#METABOLOMICS WORKBENCH hormel101_20161014_132015_mwtab.txt DATATRACK_ID:759
VERSION             	1
CREATED_ON             	November 16, 2016, 3:01 pm
#PROJECT
PR:PROJECT_TITLE                 	Mayo Metabolomics Pilot and Feasibility Award: Mechanisms of sleep apnea and
PR:PROJECT_TITLE                 	cardiovascular disease
PR:PROJECT_TYPE                  	MS targeted analysis
PR:PROJECT_SUMMARY               	Targeted Metabolic and Biological Markers of Sleepiness Symptoms in Sleep apnea
PR:PROJECT_SUMMARY               	and cardiovascular disease
PR:INSTITUTE                     	Mayo Clinic
PR:LABORATORY                    	Mayo Clinic Metabolomics Resource Core
PR:LAST_NAME                     	Pak
PR:FIRST_NAME                    	Victoria
PR:ADDRESS                       	unknown
PR:EMAIL                         	victoria.pak@yale.edu
PR:PHONE                         	203-737-5065
#STUDY
ST:STUDY_TITLE                   	Sleep apnea and cardiovascular samples ceramide concentrations
ST:STUDY_SUMMARY                 	Sleep apnea and cardiovascular samples ceramide concentrations
ST:INSTITUTE                     	Mayo Clinic
ST:LABORATORY                    	Mayo Clinic Metabolomics Resource Core
ST:LAST_NAME                     	Pak
ST:FIRST_NAME                    	Victoria
ST:ADDRESS                       	unknown
ST:EMAIL                         	victoria.pak@yale.edu
ST:PHONE                         	203-737-5065
#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           	s_01	ms5687-1	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_02	ms5687-2	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_03	ms5687-3	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_04	ms5687-4	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_05	ms5687-5	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_06	ms5687-6	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_07	ms5687-7	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_08	ms5687-8	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_09	ms5687-9	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_10	ms5687-10	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_11	ms5687-11	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_12	ms5687-12	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_13	ms5687-13	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_14	ms5687-14	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_15	ms5687-15	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_16	ms5687-16	Disease:cardiovascular disease	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_17	ms5687-17	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_18	ms5687-18	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_19	ms5687-19	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_20	ms5687-20	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_21	ms5687-21	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_22	ms5687-22	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_23	ms5687-23	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_24	ms5687-24	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_25	ms5687-25	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_26	ms5687-26	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_27	ms5687-27	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_28	ms5687-28	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_29	ms5687-29	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_30	ms5687-30	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_31	ms5687-31	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_32	ms5687-32	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_33	ms5687-33	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_34	ms5687-34	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_35	ms5687-35	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
SUBJECT_SAMPLE_FACTORS           	s_36	ms5687-36	Disease:sleep apnea	sample type=plasma; Assay=Ceramide concentrations in plasma (uM)
#COLLECTION
CO:COLLECTION_SUMMARY            	For the metabolic markers, 9 ml blood will be drawn into 3 EDTA tubes (3 ml
CO:COLLECTION_SUMMARY            	each) and gently centrifuged at 4°C for 10 min; plasma aliquots were
CO:COLLECTION_SUMMARY            	immediately frozen and stored at -80 °C; will be stored at -80ºC in the CTRC
CO:COLLECTION_SUMMARY            	until all samples are collected and then sent to Mayo Clinic Metabolomics Core
CO:COLLECTION_SUMMARY            	via LC-MS/MS for simultaneous detection and quantification of metabolites for
CO:COLLECTION_SUMMARY            	analyses.
#TREATMENT
TR:TREATMENT_SUMMARY             	Recruitment of subjects will take place from the clinic population in
TR:TREATMENT_SUMMARY             	collaboration with the Penn Sleep Center. Patients newly diagnosed with OSA will
TR:TREATMENT_SUMMARY             	be solicited for via an overnight sleep study, which is general monitoring of
TR:TREATMENT_SUMMARY             	sleep and variety of body functions during sleep. This includes brain (EEG), eye
TR:TREATMENT_SUMMARY             	(EOG), and muscle activity and heart rhythm. The diagnosis of OSA will be
TR:TREATMENT_SUMMARY             	established by full sleep study. First, the PI will screen for eligibility and
TR:TREATMENT_SUMMARY             	obtain informed consent. We will assess height, weight, medical history,
TR:TREATMENT_SUMMARY             	demographics. EDS will be measured subjectively on the night of enrollment in
TR:TREATMENT_SUMMARY             	the study and determined using the Epworth Sleepiness Scale. The information
TR:TREATMENT_SUMMARY             	regarding gender, BMI, smoking, age, medications (name/duration/frequency), and
TR:TREATMENT_SUMMARY             	presence of comorbidities (e.g. hypertension, CVD defined by doctor diagnosis of
TR:TREATMENT_SUMMARY             	myocardial infarction, stroke, or heart failure) will then be obtained via the
TR:TREATMENT_SUMMARY             	electronic medical record. We will also ask subjects whether they exercise by
TR:TREATMENT_SUMMARY             	asking participants the yes/no question: “During the past month, did you
TR:TREATMENT_SUMMARY             	participate in any physical activities or exercises?” Second, the subject will
TR:TREATMENT_SUMMARY             	undergo diagnostic PSG and we will enforce fasting prior to bedtime. Third,
TR:TREATMENT_SUMMARY             	biological samples will be collected in the morning after the sleep study.
