#METABOLOMICS WORKBENCH araskind_20170619_182232 DATATRACK_ID:1051 STUDY_ID:ST000747 ANALYSIS_ID:AN001171 PROJECT_ID:PR000538 VERSION 1 CREATED_ON July 3, 2017, 2:38 pm #PROJECT PR:PROJECT_TITLE Metabolomics of mice inoculated with human microbiota PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Metabolomics of mice inoculated with human microbiota PR:INSTITUTE Cornell University PR:DEPARTMENT Microbiology PR:LABORATORY Ley Lab PR:LAST_NAME Ley PR:FIRST_NAME Ruth PR:ADDRESS Ithaca, NY PR:EMAIL rel222@cornell.edu PR:PHONE 607-255-4954 #STUDY ST:STUDY_TITLE Metabolomics of mice inoculated with human stool (part III). ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Mice were inoculated with human stool samples from donors in a high gene copy ST:STUDY_SUMMARY number group or low gene copy number group. After several weeks, cecal contents ST:STUDY_SUMMARY were collected and frozen at -80. Aliquots were made on dry ice and then stored ST:STUDY_SUMMARY at -80 until shipment on dry ice. Analysis of short chain fatty acids (SCFA) of ST:STUDY_SUMMARY cecal content was performed. 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 56 ST:TOTAL_SUBJECTS 43 #SUBJECT SU:SUBJECT_TYPE Mouse SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10088 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0012437 S00018932 AMY1 group:high | EXPERIMENT:AMY1.3 Donor DEXA fat %=34.6; Mouse DEXA fat %=17.5 SUBJECT_SAMPLE_FACTORS SU0012438 S00018933 AMY1 group:high | EXPERIMENT:AMY1.3 Donor DEXA fat %=29.7; Mouse DEXA fat %=17.7 SUBJECT_SAMPLE_FACTORS SU0012439 S00018934 AMY1 group:low | EXPERIMENT:AMY1.3 Donor DEXA fat %=42.1; Mouse DEXA fat %=21.1 SUBJECT_SAMPLE_FACTORS SU0012440 S00018935 AMY1 group:high | EXPERIMENT:AMY1.3 Donor DEXA fat %=18.8; Mouse DEXA fat %=20.7 SUBJECT_SAMPLE_FACTORS SU0012441 S00018936 AMY1 group:low | EXPERIMENT:AMY1.3 Donor DEXA fat %=10.9; Mouse DEXA fat %=21.4 SUBJECT_SAMPLE_FACTORS SU0012442 S00018937 AMY1 group:high | EXPERIMENT:AMY1.3 Donor DEXA fat %=16.6; Mouse DEXA fat %=17.7 SUBJECT_SAMPLE_FACTORS SU0012443 S00018938 AMY1 group:low | EXPERIMENT:AMY1.3 Donor DEXA fat %=32.5; Mouse DEXA fat %=17.1 SUBJECT_SAMPLE_FACTORS SU0012444 S00018939 AMY1 group:high | EXPERIMENT:AMY1.3 Donor DEXA fat %=29.1; Mouse DEXA fat %=18.6 SUBJECT_SAMPLE_FACTORS SU0012445 S00018940 AMY1 group:low | EXPERIMENT:AMY1.3 Donor DEXA fat %=23.5; Mouse DEXA fat %=23.1 SUBJECT_SAMPLE_FACTORS SU0012446 S00018941 AMY1 group:high | EXPERIMENT:AMY1.3 Donor DEXA fat %=9.1; Mouse DEXA fat %=21.7 SUBJECT_SAMPLE_FACTORS SU0012447 S00018942 AMY1 group:low | EXPERIMENT:AMY1.3 Donor DEXA fat %=22.9; Mouse DEXA fat %=21.4 SUBJECT_SAMPLE_FACTORS SU0012448 S00018943 AMY1 group:high | EXPERIMENT:AMY1.3 Donor DEXA fat %=NA; Mouse DEXA fat %=21.1 