# HG changeset patch # User fgiacomoni # Date 1487767056 18000 # Node ID 11779b6402bcf0e728ef13ab33621799689ab1e5 # Parent 4dc76dcbd1e752565d21c23781c429537f57db30 planemo upload for repository https://github.com/workflow4metabolomics/tool-bank-golm-lib_search.git commit a2892b221abe5a68ef271266a36b66894fcf9bde diff -r 4dc76dcbd1e7 -r 11779b6402bc golm_ws_lib_search.pl --- a/golm_ws_lib_search.pl Mon Dec 05 08:41:00 2016 -0500 +++ b/golm_ws_lib_search.pl Wed Feb 22 07:37:36 2017 -0500 @@ -242,7 +242,7 @@ $default_ri, $default_ri_window, $default_gc_column) ; push (@hits , $limited_hits) ; } - + ############# -------------- Build outputs -------------- ############# : diff -r 4dc76dcbd1e7 -r 11779b6402bc golm_ws_lib_search.xml --- a/golm_ws_lib_search.xml Mon Dec 05 08:41:00 2016 -0500 +++ b/golm_ws_lib_search.xml Wed Feb 22 07:37:36 2017 -0500 @@ -1,15 +1,15 @@ - + : GC-MS Mass Spectral Database. - + @@ -22,7 +22,7 @@ -output_tabular "$GolmOutTab" -output_html "$GolmOutWeb" -output_xls "$GolmOutXlsx" #else: -inputMasses "${input_type.mass}" - -output_tabular "$GolmOutTab2" -output_html "$GolmOutWeb2" -output_xls "$GolmResXlsx2" + -output_tabular "$GolmOutTab2" -output_html "$GolmOutWeb2" -output_xls "$GolmOutXlsx2" #end if -ri "$ri" -riWindow "$riWindow" @@ -84,13 +84,13 @@ input_type['choice'] == "NO" - + + input_type['choice'] == "NO" - + + input_type['choice'] == "NO" - @@ -154,6 +154,8 @@ + + new() ; if ($maxHits == 100 && $status eq 'success') { @@ -235,7 +235,7 @@ } else { carp "The spectrum for query is undef, Golm soap will stop.\n" ; } - return \@filtered_limited_res ; +# return \@filtered_limited_res ; } ### END of SUB @@ -261,12 +261,25 @@ my @results = @$results ; my @filtered_res = () ; + ## Adjust threshold + $JaccardDistanceThreshold = sprintf("%.6f", $JaccardDistanceThreshold) ; + $s12GowerLegendreDistanceThreshold = sprintf("%.6f", $s12GowerLegendreDistanceThreshold) ; + $DotproductDistanceThreshold = sprintf("%.6f", $DotproductDistanceThreshold) ; +# $HammingDistanceThreshold = sprintf("%.6f", $HammingDistanceThreshold); + $EuclideanDistanceThreshold = sprintf("%.6f", $EuclideanDistanceThreshold); + foreach my $res (@results){ + + $res->{'JaccardDistance'} = sprintf("%.6f", $res->{'JaccardDistance'}) ; + $res->{'s12GowerLegendreDistance'} = sprintf("%.6f", $res->{'s12GowerLegendreDistance'}) ; + $res->{'DotproductDistance'} = sprintf("%.6f", $res->{'DotproductDistance'}) ; +# $res->{'HammingDistance'} = sprintf("%.6f", $res->{'HammingDistance'}) ; + $res->{'EuclideanDistance'} = sprintf("%.6f", $res->{'EuclideanDistance'}) ; if ($res->{'JaccardDistance'} <= $JaccardDistanceThreshold && $res->{'s12GowerLegendreDistance'} <= $s12GowerLegendreDistanceThreshold - && $res->{'DotproductDistance' } <= $DotproductDistanceThreshold && $res->{'HammingDistance'} <= $HammingDistanceThreshold && - $res->{'EuclideanDistance' } <= $EuclideanDistanceThreshold) { - + && $res->{'DotproductDistance'} <= $DotproductDistanceThreshold && $res->{'HammingDistance'} <= $HammingDistanceThreshold && + $res->{'EuclideanDistance'} <= $EuclideanDistanceThreshold) { + push (@filtered_res , $res) ; } } diff -r 4dc76dcbd1e7 -r 11779b6402bc planemo_test.sh --- a/planemo_test.sh Mon Dec 05 08:41:00 2016 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,3 +0,0 @@ -planemo conda_init --conda_prefix /tmp/mc/ -planemo conda_install --conda_prefix /tmp/mc/ . -planemo test --install_galaxy --conda_dependency_resolution --conda_prefix /tmp/mc/ --no_cleanup diff -r 4dc76dcbd1e7 -r 11779b6402bc test-data/output01.html --- a/test-data/output01.html Mon Dec 05 08:41:00 2016 -0500 +++ b/test-data/output01.html Wed Feb 22 07:37:36 2017 -0500 @@ -6,6 +6,6 @@ $('.buttons-copy').each(function(){$(this).attr("id","mytooltip2");}) $('.buttons-collection').each(function(){$(this).attr("id","mytooltip3");}) for(var i=0;i<12;i++){$($($("table.display.stripe.dataTable")[2]).find("th")[i]).css('width',$($($("table.display.stripe.dataTable")[0]).find("th")[i]).css('width'));}});$(document).on('click','.ripple',function(e){var $rippleElement=$(''),$buttonElement=$(this),btnOffset=$buttonElement.offset(),xPos=e.pageX-btnOffset.left,yPos=e.pageY-btnOffset.top,size=parseInt(Math.min($buttonElement.height(),$buttonElement.width())*0.5),animateSize=parseInt(Math.max($buttonElement.width(),$buttonElement.height())*Math.PI);$rippleElement.css({top:yPos,left:xPos,width:size,height:size,backgroundColor:$buttonElement.data("ripple-color")}).appendTo($buttonElement).animate({width:animateSize,height:animateSize,opacity:0},700,function(){$(this).remove();});}); -Golm Search Results

Visualization of Golm Database Results

NAMESRETENTION INFOSDISTANCE SCORESIDs
N° SpectresSpectrumAnalyteRetention IndexRI DiscrepancyDot productEuclideanJaccardHammings12 Gower-LegendreSpectrum idMetabolite idAnalyte id
N° SpectreSpectrumAnalyteRetention IndexRI DiscrepancyDot productEuclideanJaccardHammings12 Gower-LegendreSpectrum idMetabolite idAnalyte id
1Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.48618270.08715850.85156251090.784043431833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
1Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.48754650.08694170420.8527131681100.7849970466e056b61-4da9-46e3-970b-680a22e4afd0dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
1Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.49015540.08617770.85606061130.7877858d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
1Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.49145750.094101480.8558559950.804233432817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
1Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4972267750.09103358540.851020.78832155527d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
2no results
3Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.4870519640.08689760420.86046511110.79687833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
3Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.48836180.086679060.861538471120.7977589376e056b61-4da9-46e3-970b-680a22e4afd0dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
3Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4911377430.08593910.8646616341150.8003591d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
3Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.49188840.093721510.8660714970.817842841817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
3Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.498281270.09075270590.85950411040.801549427d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
4no results
print
copy
export


What can the table do ?

