#METABOLOMICS WORKBENCH amat_20160121_064644 STUDY_ID:ST000338 ANALYSIS_ID:AN000549 PROJECT_ID:PR000270
VERSION 1
CREATED_ON January 21, 2016, 7:20 am
#PROJECT
PR:PROJECT_TITLE Unbiased profiling uncovers a crucial role for gut microbiome derived
PR:PROJECT_TITLE metabolites in modulating GI epithelial cell damage and mitigating GVHD.
PR:PROJECT_SUMMARY Taxonomic alterations in the intestinal microbiota are being progressively
PR:PROJECT_SUMMARY associated with many diseases, including graft-versus host disease (GVHD).
PR:PROJECT_SUMMARY However, the impact of these alterations on microbial metabolites and
PR:PROJECT_SUMMARY by-products and their subsequent impact on disease processes, such as GVHD, are
PR:PROJECT_SUMMARY not known. Here we utilized a targetedn unbiased and blinded approach in a
PR:PROJECT_SUMMARY blinded fashion to identify novel alterations in the levels of microbial
PR:PROJECT_SUMMARY metabolites, specifically levels including the short chain fatty acid (SCFA) and
PR:PROJECT_SUMMARY endogenous histone deacetylase inhibitor (HDACi), butyrate, after allo-BMT.
PR:PROJECT_SUMMARY Surprisingly, alterations were observed only in intestinal epithelial cells
PR:PROJECT_SUMMARY (IECs) but not in the luminal contents. The reduced butyrate in IECs (CD326+)
PR:PROJECT_SUMMARY after allo-BMT resulted in decreased histone acetylation, which was restored
PR:PROJECT_SUMMARY upon local administration of exogenous butyrate. This resulted in improved IEC
PR:PROJECT_SUMMARY junctional integrity, increased anti-apoptotic proteins, decreased GVHD, and
PR:PROJECT_SUMMARY improved survival. Furthermore, alteration of endogenous microflora with 17
PR:PROJECT_SUMMARY rationally selected strains of high butyrate producing Clostridia, also
PR:PROJECT_SUMMARY decreased GVHD and increased survival following allo-BMT in experiments
PR:PROJECT_SUMMARY performed at two different institutions. These data demonstrate an heretofore
PR:PROJECT_SUMMARY unrecognized role of microbial metabolites and suggests that local and specific
PR:PROJECT_SUMMARY alteration of microbial metabolites has direct salutary effects on GVHD target
PR:PROJECT_SUMMARY tissues and mitigates its severity.
PR:INSTITUTE University of Michigan
PR:LAST_NAME Mathew
PR:FIRST_NAME Anna
PR:ADDRESS 6112 Brehm 1000 Wall Center
PR:EMAIL amat@umich.edu
PR:PHONE 7342328228
#STUDY
ST:STUDY_TITLE Unbiased profiling uncovers a crucial role for gut microbiome derived
ST:STUDY_TITLE metabolites in modulating GI epithelial cell damage and mitigating GVHD.
ST:STUDY_SUMMARY Taxonomic alterations in the intestinal microbiota are being progressively
ST:STUDY_SUMMARY associated with many diseases, including graft-versus host disease (GVHD).
ST:STUDY_SUMMARY However, the impact of these alterations on microbial metabolites and
ST:STUDY_SUMMARY by-products and their subsequent impact on disease processes, such as GVHD, are
ST:STUDY_SUMMARY not known. Here we utilized a targetedn unbiased and blinded approach in a
ST:STUDY_SUMMARY blinded fashion to identify novel alterations in the levels of microbial
ST:STUDY_SUMMARY metabolites, specifically levels including the short chain fatty acid (SCFA) and
ST:STUDY_SUMMARY endogenous histone deacetylase inhibitor (HDACi), butyrate, after allo-BMT.
ST:STUDY_SUMMARY Surprisingly, alterations were observed only in intestinal epithelial cells
ST:STUDY_SUMMARY (IECs) but not in the luminal contents. The reduced butyrate in IECs (CD326+)
ST:STUDY_SUMMARY after allo-BMT resulted in decreased histone acetylation, which was restored
ST:STUDY_SUMMARY upon local administration of exogenous butyrate. This resulted in improved IEC
ST:STUDY_SUMMARY junctional integrity, increased anti-apoptotic proteins, decreased GVHD, and
ST:STUDY_SUMMARY improved survival. Furthermore, alteration of endogenous microflora with 17
ST:STUDY_SUMMARY rationally selected strains of high butyrate producing Clostridia, also
ST:STUDY_SUMMARY decreased GVHD and increased survival following allo-BMT in experiments
ST:STUDY_SUMMARY performed at two different institutions. These data demonstrate an heretofore
ST:STUDY_SUMMARY unrecognized role of microbial metabolites and suggests that local and specific
ST:STUDY_SUMMARY alteration of microbial metabolites has direct salutary effects on GVHD target
ST:STUDY_SUMMARY tissues and mitigates its severity.
