_33gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=32; Gestational age=33; BMI=20.83
SUBJECT_SAMPLE_FACTORS           	-	PU3T27_11_38gw_2_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=31; Gestational age=38; BMI=24.02
SUBJECT_SAMPLE_FACTORS           	-	PU3T2_11_32gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=28; Gestational age=32; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	PU3T30_11_35gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=38; Gestational age=35; BMI=22.86
SUBJECT_SAMPLE_FACTORS           	-	PU3T32_11_32gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=31; Gestational age=32; BMI=20.58
SUBJECT_SAMPLE_FACTORS           	-	PU3T34_11_31gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=24; Gestational age=31; BMI=34.38
SUBJECT_SAMPLE_FACTORS           	-	PU3T39_11_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=30; Gestational age=32; BMI=27.73
SUBJECT_SAMPLE_FACTORS           	-	PU3T3_11_39gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=36; Gestational age=39; BMI=23.36
SUBJECT_SAMPLE_FACTORS           	-	PU3T43_11_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=35; Gestational age=37; BMI=22.66
SUBJECT_SAMPLE_FACTORS           	-	PU3T51_11_2_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=37; Gestational age=36; BMI=24.46
SUBJECT_SAMPLE_FACTORS           	-	PU3T5_11_32gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=30; Gestational age=32; BMI=29.4
SUBJECT_SAMPLE_FACTORS           	-	PU3T6_10_32gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=33; Gestational age=32; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	PU3T7_12_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=30; Gestational age=30; BMI=21.8
SUBJECT_SAMPLE_FACTORS           	-	PU3T8_11_29gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=36; Gestational age=27; BMI=31.24
SUBJECT_SAMPLE_FACTORS           	-	PU3T8_12_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=29; Gestational age=27; BMI=31.24
SUBJECT_SAMPLE_FACTORS           	-	PU3T9_11_31gw_2_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=34; Gestational age=31; BMI=16.91
SUBJECT_SAMPLE_FACTORS           	-	PU1288_09_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=28; Gestational age=20; BMI=25.6
SUBJECT_SAMPLE_FACTORS           	-	PU895_06_2_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=36; Gestational age=21; BMI=21.2
SUBJECT_SAMPLE_FACTORS           	-	PU3T11_10_26gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=39; Gestational age=26; BMI=23.44
SUBJECT_SAMPLE_FACTORS           	-	PU1253_09_26gw_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=35; Gestational age=26; BMI=17.3
SUBJECT_SAMPLE_FACTORS           	-	PU1129_09_1_1	group ID:Control group 2 | Treatment duration:NA	Maternal age=36; Gestational age=17; BMI=17.3
SUBJECT_SAMPLE_FACTORS           	-	PU2T10_11_1_1	group ID:Diet treated-GDM | Treatment duration:12	Maternal age=18; Gestational age=24; BMI=18.13
SUBJECT_SAMPLE_FACTORS           	-	PU2T11_11_3_1	group ID:Diet treated-GDM | Treatment duration:3	Maternal age=29; Gestational age=26; BMI=22.51
SUBJECT_SAMPLE_FACTORS           	-	PU2T811_1_1	group ID:Diet treated-GDM | Treatment duration:3	Maternal age=27; Gestational age=27; BMI=27.1
SUBJECT_SAMPLE_FACTORS           	-	PU3T14_11_1_1	group ID:Diet treated-GDM | Treatment duration:3	Maternal age=23; Gestational age=38; BMI=22.7
SUBJECT_SAMPLE_FACTORS           	-	PU3T2_12_1_1	group ID:Diet treated-GDM | Treatment duration:2	Maternal age=31; Gestational age=27; BMI=23.34
SUBJECT_SAMPLE_FACTORS           	-	PU3T40_11_1_1	group ID:Diet treated-GDM | Treatment duration:11	Maternal age=32; Gestational age=37; BMI=18.3
SUBJECT_SAMPLE_FACTORS           	-	PU3T44_11_1_1	group ID:Diet treated-GDM | Treatment duration:9	Maternal age=39; Gestational age=34; BMI=27.73
SUBJECT_SAMPLE_FACTORS           	-	PU3T46_11_1_1	group ID:Diet treated-GDM | Treatment duration:11	Maternal age=35; Gestational age=37; BMI=29.7
SUBJECT_SAMPLE_FACTORS           	-	PU3T4_12_1_1	group ID:Diet treated-GDM | Treatment duration:13	Maternal age=35; Gestational age=38; BMI=21.78
SUBJECT_SAMPLE_FACTORS           	-	PU3T5_10_1_1	group ID:Diet treated-GDM | Treatment duration:2	Maternal age=32; Gestational age=35; BMI=21.6