  • filter_list By default, the spectra numbers (N° Spectra) are ordered by ascending values. You can manage your data ordering as you wish. You can even order data according to multiple columns: SHIFT + LEFT CLICK on column headers. This will order by the first column clicked, then the second, etc. You can sort data specifically by clicking on any entry in boxes under each columns.
  • delete_sweep You can delete multiple entries that are selected: Select wanted entries and click on the button DELETE SELECTED ROWS.
  • remove_red_eye You have the possibility to toggle columns by clicking on SHOW MORE.
  • save You can print, copy, or export to excel and csv the table on its actual state, with the three buttons right above the table.

Distances scores

S12Gower-Legendre Distance The distance measure S12GowLeg = sqrt(1 - s12) is derived from the S12 coefficient of Gower & Legendre defined as s12 = a / sqrt((a + b)(a + c)), with "a" representing the number of positions at which both spectra are in "on-state" and "b" respectively "c" representing the number of positions at which only the query spectrum or the hit spectrum are in "on-state".
Hamming Distance In information theory, the Hamming distance between two strings of equal length is the number of positions for which the corresponding symbols are different. Put another way, it measures the minimum number of substitutions required to change one into the other, or the number of errors that transformed one string into the other.
Jaccard DistanceNumber of matches (a mass with appropriate intensity in both spectra) divided by the sum of matches and mismatches (a mass where only one of both spectra has a intensity). The jaccard distance is a binary distance.
Dotproduct DistanceThe Dotproduct distance is summing the multiplied intensities over all matching peaks within both spectra. Here, to satisfy the conditions of a metric I) non-negativity, II) identity of indiscernibles, III) symmetry and IV) subadditivity / triangle inequality, we use 1-Dotproduct. Both spectra are normalised prior to the spectral vector norm in that way, that the absolute value of the squared intensities is equal to 1.
Euclidean DistanceThe Euclid is the square root of the sum of the squared differences over all matching peaks.


+Golm Search Results

Visualization of Golm Database Results

NAMESRETENTION INFOSDISTANCE SCORESIDs
N° SpectresSpectrumAnalyteRetention IndexRI DiscrepancyDot productEuclideanJaccardHammings12 Gower-LegendreSpectrum idMetabolite idAnalyte id
N° SpectreSpectrumAnalyteRetention IndexRI DiscrepancyDot productEuclideanJaccardHammings12 Gower-LegendreSpectrum idMetabolite idAnalyte id
1Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.4861830.0871580.8515621090.784043833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
1Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4875460.0869420.8527131100.7849976e056b61-4da9-46e3-970b-680a22e4afd0dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
1Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4901550.0861780.8560611130.787786d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
1Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.4914570.0941010.855856950.804233817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
1Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4972270.0910340.8500001020.78832227d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
2no results
3Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.4870520.0868980.8604651110.796870833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
3Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4883620.0866790.8615381120.7977596e056b61-4da9-46e3-970b-680a22e4afd0dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
3Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4911380.0859390.8646621150.800359d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
3Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.4918880.0937220.866071970.817843817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
3Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4982810.0907530.8595041040.80154927d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
4no results
print
copy
export


What can the table do ?

  • filter_list By default, the spectra numbers (N° Spectra) are ordered by ascending values. You can manage your data ordering as you wish. You can even order data according to multiple columns: SHIFT + LEFT CLICK on column headers. This will order by the first column clicked, then the second, etc. You can sort data specifically by clicking on any entry in boxes under each columns.
  • delete_sweep You can delete multiple entries that are selected: Select wanted entries and click on the button DELETE SELECTED ROWS.
  • remove_red_eye You have the possibility to toggle columns by clicking on SHOW MORE.
  • save You can print, copy, or export to excel and csv the table on its actual state, with the three buttons right above the table.

Distances scores

S12Gower-Legendre Distance The distance measure S12GowLeg = sqrt(1 - s12) is derived from the S12 coefficient of Gower & Legendre defined as s12 = a / sqrt((a + b)(a + c)), with "a" representing the number of positions at which both spectra are in "on-state" and "b" respectively "c" representing the number of positions at which only the query spectrum or the hit spectrum are in "on-state".
Hamming Distance In information theory, the Hamming distance between two strings of equal length is the number of positions for which the corresponding symbols are different. Put another way, it measures the minimum number of substitutions required to change one into the other, or the number of errors that transformed one string into the other.
Jaccard DistanceNumber of matches (a mass with appropriate intensity in both spectra) divided by the sum of matches and mismatches (a mass where only one of both spectra has a intensity). The jaccard distance is a binary distance.
Dotproduct DistanceThe Dotproduct distance is summing the multiplied intensities over all matching peaks within both spectra. Here, to satisfy the conditions of a metric I) non-negativity, II) identity of indiscernibles, III) symmetry and IV) subadditivity / triangle inequality, we use 1-Dotproduct. Both spectra are normalised prior to the spectral vector norm in that way, that the absolute value of the squared intensities is equal to 1.
Euclidean DistanceThe Euclid is the square root of the sum of the squared differences over all matching peaks.