SUBJECT_SAMPLE_FACTORS SU0012449 S00018944 AMY1 group:low | EXPERIMENT:AMY1.3 Donor DEXA fat %=38; Mouse DEXA fat %=19.9 SUBJECT_SAMPLE_FACTORS SU0012450 S00018945 AMY1 group:high | EXPERIMENT:AMY1.3 Donor DEXA fat %=20.3; Mouse DEXA fat %=23.1 SUBJECT_SAMPLE_FACTORS SU0012451 S00018946 AMY1 group:high | EXPERIMENT:AMY1.3 Donor DEXA fat %=19.2; Mouse DEXA fat %=22.2 SUBJECT_SAMPLE_FACTORS SU0012452 S00018947 AMY1 group:low | EXPERIMENT:AMY1.3 Donor DEXA fat %=NA; Mouse DEXA fat %=22.4 SUBJECT_SAMPLE_FACTORS SU0012453 S00018948 AMY1 group:high | EXPERIMENT:AMY1.3 Donor DEXA fat %=21.6; Mouse DEXA fat %=23.4 SUBJECT_SAMPLE_FACTORS SU0012454 S00018949 AMY1 group:low | EXPERIMENT:AMY1.3 Donor DEXA fat %=37.1; Mouse DEXA fat %=18.5 SUBJECT_SAMPLE_FACTORS SU0012455 S00018950 AMY1 group:high | EXPERIMENT:AMY1.3 Donor DEXA fat %=35.6; Mouse DEXA fat %=19.1 SUBJECT_SAMPLE_FACTORS SU0012456 S00018951 AMY1 group:low | EXPERIMENT:AMY1.3 Donor DEXA fat %=24.2; Mouse DEXA fat %=20.8 SUBJECT_SAMPLE_FACTORS SU0012457 S00018952 AMY1 group:high | EXPERIMENT:AMY1.3 Donor DEXA fat %=16.7; Mouse DEXA fat %=20.7 SUBJECT_SAMPLE_FACTORS SU0012458 S00018953 AMY1 group:high | EXPERIMENT:AMY1.4 Donor DEXA fat %=34.6; Mouse DEXA fat %=13.5 SUBJECT_SAMPLE_FACTORS SU0012459 S00018954 AMY1 group:high | EXPERIMENT:AMY1.4 Donor DEXA fat %=29.7; Mouse DEXA fat %=17.2 SUBJECT_SAMPLE_FACTORS SU0012460 S00018955 AMY1 group:low | EXPERIMENT:AMY1.4 Donor DEXA fat %=42.1; Mouse DEXA fat %=13.2 SUBJECT_SAMPLE_FACTORS SU0012461 S00018956 AMY1 group:high | EXPERIMENT:AMY1.4 Donor DEXA fat %=18.8; Mouse DEXA fat %=15.3 SUBJECT_SAMPLE_FACTORS SU0012462 S00018957 AMY1 group:low | EXPERIMENT:AMY1.4 Donor DEXA fat %=10.9; Mouse DEXA fat %=13.9 SUBJECT_SAMPLE_FACTORS SU0012463 S00018958 AMY1 group:high | EXPERIMENT:AMY1.4 Donor DEXA fat %=16.6; Mouse DEXA fat %=15.8 SUBJECT_SAMPLE_FACTORS SU0012464 S00018959 AMY1 group:low | EXPERIMENT:AMY1.4 Donor DEXA fat %=32.5; Mouse DEXA fat %=13.9 SUBJECT_SAMPLE_FACTORS SU0012465 S00018960 AMY1 group:high | EXPERIMENT:AMY1.4 Donor DEXA fat %=29.1; Mouse DEXA fat %=12.9 SUBJECT_SAMPLE_FACTORS SU0012466 S00018961 AMY1 group:low | EXPERIMENT:AMY1.4 Donor DEXA fat %=23.5; Mouse DEXA fat %=14.4 SUBJECT_SAMPLE_FACTORS SU0012467 S00018962 AMY1 group:high | EXPERIMENT:AMY1.4 Donor DEXA fat %=9.1; Mouse DEXA fat %=13.6 SUBJECT_SAMPLE_FACTORS SU0012468 S00018963 AMY1 group:low | EXPERIMENT:AMY1.4 Donor DEXA fat %=22.9; Mouse DEXA fat %=15 SUBJECT_SAMPLE_FACTORS SU0012469 S00018964 AMY1 group:high | EXPERIMENT:AMY1.4 Donor DEXA fat %=NA; Mouse DEXA fat %=16.8 SUBJECT_SAMPLE_FACTORS SU0012470 S00018965 AMY1 group:low | EXPERIMENT:AMY1.4 Donor DEXA fat %=38; Mouse DEXA fat %=15 SUBJECT_SAMPLE_FACTORS SU0012471 S00018966 AMY1 group:high | EXPERIMENT:AMY1.4 