#METABOLOMICS WORKBENCH kuppal2_20150403_9314611_mwtab.txt DATATRACK_ID:226 STUDY_ID:ST000163 ANALYSIS_ID:AN000255 PROJECT_ID:PR000141 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Metabolomics of 50 healthy humans and common marmosets PR:PROJECT_SUMMARY - PR:INSTITUTE Emory University PR:DEPARTMENT Department of Medicine PR:LABORATORY Clinical Biomarkers Laboratory PR:LAST_NAME Jones PR:FIRST_NAME Dean PR:ADDRESS Whitehead Biomedical Research Building, Rm 225, 621 Michael Street, Atlanta, GA PR:EMAIL kuppal2@emory.edu PR:PHONE - #STUDY ST:STUDY_TITLE Metabolomics of 50 healthy humans and common marmosets (MetabNet) ST:STUDY_TYPE Healthy subjects ST:STUDY_SUMMARY - ST:INSTITUTE Emory University ST:DEPARTMENT Department of Medicine ST:LABORATORY Clinical Biomarkers Laboratory ST:LAST_NAME Uppal ST:FIRST_NAME Karan ST:ADDRESS Whitehead Biomedical Research Building, Rm 225, 621 Michael Street, Atlanta, GA ST:EMAIL kuppal2@emory.edu ST:PHONE - ST:TOTAL_SUBJECTS 100 #SUBJECT SU:SUBJECT_TYPE Human;Callithrix jacchus SU:SUBJECT_SPECIES Homo sapiens;Callithrix jacchus SU:TAXONOMY_ID 9606|9483 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS H1 VT_130304_014 Species:Human SUBJECT_SAMPLE_FACTORS H1 VT_130304_016 Species:Human SUBJECT_SAMPLE_FACTORS H1 VT_130304_018 Species:Human SUBJECT_SAMPLE_FACTORS H2 VT_130304_020 Species:Human SUBJECT_SAMPLE_FACTORS H2 VT_130304_022 Species:Human SUBJECT_SAMPLE_FACTORS H2 VT_130304_024 Species:Human SUBJECT_SAMPLE_FACTORS H3 VT_130304_026 Species:Human SUBJECT_SAMPLE_FACTORS H3 VT_130304_028 Species:Human SUBJECT_SAMPLE_FACTORS H3 VT_130304_030 Species:Human SUBJECT_SAMPLE_FACTORS H4 VT_130304_032 Species:Human SUBJECT_SAMPLE_FACTORS H4 VT_130304_034 Species:Human SUBJECT_SAMPLE_FACTORS H4 VT_130304_036 Species:Human SUBJECT_SAMPLE_FACTORS H5 VT_130304_038 Species:Human SUBJECT_SAMPLE_FACTORS H5 VT_130304_040 Species:Human SUBJECT_SAMPLE_FACTORS H5 VT_130304_042 Species:Human SUBJECT_SAMPLE_FACTORS H6 VT_130304_044 Species:Human SUBJECT_SAMPLE_FACTORS H6 VT_130304_046 Species:Human SUBJECT_SAMPLE_FACTORS H6 VT_130304_048 Species:Human SUBJECT_SAMPLE_FACTORS H7 VT_130304_050 Species:Human SUBJECT_SAMPLE_FACTORS H7 VT_130304_052 Species:Human SUBJECT_SAMPLE_FACTORS H7 VT_130304_054 Species:Human SUBJECT_SAMPLE_FACTORS H8 VT_130304_056 Species:Human SUBJECT_SAMPLE_FACTORS H8 VT_130304_058 Species:Human SUBJECT_SAMPLE_FACTORS H8 VT_130304_060 Species:Human SUBJECT_SAMPLE_FACTORS H9 VT_130304_062 Species:Human SUBJECT_SAMPLE_FACTORS H9 VT_130304_064 Species:Human SUBJECT_SAMPLE_FACTORS