#METABOLOMICS WORKBENCH araskind_20170619_111506 DATATRACK_ID:993 STUDY_ID:ST000774 ANALYSIS_ID:AN001221 PROJECT_ID:PR000560 VERSION 1 CREATED_ON July 5, 2017, 1:31 pm #PROJECT PR:PROJECT_TITLE Metabolic effects of novel aldehyde dehydrogenase inhibitors (ALDH) inhibitors PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Effect of novel aldehyde dehydrogenase inhibitors (N3 Flux-673-773) PR:INSTITUTE University of Michigan PR:DEPARTMENT Hemtology/Oncology PR:LABORATORY Buckanovich Lab PR:LAST_NAME Buckanovich PR:FIRST_NAME Ronald PR:ADDRESS Ann Arbor, MI PR:EMAIL ronaldbu@umich.edu PR:PHONE 734-764-2395 #STUDY ST:STUDY_TITLE Metabolic effects of novel aldehyde dehydrogenase inhibitors (ALDH) inhibitors ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Effect of novel aldehyde dehydrogenase inhibitors. Before an experiment medium ST:STUDY_SUMMARY was replaced to medium without glucose with addition of labeled glucose on C13. ST:STUDY_SUMMARY Next, cells were treated with ALDH inhibitors 673 or 773 for 1, 4, or 8 hr ST:STUDY_SUMMARY (673&773-Jan26) 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 9 ST:TOTAL_SUBJECTS 36 #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 SU0011664 S00017246 cell type:Cd133 | time:NA | treatment:Control SUBJECT_SAMPLE_FACTORS SU0011665 S00017247 cell type:Cd133 | time:NA | treatment:Control SUBJECT_SAMPLE_FACTORS SU0011666 S00017248 cell type:Cd133 | time:NA | treatment:Control SUBJECT_SAMPLE_FACTORS SU0011667 S00017249 cell type:Cd133 | time:1hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011668 S00017250 cell type:Cd133 | time:1hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011669 S00017251 cell type:Cd133 | time:1hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011670 S00017252 cell type:Cd133 | time:1hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011671 S00017253 cell type:Cd133 | time:1hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011672 S00017254 cell type:Cd133 | time:1hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011673 S00017255 cell type:Cd133 | time:4hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011674 S00017256 cell type:Cd133 | time:4hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011675 S00017257 cell type:Cd133 | time:4hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011676 S00017258 cell type:Cd133 | time:4hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011677 S00017259 cell type:Cd133 | time:4hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011678 S00017260 cell type:Cd133 | time:4hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011679 S00017261 cell type:Cd133 | time:8hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011680 S00017262 cell type:Cd133 | time:8hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011681 S00017263 cell type:Cd133 | time:8hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011682 S00017264 cell type:Cd133 | time:8hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011683 S00017265 cell type:Cd133 | time:8hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011684 S00017266 cell type:Cd133 | time:8hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011685 S00017267 cell type:OvCAR8 | time:NA | treatment:Control SUBJECT_SAMPLE_FACTORS SU0011686 S00017268 cell type:OvCAR8 | time:NA | treatment:Control SUBJECT_SAMPLE_FACTORS SU0011687 S00017269 cell type:OvCAR8 | time:NA | treatment:Control SUBJECT_SAMPLE_FACTORS SU0011688 S00017270 cell type:OvCAR8 | time:4hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011689 S00017271 cell type:OvCAR8 | time:4hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011690 S00017272 cell type:OvCAR8 | time:4hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011691 S00017273 cell type:OvCAR8 | time:4hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011692 S00017274 cell type:OvCAR8 | time:4hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011693 S00017275 cell type:OvCAR8 | time:4hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011694 S00017276 cell type:OvCAR8 | time:8hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011695 S00017277 cell type:OvCAR8 | time:8hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011696 S00017278 cell type:OvCAR8 | time:8hr | treatment:Compound 673 SUBJECT_SAMPLE_FACTORS SU0011697 S00017279 cell type:OvCAR8 | time:8hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011698 S00017280 cell type:OvCAR8 | time:8hr | treatment:Compound 773 SUBJECT_SAMPLE_FACTORS SU0011699 S00017281 cell type:OvCAR8 | time:8hr | treatment:Compound 773 #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A016 - Vitamins.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent CH:COLUMN_NAME C18 2mm x 150mm (Waters Corporation) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A016 - Vitamins.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6490A QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/ug protein MS_METABOLITE_DATA_START Samples S00017267 S00017268 S00017269 S00017276 S00017277 S00017278 S00017279 S00017280 S00017281 Factors cell type:OvCAR8 | time:NA | treatment:Control cell type:OvCAR8 | time:NA | treatment:Control cell type:OvCAR8 | time:NA | treatment:Control cell type:OvCAR8 | time:8hr | treatment:Compound 673 cell type:OvCAR8 | time:8hr | treatment:Compound 673 cell type:OvCAR8 | time:8hr | treatment:Compound 673 cell type:OvCAR8 | time:8hr | treatment:Compound 773 cell type:OvCAR8 | time:8hr | treatment:Compound 773 cell type:OvCAR8 | time:8hr | treatment:Compound 773 PYRIDOXINE 24.43007671 21.6269456 22.62650719 24.00154463 15.54393201 10.35437648 15.59452362 16.16571539 29.15066308 THIAMINE 10.79397693 10.06137175 8.980899852 11.72607287 8.027883332 7.211966746 5.856295638 7.92861464 12.81816524 VITAMIN B12 0 0 0 0 0 0 0 0 0 VITAMIN E 18.45650135 0 0 0 0 8.264731067 0 21.34780856 10.6575933 BIOTIN 45.66249468 27.49671701 35.09028694 27.29322163 15.87398887 19.01360153 67.2887825 62.77232971 90.04013456 RETINOL 0 0 0 0 0 0 0 0 0 RIBOFLAVIN 3.494957201 1.381224773 1.825715918 1.888602445 1.346744163 1.146755701 1.157630257 1.512876449 2.634406117 PHYLLOQUINONE 0 0 0 0 0 0 0 0 0 VITAMIN D3 0 0 0 0 0 0 0 0 0 D-PANTOTHENIC ACID 29.09707464 18.59641104 18.73440021 16.52822684 13.5972944 10.9510651 49.70797947 55.60403347 72.01013964 NICOTINIC ACID 660.6136186 123.8259323 406.9400845 291.0916759 205.0796831 95.27445992 155.2863165 105.4867836 233.6935326 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 PYRIDOXINE 1054 THIAMINE 1130 VITAMIN B12 118701016 VITAMIN E 14985 BIOTIN 171548 RETINOL 445354 RIBOFLAVIN 493570 PHYLLOQUINONE 5280483 VITAMIN D3 5280795 D-PANTOTHENIC ACID 6613 NICOTINIC ACID 938 METABOLITES_END #END