#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-08-01
#PROJECT
PR:PROJECT_TITLE    	Metabolic regulation by PARP-1 in myofibroblast differentiation and fibrosis
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Analysis of wild type lung tissue after saline or bleomycin treatment
PR:INSTITUTE        	University of Michigan
PR:DEPARTMENT       	Deaprtment of Pathology
PR:LABORATORY       	Sem H. Phan
PR:LAST_NAME        	Hu
PR:FIRST_NAME       	Biao
PR:ADDRESS          	Ann Arbor, MI
PR:EMAIL            	biaohu@med.umich.edu
PR:PHONE            	734-7635731
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Metabolic analysis of Parp1 ko/wt Saline & Bleo Mouse Lung Fiboblasts and Human IPF & Normal Lung Fiboblasts 3
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	Glycolysis/TCA/Nucleotide analysis (especially interested in alpha-ketoglutarate) and NAD+ and related metabolite analysis for all samples
ST:INSTITUTE        	University of Michigan
ST:DEPARTMENT       	Biomedical Research Core Facilities
ST:LABORATORY       	Metabolomics core
ST:LAST_NAME        	Kachman
ST:FIRST_NAME       	Maureen
ST:ADDRESS          	6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714
ST:EMAIL            	mkachman@med.umich.edu
ST:PHONE            	(734) 232-8175
ST:SUBMIT_DATE      	08/08/2014 02:01:21 PM
ST:NUM_GROUPS       	6
ST:TOTAL_SUBJECTS   	16
ST:STUDY_COMMENTS   	
#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            	SU0004492	S00015469	Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:N | saline/HLF:Y | wt B6:Y	
SUBJECT_SAMPLE_FACTORS            	SU0004493	S00015470	Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:N | saline/HLF:Y | wt B6:Y	
SUBJECT_SAMPLE_FACTORS            	SU0004494	S00015471	Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y	
SUBJECT_SAMPLE_FACTORS            	SU0004495	S00015472	Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y	
SUBJECT_SAMPLE_FACTORS            	SU0004496	S00015473	Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y	
SUBJECT_SAMPLE_FACTORS            	SU0004497	S00015474	Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y	
SUBJECT_SAMPLE_FACTORS            	SU0004498	S00015475	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N	
SUBJECT_SAMPLE_FACTORS            	SU0004499	S00015476	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N	
SUBJECT_SAMPLE_FACTORS            	SU0004500	S00015477	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N	
SUBJECT_SAMPLE_FACTORS            	SU0004501	S00015478	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N	
SUBJECT_SAMPLE_FACTORS            	SU0004502	S00015479	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N	
SUBJECT_SAMPLE_FACTORS            	SU0004503	S00015480	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N	
SUBJECT_SAMPLE_FACTORS            	SU0004504	S00015481	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N	
SUBJECT_SAMPLE_FACTORS            	SU0004505	S00015482	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N	
SUBJECT_SAMPLE_FACTORS            	SU0004506	S00015483	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N	
SUBJECT_SAMPLE_FACTORS            	SU0004507	S00015484	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N	
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A011 - Glycolysis-TCA-nucleotides.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE            	Amino, Aminopropyl HILIC
CH:INSTRUMENT_NAME                	6520B Q-TOF LC/MS (Agilent)
CH:COLUMN_NAME                    	Luna NH2, 100A, 3mkm, 150mm X 1mm (Phenomenex)
CH:METHODS_FILENAME               	QTOF-002-HILIC-35min-1mm.m
#ANALYSIS
AN:ANALYSIS_TYPE                  	HRMS
AN:INSTRUMENT_NAME                	6520B Q-TOF LC/MS (Agilent)
AN:ANALYSIS_PROTOCOL_FILE         	A011 - Glycolysis-TCA-nucleotides.pdf
AN:ACQUISITION_PARAMETERS_FILE    	QTOF-002-HILIC-35min-1mm.m
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	QTOF
MS:MS_TYPE                        	ESI
MS:ION_MODE                       	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	uM
MS_METABOLITE_DATA_START
Sample	S00015469	S00015470	S00015471	S00015472	S00015473	S00015474	S00015475	S00015476	S00015477	S00015478	S00015479	S00015480	S00015481	S00015482	S00015483	S00015484