H9 VT_130304_066 Species:Human SUBJECT_SAMPLE_FACTORS H10 VT_130304_068 Species:Human SUBJECT_SAMPLE_FACTORS H10 VT_130304_070 Species:Human SUBJECT_SAMPLE_FACTORS H10 VT_130304_072 Species:Human SUBJECT_SAMPLE_FACTORS H11 VT_130304_074 Species:Human SUBJECT_SAMPLE_FACTORS H11 VT_130304_076 Species:Human SUBJECT_SAMPLE_FACTORS H11 VT_130304_078 Species:Human SUBJECT_SAMPLE_FACTORS H12 VT_130304_080 Species:Human SUBJECT_SAMPLE_FACTORS H12 VT_130304_082 Species:Human SUBJECT_SAMPLE_FACTORS H12 VT_130304_084 Species:Human SUBJECT_SAMPLE_FACTORS H13 VT_130304_086 Species:Human SUBJECT_SAMPLE_FACTORS H13 VT_130304_088 Species:Human SUBJECT_SAMPLE_FACTORS H13 VT_130304_090 Species:Human SUBJECT_SAMPLE_FACTORS H14 VT_130304_092 Species:Human SUBJECT_SAMPLE_FACTORS H14 VT_130304_094 Species:Human SUBJECT_SAMPLE_FACTORS H14 VT_130304_096 Species:Human SUBJECT_SAMPLE_FACTORS H15 VT_130304_098 Species:Human SUBJECT_SAMPLE_FACTORS H15 VT_130304_100 Species:Human SUBJECT_SAMPLE_FACTORS H15 VT_130304_102 Species:Human SUBJECT_SAMPLE_FACTORS H16 VT_130304_104 Species:Human SUBJECT_SAMPLE_FACTORS H16 VT_130304_106 Species:Human SUBJECT_SAMPLE_FACTORS H16 VT_130304_108 Species:Human SUBJECT_SAMPLE_FACTORS H17 VT_130304_110 Species:Human SUBJECT_SAMPLE_FACTORS H17 VT_130304_112 Species:Human SUBJECT_SAMPLE_FACTORS H17 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VT_130306_024 Species:Human SUBJECT_SAMPLE_FACTORS H24 VT_130306_026 Species:Human SUBJECT_SAMPLE_FACTORS H24 VT_130306_028 Species:Human SUBJECT_SAMPLE_FACTORS H24 VT_130306_030 Species:Human SUBJECT_SAMPLE_FACTORS H25 VT_130306_032 Species:Human SUBJECT_SAMPLE_FACTORS H25 VT_130306_034 Species:Human SUBJECT_SAMPLE_FACTORS H25 VT_130306_036 Species:Human SUBJECT_SAMPLE_FACTORS H26 VT_130306_038 Species:Human SUBJECT_SAMPLE_FACTORS H26 VT_130306_040 Species:Human SUBJECT_SAMPLE_FACTORS H26 VT_130306_042 Species:Human SUBJECT_SAMPLE_FACTORS H27 VT_130306_044 Species:Human SUBJECT_SAMPLE_FACTORS H27 VT_130306_046 Species:Human SUBJECT_SAMPLE_FACTORS H27 VT_130306_048 Species:Human SUBJECT_SAMPLE_FACTORS H28 VT_130306_050 Species:Human SUBJECT_SAMPLE_FACTORS H28 VT_130306_052 Species:Human SUBJECT_SAMPLE_FACTORS H28 VT_130306_054 Species:Human SUBJECT_SAMPLE_FACTORS H29 VT_130306_056 Species:Human SUBJECT_SAMPLE_FACTORS H29 VT_130306_058 Species:Human SUBJECT_SAMPLE_FACTORS H29 VT_130306_060 Species:Human SUBJECT_SAMPLE_FACTORS H30 VT_130306_062 Species:Human SUBJECT_SAMPLE_FACTORS H30 VT_130306_064 Species:Human SUBJECT_SAMPLE_FACTORS H30 VT_130306_066 Species:Human