SUBJECT_SAMPLE_FACTORS           	-	PU668_09_1_1	group ID:Diet treated-GDM | Treatment duration:4	Maternal age=37; Gestational age=17; BMI=35.80
SUBJECT_SAMPLE_FACTORS           	-	PUsc1010_3_1	group ID:Diet treated-GDM | Treatment duration:3	Maternal age=35; Gestational age=38; BMI=31.3
SUBJECT_SAMPLE_FACTORS           	-	PUsc1_11_1_1	group ID:Diet treated-GDM | Treatment duration:6	Maternal age=29; Gestational age=38; BMI=40.4
SUBJECT_SAMPLE_FACTORS           	-	PUsc2010_1_1	group ID:Diet treated-GDM | Treatment duration:7	Maternal age=30; Gestational age=37; BMI=32.0
SUBJECT_SAMPLE_FACTORS           	-	PUsc2110_1_1	group ID:Diet treated-GDM | Treatment duration:4	Maternal age=33; Gestational age=36; BMI=24.9
SUBJECT_SAMPLE_FACTORS           	-	PUsc2210_1_1	group ID:Diet treated-GDM | Treatment duration:3	Maternal age=33; Gestational age=37; BMI=21.9
SUBJECT_SAMPLE_FACTORS           	-	PUsc2310_1_1	group ID:Diet treated-GDM | Treatment duration:2	Maternal age=38; Gestational age=38; BMI=21.1
SUBJECT_SAMPLE_FACTORS           	-	PUsc2410_1_1	group ID:Diet treated-GDM | Treatment duration:3	Maternal age=33; Gestational age=35; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	PUsc2610_1_1	group ID:Diet treated-GDM | Treatment duration:2	Maternal age=32; Gestational age=30; BMI=24.8
SUBJECT_SAMPLE_FACTORS           	-	PUsc2710_3_1	group ID:Diet treated-GDM | Treatment duration:3	Maternal age=41; Gestational age=37; BMI=26.6
SUBJECT_SAMPLE_FACTORS           	-	PUsc2810_1_1	group ID:Diet treated-GDM | Treatment duration:7	Maternal age=28; Gestational age=36; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	PUsc3010_1_1	group ID:Diet treated-GDM | Treatment duration:2	Maternal age=28; Gestational age=34; BMI=22.9
SUBJECT_SAMPLE_FACTORS           	-	PUsc310_2_1	group ID:Diet treated-GDM | Treatment duration:5	Maternal age=30; Gestational age=37; BMI=32.8
SUBJECT_SAMPLE_FACTORS           	-	PUsc3210_1_1	group ID:Diet treated-GDM | Treatment duration:7	Maternal age=32; Gestational age=40; BMI=23.0
SUBJECT_SAMPLE_FACTORS           	-	PUsc3410_1_1	group ID:Diet treated-GDM | Treatment duration:2	Maternal age=30; Gestational age=35; BMI=22.64
SUBJECT_SAMPLE_FACTORS           	-	PUsc3610_1_1	group ID:Diet treated-GDM | Treatment duration:4	Maternal age=36; Gestational age=31; BMI=21.63
SUBJECT_SAMPLE_FACTORS           	-	PUsc410_2_1	group ID:Diet treated-GDM | Treatment duration:5	Maternal age=30; Gestational age=39; BMI=27.53
SUBJECT_SAMPLE_FACTORS           	-	PUsc710_3_1	group ID:Diet treated-GDM | Treatment duration:7	Maternal age=33; Gestational age=38; BMI=26.84
SUBJECT_SAMPLE_FACTORS           	-	PUsc910_2_1	group ID:Insulin treated-GDM | Treatment duration:22	Maternal age=38; Gestational age=32; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	PU1106_09_Ins_2T_1_1	group ID:Insulin treated-GDM | Treatment duration:7	Maternal age=38; Gestational age=32; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	PU3T38_11_1_1	group ID:Insulin treated-GDM | Treatment duration:6	Maternal age=39; Gestational age=28; BMI=32.5
SUBJECT_SAMPLE_FACTORS           	-	PUsc110_2_1	group ID:Insulin treated-GDM | Treatment duration:12	Maternal age=30; Gestational age=26; BMI=44.7
SUBJECT_SAMPLE_FACTORS           	-	PUsc210_2_1	group ID:Insulin treated-GDM | Treatment duration:6	Maternal age=23; Gestational age=38; BMI=28.1
SUBJECT_SAMPLE_FACTORS           	-	PUsc2510_1_1	group ID:Insulin treated-GDM | Treatment duration:3	Maternal age=31; Gestational age=31; BMI=missing information
SUBJECT_SAMPLE_FACTORS           	-	PUsc610_2_1	group ID:Insulin treated-GDM | Treatment duration:9	Maternal age=33; Gestational age=20; BMI=41.02
SUBJECT_SAMPLE_FACTORS           	-	PU3T41_11	group ID:Insulin treated-GDM | Treatment duration:14	Maternal age=missing information; Gestational age=38; BMI=missing information
#COLLECTION
CO:COLLECTION_SUMMARY            	Urine samples were collected at routine medical appointments and diabetes
CO:COLLECTION_SUMMARY            	counselling appointments, for independent groups of women in their 2nd and 3rd
CO:COLLECTION_SUMMARY            	trimesters of pregnancy. Samples were collected under ethical approval of the
CO:COLLECTION_SUMMARY            	Hospital Center of Coimbra (Refs.18/04 and 29/09) and informed consents were
CO:COLLECTION_SUMMARY            	obtained from each woman.