ST:INSTITUTE University of Michigan
ST:LAST_NAME Mathew
ST:FIRST_NAME Anna
ST:ADDRESS 6112 Brehm 1000 Wall Street
ST:EMAIL amat@umich.edu
ST:PHONE 7342328228
#SUBJECT
SU:SUBJECT_TYPE Animal
SU:SUBJECT_SPECIES Mus musculus
#SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS Naïve 1 Naïve 1Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Naïve 2 Naïve 2Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Naïve 3 Naïve 3Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Naïve 4 Naïve 4Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Naïve 5 Naïve 5Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Syngeneic 1 Syngeneic 1Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Syngeneic 2 Syngeneic 2Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Syngeneic 3 Syngeneic 3Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Syngeneic 4 Syngeneic 4Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Syngeneic 5 Syngeneic 5Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Allogeneic 1 Allogeneic 1Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Allogeneic 2 Allogeneic 2Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Allogeneic 3 Allogeneic 3Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Allogeneic 4 Allogeneic 4Liver Site:Liver
SUBJECT_SAMPLE_FACTORS Naïve 1 Naïve 1Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Naïve 2 Naïve 2Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Naïve 3 Naïve 3Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Naïve 4 Naïve 4Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Naïve 5 Naïve 5Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Syngeneic 1 Syngeneic 1Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Syngeneic 2 Syngeneic 2Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Syngeneic 3 Syngeneic 3Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Syngeneic 4 Syngeneic 4Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Syngeneic 5 Syngeneic 5Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Allogeneic 1 Allogeneic 1Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Allogeneic 2 Allogeneic 2Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Allogeneic 3 Allogeneic 3Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Allogeneic 4 Allogeneic 4Spleen Site:Spleen
SUBJECT_SAMPLE_FACTORS Naïve 1 Naïve 1Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Naïve 2 Naïve 2Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Naïve 3 Naïve 3Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Naïve 4 Naïve 4Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Syngeneic 1 Syngeneic 1Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Syngeneic 2 Syngeneic 2Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Syngeneic 3 Syngeneic 3Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Syngeneic 4 Syngeneic 4Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Syngeneic 5 Syngeneic 5Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Allogeneic 1 Allogeneic 1Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Allogeneic 2 Allogeneic 2Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Allogeneic 3 Allogeneic 3Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Allogeneic 4 Allogeneic 4Serum Site:Serum
SUBJECT_SAMPLE_FACTORS Naïve 1 Naïve 1Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Naïve 2 Naïve 2Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Naïve 3 Naïve 3Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Naïve 4 Naïve 4Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Naïve 5 Naïve 5Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Syngeneic 1 Syngeneic 1Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Syngeneic 2 Syngeneic 2Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Syngeneic 3 Syngeneic 3Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Syngeneic 4 Syngeneic 4Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Syngeneic 5 Syngeneic 5Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Allogeneic 1 Allogeneic 1Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Allogeneic 2 Allogeneic 2Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Allogeneic 3 Allogeneic 3Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Allogeneic 4 Allogeneic 4Intestine Site:Intestine
SUBJECT_SAMPLE_FACTORS Naïve 1 Naïve 1Stool Site:Stool
SUBJECT_SAMPLE_FACTORS Naïve 2 Naïve 2Stool Site:Stool
SUBJECT_SAMPLE_FACTORS Naïve 3 Naïve 3Stool Site:Stool
SUBJECT_SAMPLE_FACTORS Naïve 4 Naïve 4Stool Site:Stool
SUBJECT_SAMPLE_FACTORS Syngeneic 1 Syngeneic 1Stool Site:Stool
SUBJECT_SAMPLE_FACTORS Syngeneic 2 Syngeneic 2Stool Site:Stool
SUBJECT_SAMPLE_FACTORS Syngeneic 3 Syngeneic 3Stool Site:Stool
SUBJECT_SAMPLE_FACTORS Syngeneic 4 Syngeneic 4Stool Site:Stool
SUBJECT_SAMPLE_FACTORS Syngeneic 5 Syngeneic 5Stool Site:Stool
SUBJECT_SAMPLE_FACTORS Allogeneic 1 Allogeneic 1Stool Site:Stool
SUBJECT_SAMPLE_FACTORS Allogeneic 2 Allogeneic 2Stool Site:Stool
SUBJECT_SAMPLE_FACTORS Allogeneic 3 Allogeneic 3Stool Site:Stool
SUBJECT_SAMPLE_FACTORS Allogeneic 4 Allogeneic 4Stool Site:Stool
#COLLECTION
CO:COLLECTION_SUMMARY Female C57BL/6 (I-Ab; CD45.2+), BALB/c (H2d), and C3H.sw (H2b) mice were
CO:COLLECTION_SUMMARY purchased from National Cancer Institute. The age of mice used for experiments
CO:COLLECTION_SUMMARY ranged between 7 and 12 weeks.