SUBJECT_SAMPLE_FACTORS H31 VT_130306_068 Species:Human SUBJECT_SAMPLE_FACTORS H31 VT_130306_070 Species:Human SUBJECT_SAMPLE_FACTORS H31 VT_130306_072 Species:Human SUBJECT_SAMPLE_FACTORS H32 VT_130306_074 Species:Human SUBJECT_SAMPLE_FACTORS H32 VT_130306_076 Species:Human SUBJECT_SAMPLE_FACTORS H32 VT_130306_078 Species:Human SUBJECT_SAMPLE_FACTORS H33 VT_130306_080 Species:Human SUBJECT_SAMPLE_FACTORS H33 VT_130306_082 Species:Human SUBJECT_SAMPLE_FACTORS H33 VT_130306_084 Species:Human SUBJECT_SAMPLE_FACTORS H34 VT_130306_086 Species:Human SUBJECT_SAMPLE_FACTORS H34 VT_130306_088 Species:Human SUBJECT_SAMPLE_FACTORS H34 VT_130306_090 Species:Human SUBJECT_SAMPLE_FACTORS H35 VT_130306_092 Species:Human SUBJECT_SAMPLE_FACTORS H35 VT_130306_094 Species:Human SUBJECT_SAMPLE_FACTORS H35 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VT_130307_048 Species:Human SUBJECT_SAMPLE_FACTORS H48 VT_130307_050 Species:Human SUBJECT_SAMPLE_FACTORS H48 VT_130307_052 Species:Human SUBJECT_SAMPLE_FACTORS H48 VT_130307_054 Species:Human SUBJECT_SAMPLE_FACTORS H49 VT_130307_056 Species:Human SUBJECT_SAMPLE_FACTORS H49 VT_130307_058 Species:Human SUBJECT_SAMPLE_FACTORS H49 VT_130307_060 Species:Human SUBJECT_SAMPLE_FACTORS H50 VT_130307_062 Species:Human SUBJECT_SAMPLE_FACTORS H50 VT_130307_064 Species:Human SUBJECT_SAMPLE_FACTORS H50 VT_130307_066 Species:Human SUBJECT_SAMPLE_FACTORS M38 VT_120217_014 Species:Marmoset SUBJECT_SAMPLE_FACTORS M39 VT_120217_016 Species:Marmoset SUBJECT_SAMPLE_FACTORS M40 VT_120217_018 Species:Marmoset SUBJECT_SAMPLE_FACTORS M41 VT_120217_020 Species:Marmoset SUBJECT_SAMPLE_FACTORS M42 VT_120217_022 Species:Marmoset SUBJECT_SAMPLE_FACTORS M43 VT_120217_024 Species:Marmoset SUBJECT_SAMPLE_FACTORS M44 VT_120217_026 Species:Marmoset SUBJECT_SAMPLE_FACTORS M45 VT_120217_028 Species:Marmoset SUBJECT_SAMPLE_FACTORS M46 VT_120217_030 Species:Marmoset SUBJECT_SAMPLE_FACTORS M47 VT_120217_044 Species:Marmoset SUBJECT_SAMPLE_FACTORS M48 VT_120217_046 Species:Marmoset SUBJECT_SAMPLE_FACTORS M49 VT_120217_048 Species:Marmoset SUBJECT_SAMPLE_FACTORS M50 VT_120217_068 Species:Marmoset SUBJECT_SAMPLE_FACTORS M51 VT_120217_070 Species:Marmoset SUBJECT_SAMPLE_FACTORS M52 VT_120217_072 Species:Marmoset SUBJECT_SAMPLE_FACTORS M53 VT_120217_086 Species:Marmoset SUBJECT_SAMPLE_FACTORS M54 VT_120217_088 Species:Marmoset SUBJECT_SAMPLE_FACTORS M55 VT_120217_090 Species:Marmoset SUBJECT_SAMPLE_FACTORS M56 VT_120217_104 Species:Marmoset SUBJECT_SAMPLE_FACTORS M57 VT_120217_106 Species:Marmoset SUBJECT_SAMPLE_FACTORS M58 VT_120217_108 