Donor DEXA fat %=20.3; Mouse DEXA fat %=22 SUBJECT_SAMPLE_FACTORS SU0012472 S00018967 AMY1 group:low | EXPERIMENT:AMY1.4 Donor DEXA fat %=24.2; Mouse DEXA fat %=13.9 SUBJECT_SAMPLE_FACTORS SU0012473 S00018968 AMY1 group:high | EXPERIMENT:AMY1.4 Donor DEXA fat %=19.2; Mouse DEXA fat %=20.3 SUBJECT_SAMPLE_FACTORS SU0012474 S00018969 AMY1 group:low | EXPERIMENT:AMY1.4 Donor DEXA fat %=NA; Mouse DEXA fat %=14.6 SUBJECT_SAMPLE_FACTORS SU0012475 S00018970 AMY1 group:high | EXPERIMENT:AMY1.4 Donor DEXA fat %=21.6; Mouse DEXA fat %=15.4 SUBJECT_SAMPLE_FACTORS SU0012476 S00018971 AMY1 group:low | EXPERIMENT:AMY1.4 Donor DEXA fat %=37.1; Mouse DEXA fat %=15.8 SUBJECT_SAMPLE_FACTORS SU0012477 S00018972 AMY1 group:high | EXPERIMENT:AMY1.4 Donor DEXA fat %=35.6; Mouse DEXA fat %=20.2 SUBJECT_SAMPLE_FACTORS SU0012478 S00018973 AMY1 group:high | EXPERIMENT:AMY1.4 Donor DEXA fat %=16.7; Mouse DEXA fat %=17.3 SUBJECT_SAMPLE_FACTORS SU9999996 S00020340 AMY1 group:- | EXPERIMENT:- Donor DEXA fat %=-; Mouse DEXA fat %=- #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A007 - Short Chain Fatty Acids.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890N CH:COLUMN_NAME Agilent HP5-MS (15m × 0.25mm, 0.25 um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A007 - Short Chain Fatty 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 pmol/mg MS_METABOLITE_DATA_START Samples S00018932 S00018933 S00018934 S00018935 S00018936 S00018937 S00018938 S00018939 S00018940 S00018941 S00018942 S00018943 S00018944 S00018945 S00018946 S00018947 S00018948 S00018949 S00018950 S00018951 S00018952 S00018953 S00018954 S00018955 S00018956 S00018957 S00018958 S00018959 S00018960 S00018961 S00018962 S00018963 S00018964 S00018965 S00018966 S00018967 S00018968 S00018969 S00018970 S00018971 S00018972 S00018973 Factors AMY1 group:high | EXPERIMENT:AMY1.3 AMY1 group:high | EXPERIMENT:AMY1.3 AMY1 group:low | EXPERIMENT:AMY1.3 AMY1 group:high | EXPERIMENT:AMY1.3 AMY1 group:low | EXPERIMENT:AMY1.3 AMY1 group:high | EXPERIMENT:AMY1.3 AMY1 group:low | EXPERIMENT:AMY1.3 AMY1 group:high | EXPERIMENT:AMY1.3 AMY1 group:low | EXPERIMENT:AMY1.3 AMY1 group:high | EXPERIMENT:AMY1.3 AMY1 group:low | EXPERIMENT:AMY1.3 AMY1 group:high | EXPERIMENT:AMY1.3 AMY1 group:low | EXPERIMENT:AMY1.3 AMY1 group:high | EXPERIMENT:AMY1.3 AMY1 group:high | EXPERIMENT:AMY1.3 AMY1 group:low | EXPERIMENT:AMY1.3 AMY1 group:high | EXPERIMENT:AMY1.3 AMY1 group:low | EXPERIMENT:AMY1.3 AMY1 group:high | EXPERIMENT:AMY1.3 AMY1 group:low | EXPERIMENT:AMY1.3 AMY1 group:high | EXPERIMENT:AMY1.3 AMY1 group:high | EXPERIMENT:AMY1.4 AMY1 group:high | EXPERIMENT:AMY1.4 AMY1 group:low | EXPERIMENT:AMY1.4 AMY1 group:high | EXPERIMENT:AMY1.4 AMY1 group:low | EXPERIMENT:AMY1.4 AMY1 group:high | EXPERIMENT:AMY1.4 AMY1 