#TREATMENT
TR:TREATMENT_SUMMARY BMTs were performed as previously described {Reddy:2005dc}{Reddy:2008kl}.
TR:TREATMENT_SUMMARY Briefly, syngeneic (BALB/c ? BALC/b or C57BL/6 ? C57BL/6) and allogeneic
TR:TREATMENT_SUMMARY (C57BL/6 ? BALB/c or C3H.sw ? C57BL/6) recipients received lethal
TR:TREATMENT_SUMMARY irradiation. On day -1, BALB/c recipients received a total of 800 cGy of
TR:TREATMENT_SUMMARY irradiation (split dose separated by 3 hours) and B6 animals received a single
TR:TREATMENT_SUMMARY dose of 1000 cGy. Donor splenic CD90.2+ T cells were magnetically separated
TR:TREATMENT_SUMMARY using an autoMACs (Miltenyi Biotec; Bergisch Gladbach, Germany) and 0.5 x 106
TR:TREATMENT_SUMMARY – 1 x 106 T cells were transferred to BALB/c recipients and 2 x 106 T cells
TR:TREATMENT_SUMMARY were transferred to C57BL/6 recipients. 5 x 106 donor whole bone marrow was
TR:TREATMENT_SUMMARY transferred to all recipients.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY To determine targeted fatty acid quantitation, samples (plasma, spleen, liver,
SP:SAMPLEPREP_SUMMARY intestine, and intestinal fecal content) from mice 7d and 21d post-transplant
SP:SAMPLEPREP_SUMMARY were harvested, homogenized, and snap-frozen in liquid N2. Homogenized tissues
SP:SAMPLEPREP_SUMMARY were normalized to their protein content, while 50µL of plasma was used per
SP:SAMPLEPREP_SUMMARY sample and Equal volumes of plasma and homogenized tissue were utilized, while50
SP:SAMPLEPREP_SUMMARY mg fecal content was weighed at necropsy before extraction. Samples were
SP:SAMPLEPREP_SUMMARY dispersed in acidified water spiked with stable isotope-labeled SCFA standards
SP:SAMPLEPREP_SUMMARY and extracted with diethyl ether.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE GC
CH:INSTRUMENT_NAME Agilent 6890N
CH:COLUMN_NAME Phenomenex ZB-WAX
#ANALYSIS
AN:ANALYSIS_TYPE MS
#MS
MS:MS_COMMENTS -
MS:INSTRUMENT_NAME Agilent 5973
MS:INSTRUMENT_TYPE Single quadrupole
MS:MS_TYPE EI
MS:ION_MODE POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS mmol/mg
MS_METABOLITE_DATA_START
Samples Naïve 1Liver Naïve 2Liver Naïve 3Liver Naïve 4Liver Naïve 5Liver Syngeneic 1Liver Syngeneic 2Liver Syngeneic 3Liver Syngeneic 4Liver Syngeneic 5Liver Allogeneic 1Liver Allogeneic 2Liver Allogeneic 3Liver Allogeneic 4Liver Naïve 1Spleen Naïve 2Spleen Naïve 3Spleen Naïve 4Spleen Naïve 5Spleen Syngeneic 1Spleen Syngeneic 2Spleen Syngeneic 3Spleen Syngeneic 4Spleen Syngeneic 5Spleen Allogeneic 1Spleen Allogeneic 2Spleen Allogeneic 3Spleen Allogeneic 4Spleen Naïve 1Serum Naïve 2Serum Naïve 3Serum Naïve 4Serum Syngeneic 1Serum Syngeneic 2Serum Syngeneic 3Serum Syngeneic 4Serum Syngeneic 5Serum Allogeneic 1Serum Allogeneic 2Serum Allogeneic 3Serum Allogeneic 4Serum Naïve 1Intestine Naïve 2Intestine Naïve 3Intestine Naïve 4Intestine Naïve 5Intestine Syngeneic 1Intestine Syngeneic 2Intestine Syngeneic 3Intestine Syngeneic 4Intestine Syngeneic 5Intestine Allogeneic 1Intestine Allogeneic 2Intestine Allogeneic 3Intestine Allogeneic 4Intestine Naïve 1Stool Naïve 2Stool Naïve 3Stool Naïve 4Stool Syngeneic 1Stool Syngeneic 2Stool Syngeneic 3Stool Syngeneic 4Stool Syngeneic 5Stool Allogeneic 1Stool Allogeneic 2Stool Allogeneic 3Stool Allogeneic 4Stool