Species:Marmoset SUBJECT_SAMPLE_FACTORS M59 VT_120217_110 Species:Marmoset SUBJECT_SAMPLE_FACTORS M60 VT_120217_112 Species:Marmoset SUBJECT_SAMPLE_FACTORS M61 VT_120217_114 Species:Marmoset SUBJECT_SAMPLE_FACTORS M62 VT_120218_014 Species:Marmoset SUBJECT_SAMPLE_FACTORS M63 VT_120218_016 Species:Marmoset SUBJECT_SAMPLE_FACTORS M64 VT_120218_018 Species:Marmoset SUBJECT_SAMPLE_FACTORS M65 VT_120218_020 Species:Marmoset SUBJECT_SAMPLE_FACTORS M66 VT_120218_022 Species:Marmoset SUBJECT_SAMPLE_FACTORS M67 VT_120218_024 Species:Marmoset SUBJECT_SAMPLE_FACTORS M68 VT_120218_044 Species:Marmoset SUBJECT_SAMPLE_FACTORS M69 VT_120218_046 Species:Marmoset SUBJECT_SAMPLE_FACTORS M70 VT_120218_048 Species:Marmoset SUBJECT_SAMPLE_FACTORS M71 VT_120218_092 Species:Marmoset SUBJECT_SAMPLE_FACTORS M72 VT_120218_094 Species:Marmoset SUBJECT_SAMPLE_FACTORS M73 VT_120218_096 Species:Marmoset SUBJECT_SAMPLE_FACTORS M74 VT_120218_098 Species:Marmoset SUBJECT_SAMPLE_FACTORS M75 VT_120218_100 Species:Marmoset SUBJECT_SAMPLE_FACTORS M76 VT_120218_102 Species:Marmoset SUBJECT_SAMPLE_FACTORS M77 VT_120218_104 Species:Marmoset SUBJECT_SAMPLE_FACTORS M78 VT_120218_106 Species:Marmoset SUBJECT_SAMPLE_FACTORS M79 VT_120218_108 Species:Marmoset SUBJECT_SAMPLE_FACTORS M80 VT_120218_110 Species:Marmoset SUBJECT_SAMPLE_FACTORS M81 VT_120218_112 Species:Marmoset SUBJECT_SAMPLE_FACTORS M82 VT_120218_114 Species:Marmoset SUBJECT_SAMPLE_FACTORS M83 VT_120218_122 Species:Marmoset SUBJECT_SAMPLE_FACTORS M84 VT_120218_124 Species:Marmoset SUBJECT_SAMPLE_FACTORS M85 VT_120218_126 Species:Marmoset SUBJECT_SAMPLE_FACTORS M137 VT_120222_008 Species:Marmoset SUBJECT_SAMPLE_FACTORS M138 VT_120222_010 Species:Marmoset SUBJECT_SAMPLE_FACTORS M139 VT_120222_012 Species:Marmoset SUBJECT_SAMPLE_FACTORS M140 VT_120222_080 Species:Marmoset SUBJECT_SAMPLE_FACTORS M141 VT_120222_082 Species:Marmoset SUBJECT_SAMPLE_FACTORS M142 VT_120222_084 Species:Marmoset SUBJECT_SAMPLE_FACTORS M143 VT_120222_098 Species:Marmoset SUBJECT_SAMPLE_FACTORS M144 VT_120222_100 Species:Marmoset SUBJECT_SAMPLE_FACTORS M145 VT_120222_102 Species:Marmoset SUBJECT_SAMPLE_FACTORS M146 VT_120222_116 Species:Marmoset SUBJECT_SAMPLE_FACTORS M147 VT_120222_118 Species:Marmoset SUBJECT_SAMPLE_FACTORS M148 VT_120222_120 Species:Marmoset SUBJECT_SAMPLE_FACTORS M1 VT_120229_020 Species:Marmoset SUBJECT_SAMPLE_FACTORS M1 VT_120229_022 Species:Marmoset SUBJECT_SAMPLE_FACTORS M1 VT_120229_024 Species:Marmoset SUBJECT_SAMPLE_FACTORS M2 VT_120229_044 Species:Marmoset SUBJECT_SAMPLE_FACTORS M3 VT_120229_046 