Factors	Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:N | saline/HLF:Y | wt B6:Y	Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:N | saline/HLF:Y | wt B6:Y	Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y	Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y	Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y	Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N	Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N
PHOSPHOENOLPYRUVATE							.0957662	.1273109	.262627	.1784907	.0631907	.1120064	.0970568	.2332775	.1411019	.139734
D-ERYTHROSE 4-PHOSPHATE	20.038248	18.463215	24.897075	41.339513	26.906668	18.936015	7.1859221	7.6633347	7.3595467	7.6626101	5.3614791	4.9663587	6.1584988	8.5746897	5.041	5.2846295
BETA-NAD+	.0429542	.0213538	.0553099	.0122934		.0523494	2.0001918	1.884432	1.7880502	1.4416016	1.9292067	1.3798333	1.4030294	1.1507029	1.3779033	1.5333966
COENZYME II	.306565	.37369	.4093067	.2941398	.2866139	.3482391	.1601165	.1517684	.1488863	.157594	.145193	.2324267	.2723429	.2253776	.3245565	.2858331
SEDOHEPTULOSE 7-PHOSPHATE	5.9628209	6.2185794	9.420146	13.688768	9.2061606	6.6865866	.8841395	.7139528	.8641375	.7320475	.7306849	1.154272	1.2961419	1.5113028	1.5292353	1.4073574
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)	6.3723916	5.439822	9.3443261	15.561284	10.959178	7.0867371	11.364279	10.741573	11.156786	10.313154	11.226625	11.72122	12.380766	10.183232	9.9282018	10.864181
NADP-REDUCED		.0755421					.4728172	.4615219	.5132325	.4266329	.4589753	.8275916	.8698826	.954375	.6208281	.8070651
CITRIC ACID	15.595332	16.849292	23.983276	30.592716	21.22123	18.118261	5.8991654	5.7512861	5.9812548	5.7826572	5.754673	4.2949692	4.575296	3.8840375	3.3337491	3.8567326
NADH	.1592711	.116138	.1871239	.2157112	.1964078	.1747716	.7820604	1.5548812	1.6838621	1.6165801	.8676868	.3096472	.3762415	.5646147	.4539162	.3929547
ACETYL-COA	.1490353	.1692829	.1256338	.0944061	.1456283	.1520306	.0325782	.0110472	.0198041	.0312529	.0276192	.0257642	.0128234	.0107122	.0165798	.0128476
FAD	.563794	.5387095	.5867344	.6589072	.5708251	.488485	.0958641	.1210101	.1205986	.108877	.108084	.1980292	.1795314	.2030527	.1894987	.1953024
MALIC ACID	58.547583	61.338201	107.90417	158.99348	112.05654	77.08009	5.8923572	4.9490797	5.7228991	5.8795718	6.0309487	5.9355426	7.1125568	8.3023407	6.9307845	7.2478374
ADENOSINE TRIPHOSPHATE	1.1035712	.5494341	1.4067392	1.8128907	1.3925519	1.0409066	24.264502	22.058601	19.217528	20.123856	21.504412	11.199269	12.616523	11.129699	9.3763254	11.262628
ROBISON ESTER	32.102187	29.382406	36.974363	60.61004	41.203271	26.926794	5.6627556	3.1875173	3.2625985	2.8042734	2.953797	5.281643	5.8430044	7.5404443	3.8791709	4.7753611
SUCROSE	.988763	.9008241	.9309666	1.2047016	1.4064805	.8448488	1.4053597	1.3931808	1.52942	1.4947303	1.2299552	.844104	.95206	1.4246512	.9968124	.9296339
ADENOSINE 5'-DIPHOSPHATE	5.4226688	4.6860995	7.2679813	6.4957224	7.0485665	5.495183	4.6881385	4.5222835	3.6985387	4.1268358	3.8255866	5.6181899	5.8949762	5.8488405	5.8450959	6.2206817
ADENOSINE 5'-MONOPHOSPHATE	407.22294	326.80863	139.18028	84.540786	217.29523	203.80003	28.270338	24.158615	22.726548	24.919884	24.324044	79.370131	92.896699	80.242521	117.29868	110.32047
GLYCERATE 3-PHOSPHATE	.6900139	.6752874	.8682791	1.128289	1.1246906	.8061432	1.1185312	1.337023	1.5968898	1.4706157	1.0635177	1.0550395	1.1363625	1.6313113	1.3067948	1.2689223
RIBOSE PHOSPHATE	13.095815	13.163072	22.114275	40.000622	27.709286	15.878479	6.3307028	6.2182392	9.6119573	6.5955613	7.3134732	6.6111134	8.8571162	11.821992	7.2819838	9.6029894
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
PHOSPHOENOLPYRUVATE				1005				
D-ERYTHROSE 4-PHOSPHATE				122357				
BETA-NAD+				15938971				
COENZYME II				15938972				
SEDOHEPTULOSE 7-PHOSPHATE				165007				
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)				21125049				
NADP-REDUCED				22833512				
CITRIC ACID				311				
NADH				439153				
ACETYL-COA				444493				
FAD				46906035				
MALIC ACID				525				
ADENOSINE TRIPHOSPHATE				5957				
ROBISON ESTER				5958				
SUCROSE				5988				
ADENOSINE 5'-DIPHOSPHATE				6022				
ADENOSINE 5'-MONOPHOSPHATE				6083				
GLYCERATE 3-PHOSPHATE				724				
RIBOSE PHOSPHATE				77982				
METABOLITES_END