Factors Site:Liver Site:Liver Site:Liver Site:Liver Site:Liver Site:Liver Site:Liver Site:Liver Site:Liver Site:Liver Site:Liver Site:Liver Site:Liver Site:Liver Site:Spleen Site:Spleen Site:Spleen Site:Spleen Site:Spleen Site:Spleen Site:Spleen Site:Spleen Site:Spleen Site:Spleen Site:Spleen Site:Spleen Site:Spleen Site:Spleen Site:Serum Site:Serum Site:Serum Site:Serum Site:Serum Site:Serum Site:Serum Site:Serum Site:Serum Site:Serum Site:Serum Site:Serum Site:Serum Site:Intestine Site:Intestine Site:Intestine Site:Intestine Site:Intestine Site:Intestine Site:Intestine Site:Intestine Site:Intestine Site:Intestine Site:Intestine Site:Intestine Site:Intestine Site:Intestine Site:Stool Site:Stool Site:Stool Site:Stool Site:Stool Site:Stool Site:Stool Site:Stool Site:Stool Site:Stool Site:Stool Site:Stool Site:Stool
Acetate 0.001367051 0.007716075 0.00069004 0.022916188 0.00133827 0.005741469 0 0 0 0 0 0 0.014757123 0 0 0 0 0 0 0 0 0 0 0 0 0 0.081072436 0 5.647847997 8.214424336 9.624010428 9.28155694 22.89463266 11.59203424 11.06359575 7.292094314 6.285193841 15.41191581 8.2887712 9.69968101 3.473977961 2.767585801 2.66078925 2.046065923 2.448508002 1.271333349 7.727652087 3.610026349 2.201334274 3.277224787 2.69672131 1.687665139 1.931337906 1.257216979 1.837031732 0.749530159 0.683581689 0.206257104 0.712036465 0.476160492 0.648220862 1.155829949 1.152820087 1.887668206 0.937428513 0.700576912 0.037898052 0.014786293
Propionate 0.000121787 0.000788373 0.000123634 0.002348076 0.00011816 0.000513143 5.69155E-05 9.0708E-05 0.000885764 0.000160456 0.000116431 9.77302E-05 0.000430537 0.000107768 0.033406896 0.025089803 0.017042438 0.012267999 0.127633464 0.033465559 0.017593407 0.014915732 0.030600009 0.017196979 0.016470551 0.013616558 0.096270169 0.016989246 0.00598744 0.012801624 0.010924764 0.00765825 0.112370415 0.014437689 0.010796871 0.007105926 0.004877959 0.013378065 0.008389855 0.006662872 0.00750329 0.00328551 0.002111409 0.002630898 0.001931527 0.001381519 0.011840476 0.002226106 0.001731028 0.002636137 0.002722042 0.001341843 0.001495415 0.000990372 0.001465277 0.012106018 0.006638055 0.005022226 0.018690957 0.010208971 0.009662842 0.008168425 0.007912509 0.074586992 0.009566022 0.043764996 0.008898235 0.007423887
Butyrate 0.00026163 0.000225814 0.000190029 0.000731128 0.000223815 0.000217958 0.000153236 0.000162271 0.001501314 0.000392283 0.000235478 0.000171282 0.000581431 0.000277101 0.049958543 0.042824674 0.042448567 0.035067591 0.103425177 0.049481881 0.031490695 0.034001154 0.037204836 0.030599724 0.028694651 0.030859098 0.074958094 0.034568972 0.003031295 0.006752618 0.008740629 0.006863989 0.005127956 0.009055118 0.011226867 0.009285616 0.009109051 0.025908296 0.009466443 0.013331982 0.005083552 0.006437724 0.006573793 0.011080684 0.006390763 0.006078836 0.006725058 0.005659014 0.00753625 0.005908748 0.009017474 0.004179697 0.00407625 0.003737486 0.005208571 0.027384075 0.021769427 0.022385766 0.023781949 0.029541372 0.030275599 0.018330486 0.016473446 0.031210856 0.02707988 0.003663462 0.021958061 0.024878056