Species:Marmoset SUBJECT_SAMPLE_FACTORS M4 VT_120229_048 Species:Marmoset SUBJECT_SAMPLE_FACTORS M5 VT_120229_068 Species:Marmoset SUBJECT_SAMPLE_FACTORS M6 VT_120229_070 Species:Marmoset SUBJECT_SAMPLE_FACTORS M7 VT_120229_072 Species:Marmoset SUBJECT_SAMPLE_FACTORS M8 VT_120229_074 Species:Marmoset SUBJECT_SAMPLE_FACTORS M9 VT_120229_076 Species:Marmoset SUBJECT_SAMPLE_FACTORS M10 VT_120229_078 Species:Marmoset SUBJECT_SAMPLE_FACTORS M11 VT_120229_122 Species:Marmoset SUBJECT_SAMPLE_FACTORS M12 VT_120229_124 Species:Marmoset SUBJECT_SAMPLE_FACTORS M13 VT_120229_126 Species:Marmoset SUBJECT_SAMPLE_FACTORS M14 VT_120229_128 Species:Marmoset SUBJECT_SAMPLE_FACTORS M15 VT_120229_130 Species:Marmoset SUBJECT_SAMPLE_FACTORS M16 VT_120229_132 Species:Marmoset SUBJECT_SAMPLE_FACTORS M17 VT_120301_020 Species:Marmoset SUBJECT_SAMPLE_FACTORS M18 VT_120301_022 Species:Marmoset SUBJECT_SAMPLE_FACTORS M19 VT_120301_024 Species:Marmoset SUBJECT_SAMPLE_FACTORS M20 VT_120301_050 Species:Marmoset SUBJECT_SAMPLE_FACTORS M21 VT_120301_052 Species:Marmoset SUBJECT_SAMPLE_FACTORS M22 VT_120301_054 Species:Marmoset SUBJECT_SAMPLE_FACTORS M23 VT_120301_056 Species:Marmoset SUBJECT_SAMPLE_FACTORS M24 VT_120301_058 Species:Marmoset SUBJECT_SAMPLE_FACTORS M25 VT_120301_060 Species:Marmoset SUBJECT_SAMPLE_FACTORS M26 VT_120302_020 Species:Marmoset SUBJECT_SAMPLE_FACTORS M27 VT_120302_022 Species:Marmoset SUBJECT_SAMPLE_FACTORS M28 VT_120302_024 Species:Marmoset SUBJECT_SAMPLE_FACTORS M29 VT_120302_044 Species:Marmoset SUBJECT_SAMPLE_FACTORS M30 VT_120302_046 Species:Marmoset SUBJECT_SAMPLE_FACTORS M31 VT_120302_048 Species:Marmoset SUBJECT_SAMPLE_FACTORS M32 VT_120302_068 Species:Marmoset SUBJECT_SAMPLE_FACTORS M33 VT_120302_070 Species:Marmoset SUBJECT_SAMPLE_FACTORS M34 VT_120302_072 Species:Marmoset SUBJECT_SAMPLE_FACTORS M35 VT_120302_098 Species:Marmoset SUBJECT_SAMPLE_FACTORS M36 VT_120302_100 Species:Marmoset SUBJECT_SAMPLE_FACTORS M37 VT_120302_102 Species:Marmoset SUBJECT_SAMPLE_FACTORS M86 VT_120305_008 Species:Marmoset SUBJECT_SAMPLE_FACTORS M87 VT_120305_010 Species:Marmoset SUBJECT_SAMPLE_FACTORS M88 VT_120305_012 Species:Marmoset SUBJECT_SAMPLE_FACTORS M89 VT_120305_026 Species:Marmoset SUBJECT_SAMPLE_FACTORS M90 VT_120305_028 Species:Marmoset SUBJECT_SAMPLE_FACTORS M91 VT_120305_030 Species:Marmoset SUBJECT_SAMPLE_FACTORS M92 VT_120305_032 Species:Marmoset SUBJECT_SAMPLE_FACTORS M93 VT_120305_034 Species:Marmoset SUBJECT_SAMPLE_FACTORS M94 VT_120305_036 Species:Marmoset SUBJECT_SAMPLE_FACTORS M95 VT_120305_074 Species:Marmoset