\ No newline at end of file diff -r 4dc76dcbd1e7 -r 11779b6402bc test-data/output01.tabular --- a/test-data/output01.tabular Mon Dec 05 08:41:00 2016 -0500 +++ b/test-data/output01.tabular Wed Feb 22 07:37:36 2017 -0500 @@ -1,13 +1,13 @@ "Num Spectre" "Analyte Name" "Spectrum Name" "Retention Index" "RI Discrepancy" "DotproductDistance" "EuclideanDistance" "JaccardDistance" "HammingDistance" "s12GowerLegendreDistance" "Spectrum ID" "Metabolite ID" "Analyte ID" -"1" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.4861827" "0.0871585" "0.8515625" "109" "0.784043431" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"1" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]" "1902.42212" "4.422119" "0.4875465" "0.0869417042" "0.852713168" "110" "0.784997046" "6e056b61-4da9-46e3-970b-680a22e4afd0" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"1" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.4901554" "0.0861777" "0.8560606" "113" "0.7877858" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"1" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.4914575" "0.09410148" "0.8558559" "95" "0.804233432" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" -"1" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.497226775" "0.0910335854" "0.85" "102" "0.788321555" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"1" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.486183" "0.087158" "0.851562" "109" "0.784043" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"1" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]" "1902.42212" "4.422119" "0.487546" "0.086942" "0.852713" "110" "0.784997" "6e056b61-4da9-46e3-970b-680a22e4afd0" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"1" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.490155" "0.086178" "0.856061" "113" "0.787786" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"1" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.491457" "0.094101" "0.855856" "95" "0.804233" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"1" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.497227" "0.091034" "0.850000" "102" "0.788322" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" "2" "" "no results" "" "" "" "" "" "" "" "" "" "" -"3" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.487051964" "0.0868976042" "0.8604651" "111" "0.79687" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"3" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]" "1902.42212" "4.422119" "0.4883618" "0.08667906" "0.86153847" "112" "0.797758937" "6e056b61-4da9-46e3-970b-680a22e4afd0" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"3" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.491137743" "0.0859391" "0.864661634" "115" "0.8003591" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"3" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.4918884" "0.09372151" "0.8660714" "97" "0.817842841" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" -"3" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.49828127" "0.0907527059" "0.8595041" "104" "0.8015494" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"3" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.487052" "0.086898" "0.860465" "111" "0.796870" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"3" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]" "1902.42212" "4.422119" "0.488362" "0.086679" "0.861538" "112" "0.797759" "6e056b61-4da9-46e3-970b-680a22e4afd0" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"3" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.491138" "0.085939" "0.864662" "115" "0.800359" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"3" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.491888" "0.093722" "0.866071" "97" "0.817843" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"3" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.498281" "0.090753" "0.859504" "104" "0.801549" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" "4" "" "no results" "" "" "" "" "" "" "" "" "" "" diff -r 4dc76dcbd1e7 -r 11779b6402bc test-data/output01.txt --- a/test-data/output01.txt Mon Dec 05 08:41:00 2016 -0500 +++ b/test-data/output01.txt Wed Feb 22 07:37:36 2017 -0500 @@ -1,13 +1,13 @@ Num Spectre Analyte Name Spectrum Name Retention Index RI Discrepancy DotproductDistance EuclideanDistance JaccardDistance HammingDistance s12GowerLegendreDistance Spectrum ID Metabolite ID Analyte ID -1 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.4861827 0.0871585 0.8515625 109 0.784043431 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -1 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6] 1902.42212 4.422119 0.4875465 0.0869417042 0.852713168 110 0.784997046 6e056b61-4da9-46e3-970b-680a22e4afd0 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -1 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.4901554 0.0861777 0.8560606 113 0.7877858 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -1 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.4914575 0.09410148 0.8558559 95 0.804233432 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 -1 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.497226775 0.0910335854 0.85 102 0.788321555 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +1 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.486183 0.087158 0.851562 109 0.784043 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +1 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6] 1902.42212 4.422119 0.487546 0.086942 0.852713 110 0.784997 6e056b61-4da9-46e3-970b-680a22e4afd0 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +1 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.490155 0.086178 0.856061 113 0.787786 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +1 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.491457 0.094101 0.855856 95 0.804233 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +1 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.497227 0.091034 0.850000 102 0.788322 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 2 no results -3 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.487051964 0.0868976042 0.8604651 111 0.79687 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -3 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6] 1902.42212 4.422119 0.4883618 0.08667906 0.86153847 112 0.797758937 6e056b61-4da9-46e3-970b-680a22e4afd0 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -3 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.491137743 0.0859391 0.864661634 115 0.8003591 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -3 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.4918884 0.09372151 0.8660714 97 0.817842841 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 -3 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.49828127 0.0907527059 0.8595041 104 0.8015494 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +3 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.487052 0.086898 0.860465 111 0.796870 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +3 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6] 1902.42212 4.422119 0.488362 0.086679 0.861538 112 0.797759 6e056b61-4da9-46e3-970b-680a22e4afd0 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +3 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.491138 0.085939 0.864662 115 0.800359 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +3 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.491888 0.093722 0.866071 97 0.817843 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +3 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.498281 0.090753 0.859504 104 0.801549 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 4 no results diff -r 4dc76dcbd1e7 -r 11779b6402bc test-data/output02.html --- a/test-data/output02.html Mon Dec 05 08:41:00 2016 -0500 +++ b/test-data/output02.html Wed Feb 22 07:37:36 2017 -0500 @@ -6,6 +6,6 @@ $('.buttons-copy').each(function(){$(this).attr("id","mytooltip2");}) $('.buttons-collection').each(function(){$(this).attr("id","mytooltip3");}) for(var i=0;i<12;i++){$($($("table.display.stripe.dataTable")[2]).find("th")[i]).css('width',$($($("table.display.stripe.dataTable")[0]).find("th")[i]).css('width'));}});$(document).on('click','.ripple',function(e){var $rippleElement=$(''),$buttonElement=$(this),btnOffset=$buttonElement.offset(),xPos=e.pageX-btnOffset.left,yPos=e.pageY-btnOffset.top,size=parseInt(Math.min($buttonElement.height(),$buttonElement.width())*0.5),animateSize=parseInt(Math.max($buttonElement.width(),$buttonElement.height())*Math.PI);$rippleElement.css({top:yPos,left:xPos,width:size,height:size,backgroundColor:$buttonElement.data("ripple-color")}).appendTo($buttonElement).animate({width:animateSize,height:animateSize,opacity:0},700,function(){$(this).remove();});}); -Golm Search Results

Visualization of Golm Database Results

NAMESRETENTION INFOSDISTANCE SCORESIDs
N° SpectresSpectrumAnalyteRetention IndexRI DiscrepancyDot productEuclideanJaccardHammings12 Gower-LegendreSpectrum idMetabolite idAnalyte id
N° SpectreSpectrumAnalyteRetention IndexRI DiscrepancyDot productEuclideanJaccardHammings12 Gower-LegendreSpectrum idMetabolite idAnalyte id
1Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.003765737640.006486521570.2849162510.404159725dd5bb721-ce4f-4cec-99ff-de2cb818304d68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
1Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.00416102540.0073273650.238709673370.367506444d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
1Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.0048386380.0071180090.31937173610.428936034c1226b8e-944e-4d32-ae01-8a9d12465d34dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
1Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.0481925420.020560680.44736841020.52243512b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
1Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.06824475530.0279274080.514285743900.58634527d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
1Allantoin (5TMS) [A188009-ambient-na-6]Allantoin (5TMS)1896.998291.0017090.078004860.027929350.6151230.6662978063fa226-ed62-4d9f-9d5c-ee52c0974e55a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
1Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.08963457490.02073407730.66666672780.652211185927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
1Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.1119772870.02649625760.65517242090.6738938698bbd7202-8794-4486-8b16-61d8dff4c5bd87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
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What can the table do ?

  • filter_list By default, the spectra numbers (N° Spectra) are ordered by ascending values. You can manage your data ordering as you wish. You can even order data according to multiple columns: SHIFT + LEFT CLICK on column headers. This will order by the first column clicked, then the second, etc. You can sort data specifically by clicking on any entry in boxes under each columns.
  • delete_sweep You can delete multiple entries that are selected: Select wanted entries and click on the button DELETE SELECTED ROWS.
  • remove_red_eye You have the possibility to toggle columns by clicking on SHOW MORE.
  • save You can print, copy, or export to excel and csv the table on its actual state, with the three buttons right above the table.

Distances scores

S12Gower-Legendre Distance The distance measure S12GowLeg = sqrt(1 - s12) is derived from the S12 coefficient of Gower & Legendre defined as s12 = a / sqrt((a + b)(a + c)), with "a" representing the number of positions at which both spectra are in "on-state" and "b" respectively "c" representing the number of positions at which only the query spectrum or the hit spectrum are in "on-state".
Hamming Distance In information theory, the Hamming distance between two strings of equal length is the number of positions for which the corresponding symbols are different. Put another way, it measures the minimum number of substitutions required to change one into the other, or the number of errors that transformed one string into the other.
Jaccard DistanceNumber of matches (a mass with appropriate intensity in both spectra) divided by the sum of matches and mismatches (a mass where only one of both spectra has a intensity). The jaccard distance is a binary distance.
Dotproduct DistanceThe Dotproduct distance is summing the multiplied intensities over all matching peaks within both spectra. Here, to satisfy the conditions of a metric I) non-negativity, II) identity of indiscernibles, III) symmetry and IV) subadditivity / triangle inequality, we use 1-Dotproduct. Both spectra are normalised prior to the spectral vector norm in that way, that the absolute value of the squared intensities is equal to 1.
Euclidean DistanceThe Euclid is the square root of the sum of the squared differences over all matching peaks.