Isovalerate 8.10428E-06 0.000156858 9.37518E-06 0.000218691 5.65992E-06 2.791E-05 2.58036E-06 3.61924E-06 0.000365433 6.80905E-06 5.42456E-06 3.38428E-06 1.46904E-05 1.54484E-05 0.004161985 0.004429088 0.001628617 0.001492322 0.060917016 0.008999963 0.001578636 0.002206519 0.006145897 0.001829125 0.001401678 0.001124321 0.027286603 0.00157589 0.000588401 0.000589966 0.000556775 0.000555848 0.006137887 0.001568368 0.000609828 0.000555481 0.000651862 0.001120289 0.000668757 0.000620523 0.000650764 0.000361389 0.00024681 0.000331888 0.000187795 0.000122336 0.002853527 0.000222697 0.000202093 0.000229123 0.000205201 7.94643E-05 0.000110142 9.09155E-05 0.00010178 0.000600086 0.000414233 0.000284353 0.001687938 0.00061822 0.000596523 0.000699725 0.000627953 0.00503049 0.001387744 0.011859734 0.001901947 0.000582908
Valerate 2.21478E-05 6.40065E-05 2.04422E-05 0.000145345 2.38532E-05 3.24803E-05 1.28159E-05 1.51687E-05 0.000431763 3.36193E-05 2.36476E-05 1.64965E-05 9.67354E-05 2.66296E-05 0.012351024 0.007946417 0.00438438 0.003646459 0.039786375 0.010599275 0.004285788 0.004682095 0.006122697 0.005012804 0.00351686 0.004344079 0.014513115 0.004593482 0.000826802 0.00088073 0.000895261 0.000996059 0.00727582 0.001288819 0.001099927 0.000668003 0.000653882 0.001424419 0.000749451 0.000765341 0.000673423 0.000703216 0.000508359 0.000466816 0.000465759 0.000348333 0.001977445 0.000416201 0.000330713 0.000407448 0.000325548 0.000186279 0.00024126 0.000182232 0.000232628 0.001499007 0.001118952 0.001167746 0.00214624 0.002121714 0.002100592 0.00154218 0.001405165 0.003874204 0.002602885 0.008711404 0.002068708 0.001952871
Hexanoate 2.39538E-05 9.39173E-05 1.83569E-05 0.000167827 3.28823E-05 3.34384E-05 1.66503E-05 1.60748E-05 0.000196705 3.35419E-05 2.70678E-05 1.44345E-05 0.000153459 3.66777E-05 0.024065612 0.012936485 0.007059138 0.006011803 0.043347548 0.010959758 0.006437533 0.007323781 0.007716188 0.007917658 0.00627266 0.007029399 0.016971342 0.007295897 0.00213474 0.00262334 0.002784421 0.002840738 0.000527303 0.00210339 0.00372078 0.003064365 0.002303919 0.003859487 0.003142005 0.003125957 0.001606586 0.000784896 0.00102345 0.000691156 0.00092621 0.000535749 0.002632548 0.000502391 0.000339448 0.000316183 0.000395698 0.000185548 0.000165267 0.000132611 0.000263554 0.002167085 0.001423839 0.001145683 0.001649632 0.001717049 0.001952904 0.001497619 0.001776579 0.003316786 0.001740837 0.006628508 0.0020213 0.002143476
Heptanoate 1.04343E-05 3.85443E-05 7.59835E-06 7.98372E-05 9.59353E-06 1.97553E-05 5.59804E-06 7.97711E-06 1.2852E-05 1.5385E-05 1.11586E-05 8.26108E-06 5.18692E-05 1.8358E-06 0.000756278 0.000705192 0.000372816 0.000312431 0.00324024 0.000959952 0.000488101 0.00044254 0.000703739 0.000592304 0.000443395 0.000378705 0.001251184 0.000336488 0.002768872 0.002918295 0.00255833 0.002784679 0 0.001691715 0.003230294 0.00336224 0.002641333 0.006159894 0.002904914 0.002866604 0.001230058 0.001230667 0.000754704 0.000427272 0.000523017 0.000618152 0.002771109 0.000446833 0.000287415 0.000280963 0.000441888 0.000146513 0.000181231 0.000323581 0.000242233 0.00067475 0.000523998 0.000365223 0.000620186 0.000587072 0.000510394 0.000575216 0.00061366 0.001238864 0.000666284 0.002660484 0.000780436 0.000865877