SUBJECT_SAMPLE_FACTORS M96 VT_120305_076 Species:Marmoset SUBJECT_SAMPLE_FACTORS M97 VT_120305_078 Species:Marmoset SUBJECT_SAMPLE_FACTORS M98 VT_120305_080 Species:Marmoset SUBJECT_SAMPLE_FACTORS M99 VT_120305_082 Species:Marmoset SUBJECT_SAMPLE_FACTORS M100 VT_120305_084 Species:Marmoset SUBJECT_SAMPLE_FACTORS M101 VT_120305_086 Species:Marmoset SUBJECT_SAMPLE_FACTORS M102 VT_120305_088 Species:Marmoset SUBJECT_SAMPLE_FACTORS M103 VT_120305_090 Species:Marmoset SUBJECT_SAMPLE_FACTORS M104 VT_120305_122 Species:Marmoset SUBJECT_SAMPLE_FACTORS M105 VT_120305_124 Species:Marmoset SUBJECT_SAMPLE_FACTORS M106 VT_120305_126 Species:Marmoset SUBJECT_SAMPLE_FACTORS M107 VT_120306_008 Species:Marmoset SUBJECT_SAMPLE_FACTORS M108 VT_120306_010 Species:Marmoset SUBJECT_SAMPLE_FACTORS M109 VT_120306_012 Species:Marmoset SUBJECT_SAMPLE_FACTORS M110 VT_120306_014 Species:Marmoset SUBJECT_SAMPLE_FACTORS M111 VT_120306_016 Species:Marmoset SUBJECT_SAMPLE_FACTORS M112 VT_120306_018 Species:Marmoset SUBJECT_SAMPLE_FACTORS M113 VT_120306_020 Species:Marmoset SUBJECT_SAMPLE_FACTORS M114 VT_120306_022 Species:Marmoset SUBJECT_SAMPLE_FACTORS M115 VT_120306_024 Species:Marmoset SUBJECT_SAMPLE_FACTORS M116 VT_120306_026 Species:Marmoset SUBJECT_SAMPLE_FACTORS M117 VT_120306_028 Species:Marmoset SUBJECT_SAMPLE_FACTORS M118 VT_120306_030 Species:Marmoset SUBJECT_SAMPLE_FACTORS M119 VT_120306_032 Species:Marmoset SUBJECT_SAMPLE_FACTORS M120 VT_120306_034 Species:Marmoset SUBJECT_SAMPLE_FACTORS M121 VT_120306_036 Species:Marmoset SUBJECT_SAMPLE_FACTORS M122 VT_120306_086 Species:Marmoset SUBJECT_SAMPLE_FACTORS M123 VT_120306_088 Species:Marmoset SUBJECT_SAMPLE_FACTORS M124 VT_120306_090 Species:Marmoset SUBJECT_SAMPLE_FACTORS M125 VT_120306_110 Species:Marmoset SUBJECT_SAMPLE_FACTORS M126 VT_120306_112 Species:Marmoset SUBJECT_SAMPLE_FACTORS M127 VT_120306_114 Species:Marmoset SUBJECT_SAMPLE_FACTORS M128 VT_120307_026 Species:Marmoset SUBJECT_SAMPLE_FACTORS M129 VT_120307_028 Species:Marmoset SUBJECT_SAMPLE_FACTORS M130 VT_120307_030 Species:Marmoset SUBJECT_SAMPLE_FACTORS M131 VT_120307_056 Species:Marmoset SUBJECT_SAMPLE_FACTORS M132 VT_120307_058 Species:Marmoset SUBJECT_SAMPLE_FACTORS M133 VT_120307_060 Species:Marmoset SUBJECT_SAMPLE_FACTORS M134 VT_120307_098 Species:Marmoset SUBJECT_SAMPLE_FACTORS M135 VT_120307_100 Species:Marmoset SUBJECT_SAMPLE_FACTORS M136 VT_120307_102 Species:Marmoset #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY No treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY aliquots of 65ul sample were mixed with 