group:low | EXPERIMENT:AMY1.4 AMY1 group:high | EXPERIMENT:AMY1.4 AMY1 group:low | EXPERIMENT:AMY1.4 AMY1 group:high | EXPERIMENT:AMY1.4 AMY1 group:low | EXPERIMENT:AMY1.4 AMY1 group:high | EXPERIMENT:AMY1.4 AMY1 group:low | EXPERIMENT:AMY1.4 AMY1 group:high | EXPERIMENT:AMY1.4 AMY1 group:low | EXPERIMENT:AMY1.4 AMY1 group:high | EXPERIMENT:AMY1.4 AMY1 group:low | EXPERIMENT:AMY1.4 AMY1 group:high | EXPERIMENT:AMY1.4 AMY1 group:low | EXPERIMENT:AMY1.4 AMY1 group:high | EXPERIMENT:AMY1.4 AMY1 group:high | EXPERIMENT:AMY1.4 PROPIONIC ACID 56.86571919 51.15627132 42.4030069 39.29443211 39.12368777 29.154125 46.99647552 37.39059483 34.85819322 25.09610994 32.63881034 19.55562758 41.2993743 42.7465107 44.53637466 45.37943897 18.08745465 26.53817518 27.04361825 29.49278795 26.47149869 28.31942791 31.80518796 0 13.19771366 6.515737581 .253887255 11.90308357 8.115362167 13.65135683 16.54528235 13.58812415 9.902498821 28.11574367 5.117545738 23.95061017 7.474450249 1.543577778 5.233765753 .537153315 1.096225389 3.913312766 ISOVALERIC ACID 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ACETIC ACID 120.9438685 137.9958973 105.5936966 114.0409903 145.506631 125.1441958 128.1621791 140.0125776 174.6387979 105.6689218 110.2908017 119.2004021 134.7318059 161.6921484 160.9832439 150.7248627 93.56764884 109.616781 93.83235476 114.0982964 151.1333717 70.52867093 102.8468034 51.28430556 47.57431278 50.80111663 22.80701797 33.14854958 48.56862833 40.85610903 86.11859118 42.47273918 71.85994458 67.88437184 32.30249688 71.27710169 68.48926244 50.50101389 28.40883836 15.86759807 15.01835492 16.49264043 BUTYRIC ACID 0 0 0 2.581476293 8.15615393 0 0 0 .224764012 0 0 0 0 0 0 0 0 1.488462287 0 0 0 0 0 0 2.173947137 0 0 0 0 0 .233367647 1.731910023 .727661557 0 0 0 1.477191542 0 0 0 0 2.450841489 ISOBUTYRIC ACID .535956161 1.58170155 .677213793 2.312421336 0 0 0 0 0 0 0 0 0 0 0 0 0 .514806569 0 0 0 0 0 4.610074074 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VALERIC ACID 0 5.142503876 0 0 0 .138652655 1.264997423 0 0 0 0 0 0 .395191176 2.814905995 .204922535 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 HEPTANOIC ACID .846095972 .727063953 .35065977 .100971983 .540581878 0 .707261598 0 .967971976 .881311839 0 .200158505 .570421788 2.16961631 1.559531335 .396231221 .715440698 2.777526764 1.295080977 0 0 0 .199293612 .19625 1.29921696 .507757019 .854857843 .148467422 .846527567 1.244727974 .422089706 .003332574 .711160377 1.394096519 .965039501 .320457627 0 2.272520833 0 .709368785 .539933938 1.191720213 HEXANOIC ACID 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 PROPIONIC ACID 1032 ISOVALERIC ACID 10430 ACETIC ACID 176 BUTYRIC ACID 264 ISOBUTYRIC ACID 6590 VALERIC ACID 7991 HEPTANOIC ACID 8094 HEXANOIC ACID 8892 METABOLITES_END #END