Octanoic acid 4.11957E-05 0.00019226 3.28205E-05 0.000327311 4.11778E-05 5.21775E-05 2.10586E-05 2.53896E-05 0.000100303 5.64385E-05 3.86968E-05 3.03151E-05 0.000161933 9.02275E-06 0.003187605 0.00306725 0.001878648 0.00156515 0.024583618 0.004561164 0.001869371 0.001567346 0.002593368 0.002109712 0.001549124 0.001443659 0.006519077 0.001475646 0.007513686 0.010522616 0.013518157 0.016527066 0.001773225 0.006173479 0.01432435 0.00805409 0.005570569 0.017976299 0.013152769 0.014502199 0.006265625 0.010512206 0.007469977 0.004188871 0.0071266 0.005822123 0.025607425 0.00636109 0.003359008 0.002613661 0.003901395 0.001556164 0.002156364 0.0031893 0.002445514 0.002330017 0.00190932 0.001510602 0.002793281 0.002301308 0.002095161 0.002123552 0.002102339 0.003746374 0.003162832 0.016036758 0.003516057 0.003153897
Nonanoic acid 5.46372E-05 0.000196152 4.41259E-05 0.000403481 5.96957E-05 5.70707E-05 2.49919E-05 4.49771E-05 0.000113757 7.58809E-05 6.6788E-05 3.7392E-05 0.000200222 1.62779E-05 0.004633671 0.007577991 0.003059237 0.002920369 0.030329896 0.005272222 0.002665787 0.001977508 0.004249146 0.002985585 0.002335694 0.002640415 0.006282154 0.002567364 0.047978407 0.055399681 0.055398366 0.050954707 0.011393362 0.030220358 0.066157828 0.042373784 0.023193064 0.056872227 0.058509934 0.040862208 0.025761475 0.016038325 0.021520282 0.012026386 0.023059716 0.0103092 0.058199203 0.01923827 0.021571845 0.01525959 0.027742583 0.005535192 0.009963066 0.006053632 0.010116578 0.004411403 0.002710302 0.002195178 0.003742484 0.003112308 0.003477072 0.003616789 0.004464966 0.00509196 0.00415027 0.019618128 0.003546194 0.000447755
Decanoic acid 8.28011E-06 0.000160787 1.11523E-05 0.000296286 6.74564E-06 2.77622E-05 3.00511E-06 4.23571E-06 0.000101652 7.40699E-06 5.02303E-06 5.58953E-06 1.88738E-05 6.66659E-06 0.002207795 0.002046827 0.000538924 0.000280637 0.029869827 0.002434664 0.000453509 0.000271368 0.001491224 0.000437135 0.000397022 0.00079801 0.004968001 0.000358246 0.009960197 0.013970879 0.013272952 0.01126753 0.009333616 0.01414547 0.01354854 0.008903364 0.017099648 0.037599602 0.008666609 0.02760886 0.00497999 0.002098751 0.003180879 0.00367291 0.003249696 0.001213235 0.0578827 0.002115803 0.001535161 0.001637626 0.002286637 0.000824459 0.000958207 0.00069481 0.001267304 0.000487967 0.000433198 0.000266387 0.001651735 0.000385638 0.000413271 0.000345029 0.000657916 0.001467308 0.001052232 0.018046439 0.001001458 0.000727328
Undecanoic acid 1.45823E-05 0.000155342 1.17606E-05 0.000312824 7.99919E-06 2.59738E-05 4.34822E-06 8.30662E-06 0.000104263 1.23268E-05 9.40293E-06 6.93652E-06 2.60726E-05 6.28745E-06 0.001979065 0.001990472 0.000611913 0.000219147 0.027955646 0.002489247 0.000452722 0.000162439 0.00133907 0.000279504 0.000186448 9.4929E-05 0.004430593 9.89686E-05 0.058976282 0.126178089 0.100441898 0.036978871 0.047456399 0.013346665 0.134159445 0.098672392 0.059839771 0.135187723 0.038532918 0.066426884 0.019437303 0.001547837 0.006396476 0.005727751 0.006137716 0.003046992 0.08569297 0.005632943 0.004734634 0.003619238 0.007042835 0.003315366 0.002807728 0.001413598 0.002930552 0.000680417 0.00048977 0.000339326 0.001899082 0.000474871 0.000458542 0.000519302 0.000555255 0.005569302 0.001024126 0.023248405 0.000915742 0.000881104