TR:TREATMENT_SUMMARY             	Patients who have agreed to participate will undergo a blood draw (20 ml) and
TR:TREATMENT_SUMMARY             	urine collection (30 ml) on the morning after PSG. Laboratory analysis of the
TR:TREATMENT_SUMMARY             	biological samples will be conducted in collaboration with the Clinical
TR:TREATMENT_SUMMARY             	Translation Research Center (CTRC). Finally, subjects will have 1 or 2 practice
TR:TREATMENT_SUMMARY             	sessions with the PVT prior to administration of the task. PVT test will be
TR:TREATMENT_SUMMARY             	conducted 3 times, at approximately 10:00, 12:00, and 14:00 and automatically
TR:TREATMENT_SUMMARY             	scored. This will be done on the day after the sleep study.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	ceramide concentrations
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	AMT HALO HILIC 2.7, 4.6x150mm
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Thermo Quantiva QQQ
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	micromolar
MS_METABOLITE_DATA_START
Samples	ms5687-1	ms5687-2	ms5687-3	ms5687-4	ms5687-5	ms5687-6	ms5687-7	ms5687-8	ms5687-9	ms5687-10	ms5687-11	ms5687-12	ms5687-13	ms5687-14	ms5687-15	ms5687-16	ms5687-17	ms5687-18	ms5687-19	ms5687-20	ms5687-21	ms5687-22	ms5687-23	ms5687-24	ms5687-25	ms5687-26	ms5687-27	ms5687-28	ms5687-29	ms5687-30	ms5687-31	ms5687-32	ms5687-33	ms5687-34	ms5687-35	ms5687-36
Factors	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:cardiovascular disease	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea	Disease:sleep apnea
S1P	0.01054716	0.017930173	0.013711308	0.020039605	0.009492444	0.01054716	0.00527358	0.008437728	0.016875456	0.01054716	0.009492444	0.031641481	0.018984889	0.023203753	0.012656592	0.006328296	0.041133925	0.049571653	0.043243357	0.059064098	0.060118814	0.060118814	0.062228246	0.050626369	0.025313185	0.030586765	0.027422617	0.029532049	0.023203753	0.022149037	0.016875456	0.012656592	0.040079209	0.025313185	0.050626369	0.020039605
SPA	0.009293125	0.014603482	0.009293125	0.014603482	0.007965536	0.007965536	0.005310357	0.007965536	0.013275893	0.011948304	0.007965536	0.026551786	0.014603482	0.013275893	0.009293125	0.007965536	0.022569018	0.0371725	0.029206965	0.031862143	0.027879375	0.042482858	0.049120804	0.035844911	0.015931072	0.026551786	0.022569018	0.022569018	0.015931072	0.017258661	0.013275893	0.011948304	0.030534554	0.01858625	0.022569018	0.013275893
Sph	0.660246857	0.772515554	0.681631371	0.812611517	0.645545004	0.767169425	0.856717076	0.727073462	0.721727334	0.618814362	0.598766381	0.749794508	0.581391464	0.657573793	0.737765719	0.646881536	0.660246857	0.760486765	0.779198214	0.927553278	0.862063205	0.870082397	0.809938453	0.874091994	0.666929518	0.644208472	0.866072801	0.576045335	0.747121444	0.71905427	0.796573132	0.775188618	0.825976838	0.690987096	0.899486103	0.641535408
C8-cer	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
C14-Cer	0.006280902	0.017272479	0.005495789	0.006280902	0.004710676	0.005495789	0.006280902	0.006280902	0.007851127	0.004710676	0.004710676	0.007066014	0.007851127	0.00863624	0.007851127	0.00863624	0.007066014	0.007066014	0.006280902	0.007851127	0.004710676	0.00863624	0.006280902	0.007066014	0.006280902	0.003925563	0.009421352	0.007851127	0.007851127	0.003925563	0.005495789	0.003925563	0.007851127	0.006280902	0.010991578	0.012561803
