#METABOLOMICS WORKBENCH araskind_20170619_112108 DATATRACK_ID:996 STUDY_ID:ST000699 ANALYSIS_ID:AN001087 PROJECT_ID:PR000496 VERSION 1 CREATED_ON July 1, 2017, 4:55 pm #PROJECT PR:PROJECT_TITLE Comparative Vitreous Analysis PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Human vitreous collected in OR PR:INSTITUTE University of Michigan PR:DEPARTMENT Ophthalmology PR:LABORATORY Gardner PR:LAST_NAME Gardner PR:FIRST_NAME Thomas PR:ADDRESS Ann Arbor, MI PR:EMAIL tomwgard@umich.edu PR:PHONE 734-232-8283 #STUDY ST:STUDY_TITLE Human vitreous amino acid & lipid analysis ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Human vitreous was collected in the OR at time of indicated surgery. No ST:STUDY_SUMMARY treatments were involved. Diagnoses are: epiretinal membranes (ERM); ST:STUDY_SUMMARY proliferative diabetic retinopathy (PDR); retinal detachment (RD) 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:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 3 #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 SU0012423 S00018821 Diagnosis:ERM SUBJECT_SAMPLE_FACTORS SU0012423 S00018822 Diagnosis:ERM SUBJECT_SAMPLE_FACTORS SU0012423 S00018823 Diagnosis:ERM SUBJECT_SAMPLE_FACTORS SU0012423 S00018824 Diagnosis:ERM SUBJECT_SAMPLE_FACTORS SU0012423 S00018825 Diagnosis:ERM SUBJECT_SAMPLE_FACTORS SU0012424 S00018826 Diagnosis:PDR SUBJECT_SAMPLE_FACTORS SU0012424 S00018827 Diagnosis:PDR SUBJECT_SAMPLE_FACTORS SU0012424 S00018828 Diagnosis:PDR SUBJECT_SAMPLE_FACTORS SU0012424 S00018829 Diagnosis:PDR SUBJECT_SAMPLE_FACTORS SU0012425 S00018830 Diagnosis:RD SUBJECT_SAMPLE_FACTORS SU0012425 S00018831 Diagnosis:RD SUBJECT_SAMPLE_FACTORS SU0012425 S00018832 Diagnosis:RD SUBJECT_SAMPLE_FACTORS SU0012425 S00018833 Diagnosis:RD SUBJECT_SAMPLE_FACTORS SU0012425 S00018834 Diagnosis:RD #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A004 - Shotgun Lipidomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890N CH:COLUMN_NAME Phenomenex Zebron ZB-AAA Amino Acid Analysis 10m x 0.25mm #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A005 - Amino Acids.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 5975 MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uM MS_METABOLITE_DATA_START Samples S00018821 S00018822 S00018823 S00018824 S00018825 S00018826 S00018827 S00018828 S00018829 S00018830 S00018831 S00018832 S00018833 S00018834 Factors Diagnosis:ERM Diagnosis:ERM Diagnosis:ERM Diagnosis:ERM Diagnosis:ERM Diagnosis:PDR Diagnosis:PDR Diagnosis:PDR Diagnosis:PDR Diagnosis:RD Diagnosis:RD Diagnosis:RD Diagnosis:RD Diagnosis:RD SARCOSINE .203038158 .177928813 .034883882 .310595132 L-PROLINE 7.062115984 29.33464394 5.634530694 8.369700567 69.79815391 26.37745179 99.14856487 55.76363095 20.48867674 16.68818551 7.095732106 13.62761937 6.399972155 7.822802194 L-GLUTAMIC ACID .696276264 2.772373075 1.415710345 5.789361181 3.841435421 2.420704942 2.039805603 3.810126035 6.23841892 4.304029148 1.74298978 2.111179618 1.462068157 L-ALANINE 102.8059833 133.855223 66.12947996 118.9550504 266.2368417 283.3710065 215.341368 154.5907811 158.7525895 239.1193164 121.7058626 228.8596834 178.9225074 88.09729282 L-SERINE 112.3992085 98.16411782 56.45120113 80.02804177 198.7144367 108.4256706 147.2300355 132.7255216 110.3911525 173.7619608 102.2175065 89.99484175 93.41674356 72.17580912 L-ASPARTIC ACID .523058528 .835079026 .210981939 .139965817 .799672668 