#METABOLOMICS WORKBENCH gantrl_20180508_120844 DATATRACK_ID:1401 STUDY_ID:ST001029 ANALYSIS_ID:AN001688 PROJECT_ID:PR000687 VERSION 1 CREATED_ON August 1, 2018, 6:41 pm #PROJECT PR:PROJECT_TITLE An integrated, high-throughput strategy for multi-omic systems level analysis PR:PROJECT_SUMMARY This report details the automation, benchmarking, and application of a strategy PR:PROJECT_SUMMARY for transcriptomic, proteomic, and metabolomic analyses from a common sample. PR:PROJECT_SUMMARY The approach, Sample Preparation for multi-Omics Technologies (SPOT), provides PR:PROJECT_SUMMARY equivalent performance to typical individual omic preparation methods, but it PR:PROJECT_SUMMARY greatly enhances throughput and minimizes the resources required for multi-omic PR:PROJECT_SUMMARY experiments. SPOT was applied to a multi-omics time course experiment for PR:PROJECT_SUMMARY zinc-treated HL60 cells. PR:INSTITUTE Vanderbilt Univeristy PR:LAST_NAME Gant-branum PR:FIRST_NAME Randi PR:ADDRESS 2201 West End Ave, Nashville, TN 37235 PR:EMAIL randi.l.gant-branum@vanderbilt.edu PR:PHONE 9312065092 #STUDY ST:STUDY_TITLE An integrated, high-throughput strategy for multi-omic systems level analysis ST:STUDY_SUMMARY This report details the automation, benchmarking, and application of a strategy ST:STUDY_SUMMARY for transcriptomic, proteomic, and metabolomic analyses from a common sample. ST:STUDY_SUMMARY The approach, Sample Preparation for multi-Omics Technologies (SPOT), provides ST:STUDY_SUMMARY equivalent performance to typical individual omic preparation methods, but it ST:STUDY_SUMMARY greatly enhances throughput and minimizes the resources required for multi-omic ST:STUDY_SUMMARY experiments. SPOT was applied to a multi-omics time course experiment for ST:STUDY_SUMMARY zinc-treated HL60 cells. ST:INSTITUTE Vanderbilt University ST:DEPARTMENT Chemistry ST:LAST_NAME Gant-branum ST:FIRST_NAME Randi ST:ADDRESS 2201 West End Ave, Nashville, TN 37235 ST:EMAIL randi.l.gant-branum@vanderbilt.edu ST:PHONE 9312065092 ST:NUM_GROUPS 6 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Female SU:CELL_BIOSOURCE_OR_SUPPLIER ATCC SU:CELL_PRIMARY_IMMORTALIZED Yes SU:CELL_PASSAGE_NUMBER 12 SU:CELL_COUNTS 1 million/mL SU:SPECIES_GROUP human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - sds_20160509s_HL60_Zn_practice_1hr_Control1 time point:1 hr | sample type:Control technical replicate=1, reinject,2; biological replicate=1; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160509s_HL60_Zn_practice_1hr_Control2 time point:1 hr | sample type:Control technical replicate=1,2; biological replicate=2; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160509s_HL60_Zn_practice_1hr_Control3 time point:1 hr | sample type:Control technical replicate=1, reinject,2; biological replicate=3; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160509s_HL60_Zn_practice_1hr_Control4 time point:1 hr | sample type:Control technical replicate=1,2; biological replicate=4; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160509s_HL60_Zn_practice_1hr_QC time point:1 hr | sample type:QC technical replicate=1,2,3,5,6,7; biological replicate=NA; concentration=NA; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160509s_HL60_Zn_practice_1hr_Treated1 time point:1 hr | sample type:Treated technical replicate=1,2; biological replicate=1; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160509s_HL60_Zn_practice_1hr_Treated2 time point:1 hr | sample type:Treated technical replicate=1, reinject,2; biological replicate=2; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160509s_HL60_Zn_practice_1hr_Treated3 time point:1 hr | sample type:Treated technical replicate=1, reinject,2; biological replicate=3; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160509s_HL60_Zn_practice_1hr_Treated4 time point:1 hr | sample type:Treated technical replicate=1,2; biological replicate=4; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sgc_050516r_HL60_Zn1h_C_01 time point:1 hr | sample type:Control technical replicate=1; biological replicate=1; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - sgc_050516r_HL60_Zn1h_C_02 time point:1 hr | sample type:Control technical replicate=1; biological replicate=2; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - sgc_050516r_HL60_Zn1h_C_03 time point:1 hr | sample type:Control technical replicate=1; biological replicate=3; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - sgc_050516r_HL60_Zn1h_C_04 time point:1 hr | sample type:Control technical replicate=1; biological replicate=4; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - sgc_050516r_HL60_Zn1h_QC time point:1 hr | sample type:QC technical replicate=1,2,3,4,5,6,7; biological replicate=NA; concentration=NA; modality=RPLC SUBJECT_SAMPLE_FACTORS - sgc_050516r_HL60_Zn1h_T_01 time point:1 hr | sample type:Treated technical replicate=1; biological replicate=1; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - sgc_050516r_HL60_Zn1h_T_02 time point:1 hr | sample type:Treated technical replicate=1; biological replicate=2; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - sgc_050516r_HL60_Zn1h_T_03 time point:1 hr | sample type:Treated technical replicate=1; biological replicate=3; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - sgc_050516r_HL60_Zn1h_T_04 time point:1 hr | sample type:Treated technical replicate=1; biological replicate=4; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - sds_20160512s_HILIC_HL60_Zn_Practice_6hr_Con1 time point:6 hr | sample type:Control technical replicate=1,2; biological replicate=1; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160512s_HILIC_HL60_Zn_Practice_6hr_Con2 time point:6 hr | sample type:Control technical replicate=1,2; biological replicate=2; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160512s_HILIC_HL60_Zn_Practice_6hr_Con3 time point:6 hr | sample type:Control technical replicate=1,2; biological replicate=3; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160512s_HILIC_HL60_Zn_Practice_6hr_Con4 time point:6 hr | sample type:Control technical replicate=1,2; biological replicate=4; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160512s_HILIC_HL60_Zn_Practice_6hr_QC time point:6 hr | sample type:QC technical replicate=1,2,3,4,5; biological replicate=NA; concentration=NA; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160512s_HILIC_HL60_Zn_Practice_6hr_Treat1 time point:6 hr | sample type:Treated technical replicate=1,2; biological replicate=1; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160512s_HILIC_HL60_Zn_Practice_6hr_Treat2 time point:6 hr | sample type:Treated technical replicate=1,2; biological replicate=2; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160512s_HILIC_HL60_Zn_Practice_6hr_Treat3 time point:6 hr | sample type:Treated technical replicate=1,2; biological replicate=3; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160512s_HILIC_HL60_Zn_Practice_6hr_Treat4 time point:6 hr | sample type:Treated technical replicate=1,2; biological replicate=4; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - RGB_20160509r_RTA_1hr_Zn_HL60_challenge_TREAT01 time point:6 hr | sample type:Treated technical replicate=2; biological replicate=1; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - RGB_20160509r_RTA_6hr_Zn_HL60_challenge_CON01 time point:- | sample type:Control technical replicate=1,2; biological replicate=1; concentration=-; modality=- SUBJECT_SAMPLE_FACTORS - RGB_20160509r_RTA_6hr_Zn_HL60_challenge_CON02 time point:6 hr | sample type:Control technical replicate=1,2; biological replicate=2; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - RGB_20160509r_RTA_6hr_Zn_HL60_challenge_CON03 time point:6 hr | sample type:Control technical replicate=1,2; biological replicate=3; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - RGB_20160509r_RTA_6hr_Zn_HL60_challenge_CON04 time point:6 hr | sample type:Control technical replicate=1,2; biological replicate=4; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - RGB_20160509r_RTA_6hr_Zn_HL60_challenge_QC time point:6 hr | sample type:QC technical replicate=1,2,3,4,5,6,7; biological replicate=NA; concentration=NA; modality=RPLC SUBJECT_SAMPLE_FACTORS - RGB_20160509r_RTA_6hr_Zn_HL60_challenge_TREAT01 time point:6 hr | sample type:Treated technical replicate=1; biological replicate=1; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - RGB_20160509r_RTA_6hr_Zn_HL60_challenge_TREAT02 time point:6 hr | sample type:Treated technical replicate=1,2; biological replicate=2; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - RGB_20160509r_RTA_6hr_Zn_HL60_challenge_TREAT03 time point:6 hr | sample type:Treated technical replicate=1,2; biological replicate=3; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - RGB_20160509r_RTA_6hr_Zn_HL60_challenge_TREAT04 time point:6 hr | sample type:Treated technical replicate=1,2; biological replicate=4; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - sds_20160428s_18h_HILIC_Zn_HL60_challenge_Con1 time point:18 hr | sample type:Control technical replicate=1,2; biological replicate=1; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160428s_18h_HILIC_Zn_HL60_challenge_Con2 time point:18 hr | sample type:Control technical replicate=1,2; biological replicate=2; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160428s_18h_HILIC_Zn_HL60_challenge_Con3 time point:18 hr | sample type:Control technical replicate=1,2; biological replicate=3; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160428s_18h_HILIC_Zn_HL60_challenge_Treated1 