Dodecanoic acid 4.04365E-05 0.00032913 3.69498E-05 0.000801837 3.42316E-05 0.000109406 1.38848E-05 2.0847E-05 0.000143433 3.86345E-05 2.39324E-05 2.02041E-05 8.92853E-05 1.22095E-05 0.003435049 0.003324965 0.0018593 0.001100323 0.036586024 0.004242122 0.001580347 0.001085427 0.003427311 0.001556224 0.001501985 0.001024255 0.012383993 0.001018036 0.104784436 0.159201752 0.133773941 0.094158171 0.116661866 0.024118258 0.161959884 0.103441309 0.067383722 0.253937349 0.088006115 0.154740011 0.035354126 0.011714868 0.017386586 0.015936752 0.020552984 0.008034957 0.241960853 0.02269858 0.011200602 0.012950899 0.020986724 0.00781246 0.008890036 0.004609387 0.011086336 0.002070622 0.001583776 0.001059315 0.003228575 0.001547987 0.001534973 0.001917064 0.001966069 0.011940151 0.003400293 0.033215807 0.003472518 0.002991894
Tridecanoic acid 1.59169E-05 0.000288466 2.31575E-05 0.000644358 1.41508E-05 8.54665E-05 9.36002E-06 1.52225E-05 0.000194996 2.70763E-05 1.82642E-05 8.40891E-06 2.62348E-05 1.30578E-05 0.003357554 0.003003343 0.001872934 0.000951603 0.037230793 0.002868289 0.000745115 0.000485851 0.00139794 0.000421011 0.000309524 0.000316777 0.006001044 0.000244581 0.093724096 0.089312976 0.096942191 0.045721636 0.038837641 0.013877419 0.061265715 0.060053972 0.036257271 0.087490451 0.026908572 0.060793747 0.012412841 0.010775349 0.023599779 0.015551687 0.016126163 0.008078701 0.300268263 0.026957386 0.014321565 0.018410314 0.021930041 0.008203707 0.013517965 0.006029575 0.016799607 0.001450289 0.001238097 0.000636842 0.005670469 0.000944289 0.000777236 0.001207855 0.001307802 0.078390465 0.001893425 0.027948666 0.002005441 0.000992362
Tetradecanoic acid 4.25511E-05 0.000270956 3.977E-05 0.000520675 1.64221E-05 7.83458E-05 1.01242E-05 1.61362E-05 0.000358495 2.92764E-05 2.36319E-05 1.95144E-05 9.86842E-05 2.06254E-05 0.005374933 0.00485501 0.001689956 0.001633633 0.051613429 0.004299403 0.001331294 0.000822902 0.003482927 0.001111373 0.001528548 0.000771341 0.008046537 0.000838677 0.336454994 0.869109853 0.704768157 0.538788951 0.47224926 0.437570676 0.834484466 1.23713787 0.595502297 1.778760266 0.699217074 0.639930053 0.281203977 0.084713377 0.168322829 0.09828114 0.106815737 0.049259642 0.742832487 0.148242097 0.060280709 0.084046955 0.098854981 0.036834626 0.038929855 0.026105325 0.043577137 0.001743468 0.001083507 0.000860603 0.00290464 0.00148699 0.001528037 0.001487424 0.001922499 0.006055529 0.003570171 0.042835747 0.003440213 0.002100317
Pentadecanoic acid 2.41687E-05 0.000356116 3.93037E-05 0.000799524 2.05428E-05 0.000106174 1.12721E-05 1.68861E-05 0.000738524 2.87632E-05 1.89862E-05 1.72246E-05 5.55565E-05 3.93818E-05 0.010396884 0.00723923 0.002389577 0.002048283 0.072961104 0.006003005 0.001386823 0.000746909 0.002904273 0.000830984 0.000819015 0.000546753 0.008443589 0.000741242 0.164999045 0.299762128 0.280747666 0.16971631 0.266803447 0.325021896 0.365010263 0.233349948 0.136777395 0.210098126 0.134226332 0.061799634 0.024688897 0.019095265 0.043651232 0.034797596 0.032589806 0.011432311 0.72056135 0.034932625 0.019019708 0.014026256 0.015172617 0.005826941 0.008568157 0.005862865 0.025939343 0.001037854 0.000745398 0.00039414 0.002659192 0.00076083 0.000782299 0.000699505 0.000457879 0.010617333 0.004060567 0.06083453 0.003056456 0.001880373