1.064069445 1.083147346 .295655333 .474954104 1.598208338 .458030137 .315223565 .199328471 L-GLUTAMINE 338.1726019 708.2023411 418.5809792 468.3493212 1118.356761 429.1511836 466.4442953 772.9697342 477.5143929 473.5082656 1132.459142 902.3619078 500.6395054 457.0905651 L-LYSINE 92.92701847 151.8825639 116.7736122 98.38827143 269.4220311 283.3024336 149.1762518 202.1381262 182.1437851 285.2817189 191.8651456 234.0685988 142.1708651 156.6868126 L-TYROSINE 68.19896972 46.3761313 43.88320144 56.3861925 113.572035 65.4075228 67.74027096 83.70266734 39.68145923 29.63426898 55.06255868 39.47201624 49.10619046 21.49998516 L-LEUCINE 116.9488644 102.585636 71.70707235 88.88178264 194.1840704 139.0701841 139.2955642 156.4132073 116.1580319 62.91386431 68.76449893 97.46428558 94.45412328 48.45534119 2-AMINOISOBUTYRIC ACID 12.8118248 7.852637602 10.4182597 10.55056542 16.43572385 15.46715726 14.30266231 14.89424164 12.25568092 5.180103342 11.95405837 25.21498565 22.00308705 9.465787515 L-METHIONINE 9.560093655 12.6068927 10.1227177 13.79492939 30.1660323 15.61475442 25.90937881 21.34890185 17.32675068 4.995773337 19.27109016 19.4242904 20.10306152 9.285415679 L-PHENYLALANINE 100.7418492 50.10015065 50.85479016 78.38819359 135.8331604 73.20647339 100.3440167 83.06950581 69.66597893 45.05349605 64.33052693 80.91814125 62.21956609 29.59039221 L-ORNITHINE 11.30104294 14.70483797 11.0363999 12.77631248 43.96051802 22.05935576 27.72527574 28.25496914 12.74098822 43.79604936 27.70759783 14.93456527 15.70522199 18.69511137 L-ASPARAGINE 19.80516223 29.34852217 18.52886689 17.22438754 54.40650487 24.81060009 34.62612219 29.70299005 29.71856774 40.21722912 37.25694651 36.84623388 26.33694576 19.18240094 L-HISTIDINE 28.913395 38.62853769 34.9524126 37.83777751 169.8448826 54.93911056 93.47669838 60.66430663 37.03359699 24.94203465 46.08643699 13.98013219 24.36482811 21.2750986 L-VALINE 223.3342168 162.1165068 97.95467956 165.7331418 289.2173913 254.5835946 205.5647631 271.5389704 191.4276854 114.8989003 132.59171 170.3705576 183.9913645 91.4013253 L-THREONINE 63.69884552 78.68827743 67.42602247 89.21511734 138.0081388 53.9669628 100.5483041 118.0157271 76.77257766 100.0558859 98.03109211 89.85865702 79.7789531 48.11376065 L-TRYPTOPHAN 15.60203927 9.08525738 9.125109432 9.463927091 21.20986218 10.41431884 14.48723582 11.43266103 9.07186876 6.49856203 12.6511647 9.031582985 14.32887253 5.697368492 L-ISOLEUCINE 61.37141062 45.29575492 35.33079936 41.27875115 97.02108294 70.75874719 103.1649365 79.33886354 50.55695002 31.88189187 31.56018759 42.8697233 36.47055747 20.11611843 GLYCINE 4.092380073 7.263045325 2.05826744 2.224875918 28.35881817 4.859843776 31.51129919 12.4938948 7.175718097 25.38311478 4.194363498 7.258123564 3.228106142 3.688361962 4-HYDROXYPROLINE 2.112929841 3.536174938 3.360242003 3.149317278 9.302929768 4.6721707 7.979402329 5.205225733 3.883752057 2.816972379 1.053335125 1.904349271 2.226813346 1.470386207 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 SARCOSINE 1088 L-PROLINE 145742 L-GLUTAMIC ACID 33032 L-ALANINE 5950 L-SERINE 5951 L-ASPARTIC ACID 5960 L-GLUTAMINE 5961 L-LYSINE 5962 L-TYROSINE 6057 L-LEUCINE 6106 2-AMINOISOBUTYRIC ACID 6119 L-METHIONINE 6137 L-PHENYLALANINE 6140 L-ORNITHINE 6262 L-ASPARAGINE 6267 L-HISTIDINE 6274 L-VALINE 6287 L-THREONINE 6288 L-TRYPTOPHAN 6305 L-ISOLEUCINE 6306 GLYCINE 750 4-HYDROXYPROLINE 825 METABOLITES_END #END