+Golm Search Results

Visualization of Golm Database Results

NAMESRETENTION INFOSDISTANCE SCORESIDs
N° SpectresSpectrumAnalyteRetention IndexRI DiscrepancyDot productEuclideanJaccardHammings12 Gower-LegendreSpectrum idMetabolite idAnalyte id
N° SpectreSpectrumAnalyteRetention IndexRI DiscrepancyDot productEuclideanJaccardHammings12 Gower-LegendreSpectrum idMetabolite idAnalyte id
1Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.0037660.0064870.284916510.404160dd5bb721-ce4f-4cec-99ff-de2cb818304d68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
1Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.0041610.0073270.238710370.367506d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
1Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.0048390.0071180.319372610.428936c1226b8e-944e-4d32-ae01-8a9d12465d34dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
1Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.0481930.0205610.4473681020.5224352b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
1Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.0682450.0279270.514286900.58634527d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
1Allantoin (5TMS) [A188009-ambient-na-6]Allantoin (5TMS)1896.998291.0017090.0780050.0279290.6150001230.666298063fa226-ed62-4d9f-9d5c-ee52c0974e55a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
1Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.0896350.0207340.6666672780.65221185927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
1Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.1119770.0264960.6551722090.6738948bbd7202-8794-4486-8b16-61d8dff4c5bd87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
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What can the table do ?

  • filter_list By default, the spectra numbers (N° Spectra) are ordered by ascending values. You can manage your data ordering as you wish. You can even order data according to multiple columns: SHIFT + LEFT CLICK on column headers. This will order by the first column clicked, then the second, etc. You can sort data specifically by clicking on any entry in boxes under each columns.
  • delete_sweep You can delete multiple entries that are selected: Select wanted entries and click on the button DELETE SELECTED ROWS.
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  • save You can print, copy, or export to excel and csv the table on its actual state, with the three buttons right above the table.

Distances scores

S12Gower-Legendre Distance The distance measure S12GowLeg = sqrt(1 - s12) is derived from the S12 coefficient of Gower & Legendre defined as s12 = a / sqrt((a + b)(a + c)), with "a" representing the number of positions at which both spectra are in "on-state" and "b" respectively "c" representing the number of positions at which only the query spectrum or the hit spectrum are in "on-state".
Hamming Distance In information theory, the Hamming distance between two strings of equal length is the number of positions for which the corresponding symbols are different. Put another way, it measures the minimum number of substitutions required to change one into the other, or the number of errors that transformed one string into the other.
Jaccard DistanceNumber of matches (a mass with appropriate intensity in both spectra) divided by the sum of matches and mismatches (a mass where only one of both spectra has a intensity). The jaccard distance is a binary distance.
Dotproduct DistanceThe Dotproduct distance is summing the multiplied intensities over all matching peaks within both spectra. Here, to satisfy the conditions of a metric I) non-negativity, II) identity of indiscernibles, III) symmetry and IV) subadditivity / triangle inequality, we use 1-Dotproduct. Both spectra are normalised prior to the spectral vector norm in that way, that the absolute value of the squared intensities is equal to 1.
Euclidean DistanceThe Euclid is the square root of the sum of the squared differences over all matching peaks.


\ No newline at end of file diff -r 4dc76dcbd1e7 -r 11779b6402bc test-data/output02.tabular --- a/test-data/output02.tabular Mon Dec 05 08:41:00 2016 -0500 +++ b/test-data/output02.tabular Wed Feb 22 07:37:36 2017 -0500 @@ -1,9 +1,9 @@ "Num Spectre" "Analyte Name" "Spectrum Name" "Retention Index" "RI Discrepancy" "DotproductDistance" "EuclideanDistance" "JaccardDistance" "HammingDistance" "s12GowerLegendreDistance" "Spectrum ID" "Metabolite ID" "Analyte ID" -"1" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]" "1899.05493" "1.054953" "0.00376573764" "0.00648652157" "0.2849162" "51" "0.404159725" "dd5bb721-ce4f-4cec-99ff-de2cb818304d" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"1" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.0041610254" "0.007327365" "0.238709673" "37" "0.367506444" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"1" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]" "1902.42212" "4.422119" "0.004838638" "0.007118009" "0.31937173" "61" "0.428936034" "c1226b8e-944e-4d32-ae01-8a9d12465d34" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"1" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.048192542" "0.02056068" "0.4473684" "102" "0.5224351" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"1" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.0682447553" "0.027927408" "0.514285743" "90" "0.586345" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"1" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-6]" "1896.99829" "1.001709" "0.07800486" "0.02792935" "0.615" "123" "0.6662978" "063fa226-ed62-4d9f-9d5c-ee52c0974e55" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" -"1" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.0896345749" "0.0207340773" "0.6666667" "278" "0.6522111" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" -"1" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]" "1902.77417" "4.77417" "0.111977287" "0.0264962576" "0.6551724" "209" "0.673893869" "8bbd7202-8794-4486-8b16-61d8dff4c5bd" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" +"1" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]" "1899.05493" "1.054953" "0.003766" "0.006487" "0.284916" "51" "0.404160" "dd5bb721-ce4f-4cec-99ff-de2cb818304d" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"1" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.004161" "0.007327" "0.238710" "37" "0.367506" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"1" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]" "1902.42212" "4.422119" "0.004839" "0.007118" "0.319372" "61" "0.428936" "c1226b8e-944e-4d32-ae01-8a9d12465d34" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"1" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.048193" "0.020561" "0.447368" "102" "0.522435" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"1" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.068245" "0.027927" "0.514286" "90" "0.586345" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"1" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-6]" "1896.99829" "1.001709" "0.078005" "0.027929" "0.615000" "123" "0.666298" "063fa226-ed62-4d9f-9d5c-ee52c0974e55" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"1" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.089635" "0.020734" "0.666667" "278" "0.652211" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"1" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]" "1902.77417" "4.77417" "0.111977" "0.026496" "0.655172" "209" "0.673894" "8bbd7202-8794-4486-8b16-61d8dff4c5bd" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" diff -r 4dc76dcbd1e7 -r 11779b6402bc test-data/output02.txt --- a/test-data/output02.txt Mon Dec 05 08:41:00 2016 -0500 +++ b/test-data/output02.txt Wed Feb 22 07:37:36 2017 -0500 @@ -1,9 +1,9 @@ Num Spectre Analyte Name Spectrum Name Retention Index RI Discrepancy DotproductDistance EuclideanDistance JaccardDistance HammingDistance s12GowerLegendreDistance Spectrum ID Metabolite ID Analyte ID -1 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23] 1899.05493 1.054953 0.00376573764 0.00648652157 0.2849162 51 0.404159725 dd5bb721-ce4f-4cec-99ff-de2cb818304d 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -1 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.0041610254 0.007327365 0.238709673 37 0.367506444 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -1 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9] 1902.42212 4.422119 0.004838638 0.007118009 0.31937173 61 0.428936034 c1226b8e-944e-4d32-ae01-8a9d12465d34 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -1 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.048192542 0.02056068 0.4473684 102 0.5224351 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -1 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.0682447553 0.027927408 0.514285743 90 0.586345 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -1 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-6] 1896.99829 1.001709 0.07800486 0.02792935 0.615 123 0.6662978 063fa226-ed62-4d9f-9d5c-ee52c0974e55 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 -1 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.0896345749 0.0207340773 0.6666667 278 0.6522111 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 -1 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9] 1902.77417 4.77417 0.111977287 0.0264962576 0.6551724 209 0.673893869 8bbd7202-8794-4486-8b16-61d8dff4c5bd 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f +1 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23] 1899.05493 1.054953 0.003766 0.006487 0.284916 51 0.404160 dd5bb721-ce4f-4cec-99ff-de2cb818304d 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +1 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.004161 0.007327 0.238710 37 0.367506 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +1 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9] 1902.42212 4.422119 0.004839 0.007118 0.319372 61 0.428936 c1226b8e-944e-4d32-ae01-8a9d12465d34 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +1 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.048193 0.020561 0.447368 102 0.522435 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +1 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.068245 0.027927 0.514286 90 0.586345 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +1 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-6] 1896.99829 1.001709 0.078005 0.027929 0.615000 123 0.666298 063fa226-ed62-4d9f-9d5c-ee52c0974e55 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +1 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.089635 0.020734 0.666667 278 0.652211 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +1 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9] 1902.77417 4.77417 0.111977 0.026496 0.655172 209 0.673894 8bbd7202-8794-4486-8b16-61d8dff4c5bd 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f diff -r 4dc76dcbd1e7 -r 11779b6402bc test-data/output03.html --- a/test-data/output03.html Mon Dec 05 08:41:00 2016 -0500 +++ b/test-data/output03.html Wed Feb 22 07:37:36 2017 -0500 @@ -6,6 +6,6 @@ $('.buttons-copy').each(function(){$(this).attr("id","mytooltip2");}) $('.buttons-collection').each(function(){$(this).attr("id","mytooltip3");}) for(var i=0;i<12;i++){$($($("table.display.stripe.dataTable")[2]).find("th")[i]).css('width',$($($("table.display.stripe.dataTable")[0]).find("th")[i]).css('width'));}});$(document).on('click','.ripple',function(e){var $rippleElement=$(''),$buttonElement=$(this),btnOffset=$buttonElement.offset(),xPos=e.pageX-btnOffset.left,yPos=e.pageY-btnOffset.top,size=parseInt(Math.min($buttonElement.height(),$buttonElement.width())*0.5),animateSize=parseInt(Math.max($buttonElement.width(),$buttonElement.height())*Math.PI);$rippleElement.css({top:yPos,left:xPos,width:size,height:size,backgroundColor:$buttonElement.data("ripple-color")}).appendTo($buttonElement).animate({width:animateSize,height:animateSize,opacity:0},700,function(){$(this).remove();});}); -Golm Search Results