time point:18 hr | sample type:Treated technical replicate=1,2; biological replicate=1; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160428s_18h_HILIC_Zn_HL60_challenge_Treated2 time point:18 hr | sample type:Treated technical replicate=1,2; biological replicate=2; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160428s_18h_HILIC_Zn_HL60_challenge_Treated3 time point:18 hr | sample type:Treated technical replicate=1,2; biological replicate=3; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160520s_18h_HILIC_Zn_HL60_challenge_rgb_QC_10uL_C18 time point:18 hr | sample type:QC technical replicate=1,2; biological replicate=NA; concentration=NA; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160520s_18h_Zn_HL60_challenge_rgb_QC time point:18 hr | sample type:QC technical replicate=1,2,3,4; biological replicate=NA; concentration=NA; modality=HILIC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_18Hr_Zn_HL60_challenge_CON01 time point:18 hr | sample type:Control technical replicate=1,2; biological replicate=1; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_18Hr_Zn_HL60_challenge_CON02 time point:18 hr | sample type:Control technical replicate=1,2; biological replicate=2; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_18Hr_Zn_HL60_challenge_CON03 time point:18 hr | sample type:Control technical replicate=1,2; biological replicate=3; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_18Hr_Zn_HL60_challenge_QC time point:18 hr | sample type:QC technical replicate=1,2,3,4,5,6; biological replicate=NA; concentration=NA; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_18Hr_Zn_HL60_challenge_TREAT01 time point:18 hr | sample type:Treated technical replicate=1,2; biological replicate=1; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_18Hr_Zn_HL60_challenge_TREAT02 time point:18 hr | sample type:Treated technical replicate=1,2; biological replicate=2; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_18Hr_Zn_HL60_challenge_TREAT03 time point:18 hr | sample type:Treated technical replicate=1,2; biological replicate=3; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - sds_20160428s_24h_HILIC_Zn_HL60_challenge_Con1 time point:24 hr | sample type:Control technical replicate=1,2; biological replicate=1; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160428s_24h_HILIC_Zn_HL60_challenge_Con2 time point:24 hr | sample type:Control technical replicate=1,2; biological replicate=2; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160428s_24h_HILIC_Zn_HL60_challenge_Con3 time point:24 hr | sample type:Control technical replicate=1,2; biological replicate=3; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160428s_24h_HILIC_Zn_HL60_challenge_Con4 time point:24 hr | sample type:Control technical replicate=1,2; biological replicate=4; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160428s_24h_HILIC_Zn_HL60_challenge_Treated1 time point:24 hr | sample type:Treated technical replicate=1,2; biological replicate=1; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160428s_24h_HILIC_Zn_HL60_challenge_Treated2 time point:24 hr | sample type:Treated technical replicate=1,2; biological replicate=2; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160428s_24h_HILIC_Zn_HL60_challenge_Treated3 time point:24 hr | sample type:Treated technical replicate=1,2; biological replicate=3; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160428s_24h_HILIC_Zn_HL60_challenge_Treated4 time point:24 hr | sample type:Treated technical replicate=1,2; biological replicate=4; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160520s_24h_HILIC_Zn_HL60_challenge_rgb_QC_10uL_C18 time point:24 hr | sample type:QC technical replicate=1,2; biological replicate=NA; concentration=NA; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160521s_24h_HILIC_Zn_HL60_challenge_rgb_QC_10uL_05 time point:24 hr | sample type:QC technical replicate=-; biological replicate=NA; concentration=NA; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160521s_24h_Zn_HL60_challenge_rgb_QC time point:24 hr | sample type:QC technical replicate=1,2,3,4; biological replicate=NA; concentration=NA; modality=HILIC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_24Hr_Zn_HL60_challenge_CON01 time point:24 hr | sample type:Control technical replicate=1,2; biological replicate=1; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_24Hr_Zn_HL60_challenge_CON02 time point:24 hr | sample type:Control technical replicate=1,2; biological replicate=2; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_24Hr_Zn_HL60_challenge_CON03 time point:24 hr | sample type:Control technical replicate=1,2; biological replicate=3; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_24Hr_Zn_HL60_challenge_CON04 time point:24 