Hexadecanoic acid 0.001585255 0.003308115 0.00150748 0.006787628 0.001748596 0.00222066 0.000953882 0.001413863 0.002638937 0.002700023 0.001933841 0.001987268 0.009461137 0.000287015 0.071138515 0.067700316 0.035260378 0.028806142 0.524938042 0.073027178 0.049098107 0.038316844 0.067519143 0.061400805 0.049121188 0.043596393 0.157466413 0.046213928 1.301497192 1.100193169 1.596689261 1.905560347 0 0.854379368 1.811736629 1.479206505 0.404125174 1.83890719 1.692041111 1.411799612 0.710083147 0.846117521 1.1257165 0.7293169 0.924859869 0.457969405 2.875378848 1.102788971 0.708116164 0.599912398 0.820286468 0.388157703 0.512301134 0.252146467 0.523546312 0.076005662 0.051403677 0.036699634 0.071014749 0.073907125 0.062968318 0.069312749 0.079642502 0.240847266 0.074137683 0.300073047 0.123131868 0.112744791
Heptadecanoic acid 4.11548E-05 0.000845456 7.55863E-05 0.001404114 3.78434E-05 0.000194537 1.47806E-05 2.57474E-05 0.003084086 3.62045E-05 2.19206E-05 1.78223E-05 6.92901E-05 0.000217177 0.052998209 0.038809359 0.015524269 0.007861998 0.325078545 0.021611008 0.005282435 0.002133503 0.007750813 0.002241229 0.002645948 0.001395709 0.024237595 0.001295513 0.137762164 0.242090854 0.166044135 0.084435021 0.204954307 0.148593476 0.213740749 0.155160082 0.107363625 0.136603328 0.078244976 0.109394229 0.018137601 0.011561737 0.01842721 0.041989242 0.015691795 0.014695418 0.626569154 0.034547375 0.023898506 0.017686678 0.037768652 0.012252112 0.008572372 0.006788875 0.016841427 0.001574661 0.002046346 0.000911156 0.004663707 0.000704336 0.000823634 0.001541378 0.001412385 0.009511751 0.019908389 0.192605648 0.006784845 0.003442016
Octadecanoic acid 0.000755062 0.002881496 0.00086076 0.004442655 0.000985394 0.0012574 0.000524344 0.000780867 0.002859047 0.001430917 0.001012153 0.001132973 0.004383478 0.000252608 0.071023884 0.064887115 0.030733807 0.02228589 0.741189027 0.070129098 0.029457805 0.019986068 0.048704158 0.031105755 0.026065032 0.023422126 0.157158165 0.023978161 0.921285785 0.879868247 1.006300713 1.625221921 0.051023492 0.724749229 1.332313194 0.881514158 0.260076206 0.804340216 0.757492922 0.260947219 0.237668167 0.577201251 0.692911281 0.60565467 0.69436557 0.325503173 3.673623932 0.870541038 0.513959152 0.476361296 0.674142628 0.288094524 0.385670958 0.188787061 0.398015449 0.037451875 0.022378092 0.017963316 0.049312428 0.030376118 0.028664969 0.039650402 0.046517709 0.149382131 0.046985551 0.380190005 0.067981551 0.058620972
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Acetate
Propionate
Butyrate
Isovalerate
Valerate
Hexanoate
Heptanoate
Octanoic acid
Nonanoic acid
Decanoic acid
Undecanoic acid
Dodecanoic acid
Tridecanoic acid
Tetradecanoic acid
Pentadecanoic acid
Hexadecanoic acid
Heptadecanoic acid
Octadecanoic acid
METABOLITES_END
#END