C16-Cer	0.177112325	0.505291045	0.241855066	0.234413371	0.172647308	0.200181577	0.197949069	0.242599235	0.258970963	0.244831743	0.207623272	0.31478367	0.357201328	0.351247972	0.215809135	0.277575198	0.198693238	0.247064252	0.251529268	0.192739883	0.261203471	0.311062823	0.206134933	0.363154683	0.168182292	0.202414086	0.32743455	0.293202756	0.26269181	0.190507375	0.179344833	0.13171799	0.241855066	0.290226079	0.355712989	0.365387191
C18:1-Cer	0.007807953	0.012066836	0.009937394	0.011357022	0.009227581	0.008517767	0.009227581	0.009227581	0.010647208	0.009227581	0.009937394	0.009227581	0.010647208	0.013486464	0.009937394	0.010647208	0.009937394	0.011357022	0.010647208	0.009937394	0.011357022	0.011357022	0.011357022	0.011357022	0.009227581	0.009937394	0.009937394	0.013486464	0.009937394	0.008517767	0.009937394	0.008517767	0.009227581	0.009937394	0.01277665	0.013486464
C18-Cer	0.052339079	0.207234463	0.130140414	0.118116571	0.065070207	0.055875504	0.089117892	0.081337759	0.119531141	0.106092729	0.135091408	0.116702001	0.14994439	0.180357639	0.047388085	0.090532462	0.092654316	0.138627832	0.116702001	0.077801334	0.150651675	0.173992075	0.118823856	0.214307312	0.096190741	0.117409286	0.17187022	0.167626511	0.10043445	0.079923189	0.041729807	0.036071528	0.098312595	0.072143055	0.171162935	0.154188099
C20-Cer	0.059301689	0.176557301	0.097039127	0.104451838	0.058627806	0.059301689	0.070757697	0.080865939	0.099060776	0.094343596	0.117929495	0.105125721	0.134102683	0.109169018	0.043802384	0.080192057	0.084235354	0.105799604	0.099734659	0.091648065	0.119951143	0.134776566	0.088278651	0.15971023	0.066040517	0.082213705	0.136798214	0.09771301	0.080865939	0.05728004	0.03571579	0.041780735	0.084235354	0.069409931	0.119951143	0.115907847
C22-cer	0.275415617	0.364217849	0.438219708	0.315312272	0.243240895	0.312738294	0.323034205	0.304372866	0.310164316	0.344269521	0.35134796	0.326251677	0.446585136	0.377087737	0.273485134	0.339121566	0.316599261	0.293433461	0.294076955	0.313381788	0.438219708	0.393818592	0.289572494	0.522517479	0.240023423	0.316599261	0.330756138	0.296007439	0.318529744	0.246458368	0.202057252	0.20913569	0.360356882	0.303085878	0.400253537	0.316599261
C24:1-Cer	0.422468662	0.960436798	0.508938856	0.673232225	0.730055495	0.547850444	0.478056644	0.703496793	0.622585397	0.770202371	0.560203328	0.728820207	0.646673523	0.754143621	0.32611616	0.577497367	0.470644913	0.688055687	0.531174049	0.405792268	0.689290975	0.681879244	0.461997894	0.692996841	0.490409529	0.727584918	0.564526838	0.714614389	0.557732752	0.701026216	0.421233374	0.573173858	0.623820686	0.589232608	0.765878861	0.557732752
C24-Cer	1.730197018	2.151971024	1.821940561	1.51900215	1.239461422	1.672318541	1.711725163	1.71726672	1.592273839	1.619365892	1.592273839	1.815167547	1.945701984	1.434031621	1.359528475	1.643995031	1.623675991	1.449424833	1.487599998	1.361991389	2.176600163	1.699410594	1.20805927	2.778782612	0.946374668	1.679707283	1.480211256	0.979624005	1.717882448	1.351524005	1.120010098	1.174809932	1.695716223	1.77391374	1.967252481	1.689558938
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
S1P
SPA
Sph
C8-cer
C14-Cer
C16-Cer
C18:1-Cer
C18-Cer
C20-Cer
C22-cer
C24:1-Cer
C24-Cer
METABOLITES_END
#END