hr | sample type:Control technical replicate=1,2; biological replicate=4; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_24Hr_Zn_HL60_challenge_QC time point:24 hr | sample type:QC technical replicate=1,2,3,4,5,6,7; biological replicate=NA; concentration=NA; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_24Hr_Zn_HL60_challenge_QCRM time point:24 hr | sample type:QC technical replicate=-; biological replicate=-; concentration=NA; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_24Hr_Zn_HL60_challenge_TREAT01 time point:24 hr | sample type:Treated technical replicate=1,2; biological replicate=1; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_24Hr_Zn_HL60_challenge_TREAT02 time point:24 hr | sample type:Treated technical replicate=1,2; biological replicate=2; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_24Hr_Zn_HL60_challenge_TREAT03 time point:24 hr | sample type:Treated technical replicate=1,2; biological replicate=3; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160511_RTA_24Hr_Zn_HL60_challenge_TREAT04 time point:24 hr | sample type:Treated technical replicate=1,2; biological replicate=4; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - sds_20160606s_36h_HILIC_Zn_HL60_challenge_Con1 time point:36 hr | sample type:Control technical replicate=1,2; biological replicate=1; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160606s_36h_HILIC_Zn_HL60_challenge_Con2 time point:36 hr | sample type:Control technical replicate=1,2; biological replicate=2; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160606s_36h_HILIC_Zn_HL60_challenge_Con3 time point:36 hr | sample type:Control technical replicate=1,2; biological replicate=3; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160606s_36h_HILIC_Zn_HL60_challenge_Con5 time point:36 hr | sample type:Control technical replicate=1,2; biological replicate=5; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160606s_36h_HILIC_Zn_HL60_challenge_rgb_QC time point:36 hr | sample type:QC technical replicate=1,2,3,4,5,6,7; biological replicate=NA; concentration=NA; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160606s_36h_HILIC_Zn_HL60_challenge_Treated1 time point:36 hr | sample type:Treated technical replicate=1,2; biological replicate=1; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160606s_36h_HILIC_Zn_HL60_challenge_Treated2 time point:36 hr | sample type:Treated technical replicate=1,2; biological replicate=2; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160606s_36h_HILIC_Zn_HL60_challenge_Treated3 time point:36 hr | sample type:Treated technical replicate=1,2; biological replicate=3; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160606s_36h_HILIC_Zn_HL60_challenge_Treated5 time point:36 hr | sample type:Treated technical replicate=1,2; biological replicate=5; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - rgb_20160520_RTA_HL60_ZN_36HR_CON1 time point:36 hr | sample type:Control technical replicate=1,2; biological replicate=1; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160520_RTA_HL60_ZN_36HR_CON2 time point:36 hr | sample type:Control technical replicate=1,2; biological replicate=2; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160520_RTA_HL60_ZN_36HR_CON3 time point:36 hr | sample type:Control technical replicate=1,2; biological replicate=3; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160520_RTA_HL60_ZN_36HR_CON4 time point:36 hr | sample type:Control technical replicate=1,2; biological replicate=4; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160520_RTA_HL60_ZN_36HR_QC time point:36 hr | sample type:QC technical replicate=1,2,3,4,5,6,7; biological replicate=NA; concentration=NA; modality=RPLC SUBJECT_SAMPLE_FACTORS - sds_20160607s_48h_HILIC_Zn_HL60_challenge_Con1 time point:48 hr | sample type:Control technical replicate=1,2; biological replicate=1; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160607s_48h_HILIC_Zn_HL60_challenge_Con2 time point:48 hr | sample type:Control technical replicate=1; biological replicate=2; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160607s_48h_HILIC_Zn_HL60_challenge_Con3 time point:48 hr | sample type:Control technical replicate=1,2; biological replicate=3; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160607s_48h_HILIC_Zn_HL60_challenge_Con4 time point:48 hr | sample type:Control technical replicate=1,2; biological replicate=4; concentration=-; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160607s_48h_HILIC_Zn_HL60_challenge_rgb_QC time point:48 hr | sample type:QC technical replicate=1,2,3,4,5,6; biological replicate=NA; concentration=NA; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160607s_48h_HILIC_Zn_HL60_challenge_rgb_QC_C18_10uL time point:48 hr | sample type:QC technical