Visualization of Golm Database Results

NAMESRETENTION INFOSDISTANCE SCORESIDs
N° SpectresSpectrumAnalyteRetention IndexRI DiscrepancyDot productEuclideanJaccardHammings12 Gower-LegendreSpectrum idMetabolite idAnalyte id
N° SpectreSpectrumAnalyteRetention IndexRI DiscrepancyDot productEuclideanJaccardHammings12 Gower-LegendreSpectrum idMetabolite idAnalyte id
1Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4171258510.0474840440.61081082260.6284398441b34c722-1fd3-4d61-a48b-da2614f96e23d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
2Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.44965680.073383320.77844311300.79610866334a5b91e-e473-4ed6-9a40-067e0cd944f968513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
2Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.48844240.05949317290.752070.73565029c570b75-fe0c-43b8-9311-7b8af17dd55bdd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
3Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.386355430.04067710790.82012853830.77845060bfc9541-70d5-4d50-89c4-351a87971133dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
3Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.3971792460.067566850.752873541310.77636134a5b91e-e473-4ed6-9a40-067e0cd944f968513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
3Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4321959320.071306790.6294117571070.6740747d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
3Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4425192770.0502860.762660.73618430d5164ce-be48-454d-979b-ed8b92e32c1d441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
3Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.4442373810.049887120.7170868522560.6841814c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
3Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-1]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.44798480.04914277790.73045822710.69476967508f46a-70b0-43eb-b5b6-0421ff41c0e887e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
3Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.4521637560.063257010.61061951380.632476332b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
3Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.4744854270.04939143360.74293062890.7034532754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
4Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.402545720.057918460.4458333251070.5287282b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
4Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4033591150.04138571770.70488323320.6942460540bfc9541-70d5-4d50-89c4-351a87971133dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
4Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.4106971620.064085660.561120.6205492833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
4Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.41704150.048134160.630555572270.6510030d5164ce-be48-454d-979b-ed8b92e32c1d441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
4Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.4181625250.04840090.5518207551970.5749244c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
4Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.42135450.063347450.6095238331280.6601182d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
4Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4231687190.04510504380.6177884342570.618837985927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
4Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.4458225670.05136149750.54733731850.5789296637e14465a-7065-490c-9e50-e625c1c14f4d87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
5Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.3547635380.069239450.6554054970.69812538d439b60-424f-46f7-b996-c0c2114f797e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
5Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.4022863510.03828216340.82513664530.76509248bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
5Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4119387270.04590320.76726343000.7286308411f3b3037-bb9d-45fa-9a9c-70cc299da470dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
5Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4119387570.08151180.661290348820.6967813376c360eba-d726-44d9-a666-d0695d8448cf441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
5Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4249585570.07133950.62275451040.6678984d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
5Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.4849402310.05212247370.72549022590.6899733c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
5Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4885648190.04846513640.76682693190.72042453385927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
6Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.3155860.052614620.5789473651320.60027238d439b60-424f-46f7-b996-c0c2114f797e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
6Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--1]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.319162220.05167991670.5564853551330.5977888c3592e5c-0d20-406b-ac62-32bd60255cafdd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
6Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.3567753730.055578450.463203461070.5265545d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
6Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.3750959340.036932170.63300.6083525428bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
6Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.3865597250.051992450.2972028850.41424268511e07008-ff9d-4d76-9b09-590beaa90f222b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
6Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.3894544840.05138452350.3864406651140.4878328ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
6Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4538403750.061626520.56903771360.60639727d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
6Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4688806240.047195990.4845605792040.535426885927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
7Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.3110341730.03638062250.5680851342670.59931470bfc9541-70d5-4d50-89c4-351a87971133dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
7Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.31228510.03449141230.5866666443080.601782828f50103-c931-4a74-b5d2-1a77ac420ea568513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
7Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.33344420.0517519750.57429721430.6182019d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
7Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.35965410.03590380.62007173460.62689598bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
7Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.3767519590.049704170.4032786791230.49990373811e07008-ff9d-4d76-9b09-590beaa90f222b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
7Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.4054171440.05073536190.48888891540.5676107ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
7Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.41871650.05686239530.67953671760.70035034427d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
7Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4323108490.04499861230.50585482160.55353856185927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
8no results
9Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1286203710.067178830.8596491490.80227905562f9b835-3d55-4a27-81a1-0dab814aceb068513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
9Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2031939920.089265850.843137264430.7892251615cf7c784-d01f-4163-ac19-ef2429eb410bdd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
10Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1459743380.0722036660.839285731470.77402073162f9b835-3d55-4a27-81a1-0dab814aceb068513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
10Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2318921090.096310360.82410.75877275cf7c784-d01f-4163-ac19-ef2429eb410bdd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
11no results
13Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1690097150.03884604570.55357141240.5776450638d439b60-424f-46f7-b996-c0c2114f797e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
13Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.1732542810.02973130160.45153061770.51505581f3b3037-bb9d-45fa-9a9c-70cc299da470dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
13Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.1983747330.041443090.463203461070.5265545d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
13Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.21397740.02791982890.59744993280.60599478bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
13Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.2955770490.038588250.460957171830.5219953754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
13Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.2983718220.048954680.6265060311560.655060327d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
13Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.30046050.0452871360.375426621100.479125ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
13Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.3031677310.037950320.4845605792040.535426885927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
14no results
15no results
16no results
17no results
18Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.2099038360.06015838310.8103448940.783262817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
18Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.2403078230.04750170.859154941830.79038392b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
18Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2669671480.06220200290.8478260641170.8138986e056b61-4da9-46e3-970b-680a22e4afd0dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
18Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.2682329710.06257643550.8467153311160.813089132833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
18Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.2800219360.066406280.82677171050.79485595227d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
18Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.2897059320.0636540.8671328431240.835505962d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
18Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.4522854690.080096170.88652481250.86068966754fc3e-ad28-4576-b723-60aa4fa0790b87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
18Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.47364930.05967640.89473682380.82787284c89b294-311e-4e11-8af3-8e80b969109f2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
19Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1897246840.02680772360.60416673190.615347728f50103-c931-4a74-b5d2-1a77ac420ea568513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
19Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.1953343150.0315288380.4681933821840.52691751f3b3037-bb9d-45fa-9a9c-70cc299da470dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
19Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.2053427250.04216466470.48484851120.546345532d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
19Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.2214291840.028324540.6141304373390.619016238bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
19Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.2930662330.048517480.6465863591610.673526127d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
19Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.2943129840.03850564730.4735516311880.530448139754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
19Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.29774910.037476350.50707552150.552399685927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
19Allantoin (5TMS) [A188009-ambient-na-6]Allantoin (5TMS)1896.998291.0017090.3039589820.048922160.60629921540.6474817063fa226-ed62-4d9f-9d5c-ee52c0974e55a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
20no results
21no results
22no results
23Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.317873120.03409166630.8921389584880.81949868bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
23Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.401710.075218930.82394371170.8287425817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
23Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.40682630.04935671760.8323353532780.77412767e14465a-7065-490c-9e50-e625c1c14f4d87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
23Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4123083350.04457609360.85783133560.78927016385927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
23Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4123123290.0731758550.779220761200.78120116e056b61-4da9-46e3-970b-680a22e4afd0dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
23Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.4133127330.07374500480.76973681170.7728186833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
23Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4241541330.076487920.77241381120.778565927d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
23Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.431311220.072971430.8209876421330.819381952d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
23Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.4376276430.04951460.83473392980.7703705c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
24Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.2322880770.04163523760.50746271360.5617198ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
24Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2352543770.031809540.7161293330.69769160bfc9541-70d5-4d50-89c4-351a87971133dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
24Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.2399756460.05192644520.6067415481080.652315148d439b60-424f-46f7-b996-c0c2114f797e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
24Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.26221030.05212681740.554404141070.6185626d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
24Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.27004260.044236080.5108695631410.56099194311e07008-ff9d-4d76-9b09-590beaa90f222b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
24Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.2869827450.032304390.73818184060.7015551338bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
24Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.31813540.05962034690.7988826631430.7999556c360eba-d726-44d9-a666-d0695d8448cf441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
24Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.351639450.04096913340.65871122760.64887106485927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
25no results
26Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.194495440.038027130.5836431381570.614511251ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
26Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.32170050.04061706740.68717952680.6706064341f3b3037-bb9d-45fa-9a9c-70cc299da470dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
26Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-34]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.3442809580.04308087750.67924532520.66871148dee81a1-8d98-4a73-b55d-9de42f10e19068513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
26Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.3958849310.067847720.4883721840.5683281d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
26Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.4273200330.046812230.67692312640.659248754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
26Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.4276792410.060719770.53017241230.58298082b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
26Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4656030540.071140030.65760871210.6996710327d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
26Allantoin (5TMS) [A188009-ambient-na-3]Allantoin (5TMS)1896.998291.0017090.4656663840.06643718480.5924170611250.6444199688216bdb2-7a7d-440c-95eb-7e63f8e8c502a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
27no results
28no results
29Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-13]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.099310510.036758170.87074831280.8381786353077498f-10ce-4b5c-ba6a-9b6f439e824868513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
29Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4216770.063221340.8909952641880.840236139e48209-b3a4-41cf-b83d-78d92a054d12dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
30Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.26121750.059615260.8775511290.872495834a5b91e-e473-4ed6-9a40-067e0cd944f968513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
30Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.3084472720.03694334630.89601774050.8267318610bfc9541-70d5-4d50-89c4-351a87971133dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
30Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.310292870.076878740.8857143930.89000696c360eba-d726-44d9-a666-d0695d8448cf441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
30Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.3286309840.06490930.83974361310.8301488d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
30Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.37610820.05756499250.8458151920.8108055592b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
30Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.38842040.046647880.86274513080.7934234c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
30Allantoin (5TMS) [A188009-ambient-na-4]Allantoin (5TMS)1896.998291.0017090.39372760.05303149670.852380.7980373d943c34e-3a28-43a2-9cbc-a05ab6a7a506a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
30Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.4128312770.046130210.8737113483390.8028878754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
31no results
32Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.2850830260.04682890330.89230772320.838121355ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
33no results
34no results
35no results
36no results
37no results
38no results
39no results
40Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2779115740.062563950.7323943381040.7290448556e056b61-4da9-46e3-970b-680a22e4afd0dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
40Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.2784829440.062628230.73943661050.736245036833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
40Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.2804409270.06219445540.7379311070.732707858d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
40Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.28745460.06454462560.7681159381060.767617727d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
40Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.28958490.066746930.776923061010.7805435817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
40Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.29773260.03783393650.87980773660.81013256385927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
40Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.2978660170.05227538570.7889908551720.74742912b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
40Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.31138920.04006368670.86855673370.798404754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
40Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.32663520.0427772030.8571428663060.7886923c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
41Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.2741062640.06596130.8809523581110.849386234a5b91e-e473-4ed6-9a40-067e0cd944f968513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
41Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--4]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.37954220.06405590470.89729731660.846152842aa553c8b-f188-48eb-ae82-5d7769781ff3dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
41Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.3887838720.099843970.8076923630.79761936c360eba-d726-44d9-a666-d0695d8448cf441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
41Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4119712710.077551140.85401461170.807369d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
42no results
43no results
44Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--1]Hexadecenoic acid methyl ester, 9-(Z)-, n-1897.678590.3214111330.4967920180.05643194540.80769232520.75313521ac5af55-f8bc-49fd-9808-23a0722c028875683e89-302c-4280-a15e-e1187cd75ceb75683e89-302c-4280-a15e-e1187cd75ceb
45Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.2400363090.06547031550.8660714970.817842841817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
45Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2956408560.066427030.89552241200.8468854436e056b61-4da9-46e3-970b-680a22e4afd0dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
45Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.29608420.066726260.89473681190.8462343833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
45Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.309492350.070369580.8961120.852410427d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
45Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.3210153280.06845695530.89781021230.8487915d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
46no results
47no results
48no results
49Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.3393549620.067949060.7891156671160.793746627d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
49Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.35193120.04811794680.8585526352610.81861318bbd7202-8794-4486-8b16-61d8dff4c5bd87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
49Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-1]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.3597536390.0405767150.87414193820.809872568e62d396e-0d3a-4414-88f0-021d5142f09b68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
49Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.3608620460.041602320.86330933600.79732685927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
49Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.3696859780.05976491420.8454106451750.8303501c1226b8e-944e-4d32-ae01-8a9d12465d34dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
49Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.3734050390.05521054570.88979592180.8712917572b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
49Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.3819979730.046067460.8444444543040.7836719c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
49Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.414161980.04579325770.868354443430.810132265754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
49Allantoin (5TMS) [A188009-ambient-na-4]Allantoin (5TMS)1896.998291.0017090.4560072720.05513663220.89333332680.8647887d943c34e-3a28-43a2-9cbc-a05ab6a7a506a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
50no results
51Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.1238991540.043828280.89147291150.85908764627d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
51Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.3352275490.07100011410.8646616341150.8209533696754fc3e-ad28-4576-b723-60aa4fa0790b87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
52no results
53no results
54no results
55no results
56no results
57Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.30866050.04720800370.80505412230.7846002ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
57Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.4320558310.07236740.82424241360.833741634a5b91e-e473-4ed6-9a40-067e0cd944f968513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
57Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4407572150.05561504510.82456142350.80427149c570b75-fe0c-43b8-9311-7b8af17dd55bdd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
57Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.4823679630.05757815390.8247422582400.80286806811e07008-ff9d-4d76-9b09-590beaa90f222b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
57Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4945940380.074131560.83333331500.839251935d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
58no results
59no results
60Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.173183680.062737490.852272749750.85049493468acbd-3fed-489b-b93d-b3c9beab9f8268513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
60Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.1758430750.06432328370.8235294700.82367486c360eba-d726-44d9-a666-d0695d8448cf441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
60Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.1854371130.050926670.8531468511220.8227301d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
60Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.1858931780.04482918610.8540540341580.802647948c1226b8e-944e-4d32-ae01-8a9d12465d34dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
60Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.24671150.06233153490.89763781140.88253355817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
60Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.29505380.045109350.89655172600.82915628bbd7202-8794-4486-8b16-61d8dff4c5bd87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
60Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.3659094270.0522557870.89552242400.8338849544c89b294-311e-4e11-8af3-8e80b969109f2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
61no results
62no results
63no results
64no results
65no results
66no results
67no results
68no results
69no results
70no results
71no results
72no results
73no results
74no results
75no results
76Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--3]Hexadecenoic acid methyl ester, 9-(Z)-, n-1897.678590.3214111330.48417070.0708330.8341968661610.7876485592e42e393-8070-47b8-a933-d3c41043d78575683e89-302c-4280-a15e-e1187cd75ceb75683e89-302c-4280-a15e-e1187cd75ceb
77Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.28440560.079944580.8876405790.8832933468acbd-3fed-489b-b93d-b3c9beab9f8268513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
78no results
79no results
80no results
81no results
82no results
83no results
84no results
85no results
86no results
87no results
88no results
89no results
90no results
91no results
92no results
93no results
94no results
95no results
96Nonadecane [A190001-ambient-n--1]Nonadecane190020.086780860.05089670420.477611929320.554227744b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
97no results
98no results
99no results
100no results
101no results
102no results
103no results
104no results
105no results
106Nonadecane [A190001-ambient-n--1]Nonadecane190020.084449130.05020826680.477611929320.554227744b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
107Nonadecane [A190001-ambient-n--1]Nonadecane190020.094471430.05232879520.5072464350.578345744b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
108no results
109no results
110no results
111no results
112Nonadecane [A190001-ambient-n--1]Nonadecane190020.09408916530.05299653490.522388041350.586334544b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
113no results
114no results
115no results
116no results
117no results
118no results
119no results
120Nonadecane [A190001-ambient-n--1]Nonadecane190020.0920784250.052822880.545454562360.600814944b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
121no results
122no results
123no results
124Nonadecane [A190001-ambient-n--1]Nonadecane190020.074816060.050360090.5423729320.574461744b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
125no results
126Nonadecane [A190001-ambient-n--1]Nonadecane190020.094352910.053070760.5671642380.618287344b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
127no results
128no results
129no results
130no results
131no results
132no results
133no results
134no results
135no results
136Nonadecane [A190001-ambient-n--1]Nonadecane190020.075811740.0502698570.6360.61803603244b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
137no results
138no results
139no results
140no results
141no results
142Nonadecane [A190001-ambient-n--1]Nonadecane190020.07599082590.05075393620.6101695360.619302344b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
143no results
144no results
145no results
146no results
147no results
148no results
149Nonadecane [A190001-ambient-n--1]Nonadecane190020.062806070.04653737690.827586234480.764704244b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
150no results
151no results
152no results
153no results
154no results
155no results
156no results
157no results
158no results
159no results
160no results
161no results
162no results
163no results
164no results
165no results
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169Nonadecane [A190001-ambient-n--1]Nonadecane190020.1106669310.06073630.9540.849386244b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
170no results
171Nonadecane [A190001-ambient-n--1]Nonadecane190020.1269680260.066168030.8965517520.823629944b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
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215Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1117259410.043332970.689075649820.72035563d87f501a-9d45-4244-9461-f8dd1943930e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
215Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--3]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.1215400770.03737662360.64367821120.6784224515a6e8d9a-926f-4589-a67c-46ff9b93f7cadd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
215Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.124735020.039242050.62345681010.6659031d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
215Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.17160960.03897010540.6548672321480.6631343362b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
215Allantoin (5TMS) [A188009-ambient-na-6]Allantoin (5TMS)1896.998291.0017090.2018275260.047620640.72471911290.7480244063fa226-ed62-4d9f-9d5c-ee52c0974e55a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
215Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.2034101340.04935635630.7425149681240.7660200627d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
215Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.219328180.03231748570.79523813340.746631685927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
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226Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1867317110.040208520.59740261380.61669828d439b60-424f-46f7-b996-c0c2114f797e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
226Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2321664540.04162433740.40671641090.50451064139e48209-b3a4-41cf-b83d-78d92a054d12dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
226Idose (1MEOX) (5TMS) BP [A191005-ambient-na-2]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.25557950.045127490.334661365840.446271449c1f0e928-1960-4643-b93b-81a20351ccd9ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
226Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.296492040.03283523770.63300.6083525428bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
226Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.3631723520.04928738620.4080267551220.504798055ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
226Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.4009535310.052951590.2972028850.41424268511e07008-ff9d-4d76-9b09-590beaa90f222b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
226Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4532711210.06210979450.76170211790.7384044536c360eba-d726-44d9-a666-d0695d8448cf441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
226Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4838255350.05079766740.4613333341730.53014361b34c722-1fd3-4d61-a48b-da2614f96e23d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
227no results
228Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.492368430.04235200210.59744993280.60599478bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
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231Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1911391910.07092234490.8947368680.878837764d87f501a-9d45-4244-9461-f8dd1943930e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
231Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.1936002080.05588009210.8870967631100.839983927d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
231Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--10]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2169099750.061419440.88695651020.845184863314b38dc-9bfb-4a7f-aaaa-bd80ef4ec82ddd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
231Allantoin (5TMS) [A188009-ambient-na-2]Allantoin (5TMS)1896.998291.0017090.2429431080.088526130.887096763550.8791416bb9eafcc-28ff-4a63-8786-2e5e1053b337a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
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248Nonadecane [A190001-ambient-n--1]Nonadecane190020.059448540.045276390.7586207440.713229544b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
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What can the table do ?