130ul acetonitrile and 3.25ul internal SP:SAMPLEPREP_SUMMARY Vortex for 1 minute on high and leave on ice for 30 minutes. Centrifuge for 10 SP:SAMPLEPREP_SUMMARY at 13.2rpm. 130ul of supernatant was removed and placed into autosampler vials SP:SAMPLEPREP_SUMMARY the mass spectrometer. SP:PROCESSING_METHOD precipitation of protein, centrifuge, and remove supernatant SP:PROCESSING_STORAGE_CONDITIONS on ice SP:EXTRACTION_METHOD 1:2 sample:acetonitrile SP:EXTRACT_STORAGE supernatant pipette into autosampler vials for mass spectrometer SP:SAMPLE_SPIKING internal standards: [15N,13C5]-L-methionine, [2-15N]-L-lysine dihydrochloride, SP:SAMPLE_SPIKING chloride, [13C5]-L-glutamic acid, [13C7]-benzoic acid, [15N]-L-tyrosine, SP:SAMPLE_SPIKING [3,3-13C2]-cystine, [trimethyl-13C3]-caffeine, #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY untargeted dual chromatography (C18 and Anion Exchange column) CH:CHROMATOGRAPHY_TYPE Anion exchange/Reversed phase CH:INSTRUMENT_NAME Thermo Accela CTC CH:COLUMN_NAME Higgins C18 100x2.1mm, 5um; Hamilton Anion Exchange 100x2.1mm, 7um CH:METHODS_ID Methods_LTQVelosOrbi CH:METHODS_FILENAME Methods_LTQVelosOrbi CH:COLUMN_PRESSURE 200 Bar (max) CH:COLUMN_TEMPERATURE 30 CH:FLOW_GRADIENT C18: A% = 5% for 10 minutes, 0-2mins = 60% B, 2-6mins = gradient to 95% B, CH:FLOW_GRADIENT = 95% B; AE: 1-10mins = 50%B, 0-2mins = 5%A, 2-7mins = gradient to 50%A, CH:FLOW_GRADIENT = 50%A CH:FLOW_RATE 0.35 mL/min CH:INJECTION_TEMPERATURE 4C CH:SAMPLE_INJECTION 10ul CH:SAMPLING_CONE ESI CH:SOLVENT_A LC grade water with 2% Formic acid CH:SOLVENT_B LC grade acetonitrile CH:ANALYTICAL_TIME LC grade water CH:CAPILLARY_VOLTAGE 10 minutes CH:MIGRATION_TIME 100uA (source current) CH:SHEATH_LIQUID 4.5kV (source voltage) CH:WEAK_WASH_SOLVENT_NAME water with 10% methanol CH:SAMPLE_SYRINGE_SIZE 20ul #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Clinical Biomarkers Laboratory, Emory University AN:ACQUISITION_DATE 3/4/2013 - 3//2013 AN:SOFTWARE_VERSION Xcalibur 2.2 AN:OPERATOR_NAME ViLinh Tran AN:DETECTOR_TYPE Orbitrap AN:DATA_FORMAT .raw #MS MS:INSTRUMENT_NAME Thermo LTQ MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:CAPILLARY_TEMPERATURE 4.45 MS:COLLISION_ENERGY N2 MS:FRAGMENTATION_METHOD 50psi MS:ION_SPRAY_VOLTAGE electrospray ionization MS:IONIZATION_POTENTIAL 5ppm MS:REAGENT_GAS 48 MS:ATOM_GUN_CURRENT 1000000 MS:CDL_TEMPERATURE .raw MS:SAMPLE_DRIPPING 85-2000 MS:MS_COMMENTS technical triplicates for each sample MS:MS_RESULTS_FILE ST000163_AN000255_Results.txt UNITS:intensity Has m/z:Yes Has RT:Yes #END