replicate=1,2; biological replicate=NA; concentration=NA; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160607s_48h_HILIC_Zn_HL60_challenge_Treated1 time point:48 hr | sample type:Treated technical replicate=1,2; biological replicate=1; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160607s_48h_HILIC_Zn_HL60_challenge_Treated2 time point:48 hr | sample type:Treated technical replicate=1,2; biological replicate=2; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160607s_48h_HILIC_Zn_HL60_challenge_Treated3 time point:48 hr | sample type:Treated technical replicate=1,2; biological replicate=3; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160607s_48h_HILIC_Zn_HL60_challenge_Treated4 time point:48 hr | sample type:Treated technical replicate=1,2; biological replicate=4; concentration=250; modality=HILIC SUBJECT_SAMPLE_FACTORS - rgb_20160520r_b_RTA_HL60_ZN_48HR_CON1 time point:48 hr | sample type:Control technical replicate=1,2; biological replicate=1; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160520r_b_RTA_HL60_ZN_48HR_CON3 time point:48 hr | sample type:Control technical replicate=1,2; biological replicate=3; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160520r_b_RTA_HL60_ZN_48HR_CON4 time point:48 hr | sample type:Control technical replicate=1,2; biological replicate=4; concentration=-; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160520r_b_RTA_HL60_ZN_48HR_QC time point:48 hr | sample type:QC technical replicate=1,2,3,4,5,6,7; biological replicate=NA; concentration=NA; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160520r_b_RTA_HL60_ZN_48HR_TREAT1 time point:48 hr | sample type:Treated technical replicate=1,2; biological replicate=1; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160520r_b_RTA_HL60_ZN_48HR_TREAT2 time point:48 hr | sample type:Treated technical replicate=1,2; biological replicate=2; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160520r_b_RTA_HL60_ZN_48HR_TREAT3 time point:48 hr | sample type:Treated technical replicate=1,2; biological replicate=3; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - rgb_20160520r_b_RTA_HL60_ZN_48HR_TREAT4 time point:48 hr | sample type:Treated technical replicate=1,2; biological replicate=4; concentration=250; modality=RPLC SUBJECT_SAMPLE_FACTORS - sds_20160520s_24h_HILIC_Zn_HL60_challenge_rgb_10uL_QC time point:24 hr | sample type:QC technical replicate=6,7; biological replicate=NA; concentration=NA; modality=HILIC SUBJECT_SAMPLE_FACTORS - sds_20160520s_18h_HILIC_Zn_HL60_challenge_rgb_10uL_QC time point:18 hr | sample type:QC technical replicate=6,7,3; biological replicate=NA; concentration=NA; modality=HILIC #COLLECTION CO:COLLECTION_SUMMARY no collection protocol CO:SAMPLE_TYPE Leukemia cells #TREATMENT TR:TREATMENT_SUMMARY The HL60 cells were cultured in Isocove’s Modified Dulbecco’s Medium (IMDM, TR:TREATMENT_SUMMARY Gibco) supplemented with 10% v/v heat-inactivated fetal bovine serum (Atlanta TR:TREATMENT_SUMMARY Biologicals) at 37˚C with 5% CO2 atmosphere and treated with 225 µM Zn or TR:TREATMENT_SUMMARY deionized H2O. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The remaining HL60 cells (approximately one million) were lysed in 100 µL of SP:SAMPLEPREP_SUMMARY 1:1:2 MeCNCH3CN: CH3MeOH:NH4HCO3 (50 mM, pH 8.0) followed by one freeze-thaw SP:SAMPLEPREP_SUMMARY cycle (three minutes each) and a ten-minute sonication in an ice bath. Protein SP:SAMPLEPREP_SUMMARY concentration was obtained using the Pierce BCA Protein Assay Kit (Thermo Fisher SP:SAMPLEPREP_SUMMARY Scientific). An aliquot of 100 or 150 µg of each sample in a total of 100 µL SP:SAMPLEPREP_SUMMARY of lysis buffer was precipitated with 300 µL of ice cold 75:25 acetone:methanol SP:SAMPLEPREP_SUMMARY for 2 h at -80°C. Samples were spun for 15 minutes at 6,800 x g and the SP:SAMPLEPREP_SUMMARY supernatant was removed and utilized for metabolomics analysis. The pellets were SP:SAMPLEPREP_SUMMARY rinsed with 300 µL of ice cold acetone and spun as above. Acetone was removed SP:SAMPLEPREP_SUMMARY and the pellet was allowed to dry briefly. Metabolite supernatants were dried SP:SAMPLEPREP_SUMMARY and reconstituted in 50 uL of appropriate reverse phase liquid chromatography SP:SAMPLEPREP_SUMMARY (0.1% formic acid in 98:2 H2O: CH3CNMeCN) or hydrophilic interaction SP:SAMPLEPREP_SUMMARY chromatography (80:20 CH3CNMeCN: H2O) compatible buffers prior to analyses. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY see formatted metadata template CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Phenomenex Kinetex HILIC 100A (50 x 2.1 mm, 2.6um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Waters Synapt G2 S QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_RESULTS_FILE ST001029_AN001688_Results.txt UNITS:Abundance #END