CO:SAMPLE_TYPE                   	Urine
CO:COLLECTION_LOCATION           	Maternity Bissaya Barreto, Coimbra, Portugal
CO:COLLECTION_TIME               	Non-fasting, during morning
CO:VOLUMEORAMOUNT_COLLECTED      	50 mL
CO:STORAGE_CONDITIONS            	-80ºC
CO:ADDITIVES                     	No
#TREATMENT
TR:TREATMENT_SUMMARY             	Subjects were treated with diet or insulin
TR:TREATMENT_COMPOUND            	Insulin
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Before analysis, samples were thawed and 800 ?L were centrifuged (4500g, 5
SP:SAMPLEPREP_SUMMARY            	min). Then, 60 ?L of 1.5 M phosphate buffer pH 7 in D2O, 0.1%
SP:SAMPLEPREP_SUMMARY            	Na+/3-trimethylsilyl-propionate (TSP) were added to 540 ?L of supernatant,
SP:SAMPLEPREP_SUMMARY            	followed by pH readjustment to 7.00±0.02 with KOD (4 M) or DCl (4 M). The
SP:SAMPLEPREP_SUMMARY            	mixture was centrifuged (4500 g, 5 min) and 550 ?L transferred to 5 mm NMR
SP:SAMPLEPREP_SUMMARY            	tubes.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	-
CH:INSTRUMENT_NAME               	-
CH:COLUMN_NAME                   	-
#ANALYSIS
AN:ANALYSIS_TYPE                 	NMR
AN:LABORATORY_NAME               	CICECO metabolomics group
AN:SOFTWARE_VERSION              	Topspin 3.2
AN:ANALYSIS_PROTOCOL_FILE        	noesypr1d
#NMR
NM:INSTRUMENT_NAME               	Bruker Avance DRX 500
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D-1H
NM:NMR_COMMENTS                  	Standard experiment (noesypr1d)
NM:FIELD_FREQUENCY_LOCK          	Deuterium
NM:SPECTROMETER_FREQUENCY        	500 MHz
NM:NMR_PROBE                     	BBI
NM:NMR_SOLVENT                   	D2O+H2O
NM:NMR_TUBE_SIZE                 	5 mm
NM:SHIMMING_METHOD               	Automatic
NM:PULSE_SEQUENCE                	noesypr1d
NM:WATER_SUPPRESSION             	presaturation
NM:RECEIVER_GAIN                 	32
NM:CHEMICAL_SHIFT_REF_CPD        	TSP
NM:TEMPERATURE                   	300 K
NM:NUMBER_OF_SCANS               	128
NM:DUMMY_SCANS                   	4
NM:ACQUISITION_TIME              	3.25 s
NM:RELAXATION_DELAY              	32
NM:SPECTRAL_WIDTH                	20.16 ppm
NM:NUM_DATA_POINTS_ACQUIRED      	64 k
NM:REAL_DATA_POINTS              	64 k
NM:LINE_BROADENING               	0.3 Hz
NM:BASELINE_CORRECTION_METHOD    	manual
NM:CHEMICAL_SHIFT_REF_STD        	TSP (0.0 ppm)
NM:BINNED_INCREMENT              	full resolution
NM:BINNED_DATA_EXCLUDED_RANGE    	4.60-5.05 ppm
NM:NMR_RESULTS_FILE              	ST000398_AN000635_Results.txt	UNITS:ppm
#END