  • filter_list By default, the spectra numbers (N° Spectra) are ordered by ascending values. You can manage your data ordering as you wish. You can even order data according to multiple columns: SHIFT + LEFT CLICK on column headers. This will order by the first column clicked, then the second, etc. You can sort data specifically by clicking on any entry in boxes under each columns.
  • delete_sweep You can delete multiple entries that are selected: Select wanted entries and click on the button DELETE SELECTED ROWS.
  • remove_red_eye You have the possibility to toggle columns by clicking on SHOW MORE.
  • save You can print, copy, or export to excel and csv the table on its actual state, with the three buttons right above the table.

Distances scores

S12Gower-Legendre Distance The distance measure S12GowLeg = sqrt(1 - s12) is derived from the S12 coefficient of Gower & Legendre defined as s12 = a / sqrt((a + b)(a + c)), with "a" representing the number of positions at which both spectra are in "on-state" and "b" respectively "c" representing the number of positions at which only the query spectrum or the hit spectrum are in "on-state".
Hamming Distance In information theory, the Hamming distance between two strings of equal length is the number of positions for which the corresponding symbols are different. Put another way, it measures the minimum number of substitutions required to change one into the other, or the number of errors that transformed one string into the other.
Jaccard DistanceNumber of matches (a mass with appropriate intensity in both spectra) divided by the sum of matches and mismatches (a mass where only one of both spectra has a intensity). The jaccard distance is a binary distance.
Dotproduct DistanceThe Dotproduct distance is summing the multiplied intensities over all matching peaks within both spectra. Here, to satisfy the conditions of a metric I) non-negativity, II) identity of indiscernibles, III) symmetry and IV) subadditivity / triangle inequality, we use 1-Dotproduct. Both spectra are normalised prior to the spectral vector norm in that way, that the absolute value of the squared intensities is equal to 1.
Euclidean DistanceThe Euclid is the square root of the sum of the squared differences over all matching peaks.


+Golm Search Results

Visualization of Golm Database Results

NAMESRETENTION INFOSDISTANCE SCORESIDs
N° SpectresSpectrumAnalyteRetention IndexRI DiscrepancyDot productEuclideanJaccardHammings12 Gower-LegendreSpectrum idMetabolite idAnalyte id
N° SpectreSpectrumAnalyteRetention IndexRI DiscrepancyDot productEuclideanJaccardHammings12 Gower-LegendreSpectrum idMetabolite idAnalyte id
1Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4171260.0474840.6108112260.6284401b34c722-1fd3-4d61-a48b-da2614f96e23d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
2Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.4496570.0733830.7784431300.79610934a5b91e-e473-4ed6-9a40-067e0cd944f968513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
2Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4884420.0594930.7500002070.7356509c570b75-fe0c-43b8-9311-7b8af17dd55bdd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
3Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.3863550.0406770.8201293830.7784510bfc9541-70d5-4d50-89c4-351a87971133dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
3Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.3971790.0675670.7528741310.77636134a5b91e-e473-4ed6-9a40-067e0cd944f968513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
3Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4321960.0713070.6294121070.674075d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
3Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4425190.0502860.7600002660.7361840d5164ce-be48-454d-979b-ed8b92e32c1d441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
3Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.4442370.0498870.7170872560.684181c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
3Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-1]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.4479850.0491430.7304582710.6947707508f46a-70b0-43eb-b5b6-0421ff41c0e887e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
3Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.4521640.0632570.6106191380.6324762b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
3Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.4744850.0493910.7429312890.703453754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
4Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.4025460.0579180.4458331070.5287282b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
4Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4033590.0413860.7048833320.6942460bfc9541-70d5-4d50-89c4-351a87971133dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
4Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.4106970.0640860.5600001120.620549833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
4Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4170420.0481340.6305562270.6510030d5164ce-be48-454d-979b-ed8b92e32c1d441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
4Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.4181630.0484010.5518211970.574924c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
4Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4213550.0633470.6095241280.660118d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
4Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4231690.0451050.6177882570.61883885927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
4Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.4458230.0513610.5473371850.5789307e14465a-7065-490c-9e50-e625c1c14f4d87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
5Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.3547640.0692390.655405970.6981258d439b60-424f-46f7-b996-c0c2114f797e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
5Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.4022860.0382820.8251374530.7650928bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
5Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4119390.0459030.7672633000.7286311f3b3037-bb9d-45fa-9a9c-70cc299da470dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
5Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4119390.0815120.661290820.6967816c360eba-d726-44d9-a666-d0695d8448cf441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
5Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4249590.0713400.6227541040.667898d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
5Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.4849400.0521220.7254902590.689973c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
5Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4885650.0484650.7668273190.72042585927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
6Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.3155860.0526150.5789471320.6002728d439b60-424f-46f7-b996-c0c2114f797e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
6Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--1]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.3191620.0516800.5564851330.597789c3592e5c-0d20-406b-ac62-32bd60255cafdd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
6Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.3567750.0555780.4632031070.526555d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
6Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.3750960.0369320.6000003300.6083538bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
6Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.3865600.0519920.297203850.41424311e07008-ff9d-4d76-9b09-590beaa90f222b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
6Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.3894540.0513850.3864411140.487833ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
6Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4538400.0616270.5690381360.60639727d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
6Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4688810.0471960.4845612040.53542785927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
7Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.3110340.0363810.5680852670.5993150bfc9541-70d5-4d50-89c4-351a87971133dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
7Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.3122850.0344910.5866673080.60178328f50103-c931-4a74-b5d2-1a77ac420ea568513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
7Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.3334440.0517520.5742971430.618202d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
7Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.3596540.0359040.6200723460.6268968bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
7Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.3767520.0497040.4032791230.49990411e07008-ff9d-4d76-9b09-590beaa90f222b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
7Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.4054170.0507350.4888891540.567611ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
7Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4187160.0568620.6795371760.70035027d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
7Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4323110.0449990.5058552160.55353985927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
8no results
9Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1286200.0671790.859649490.80227962f9b835-3d55-4a27-81a1-0dab814aceb068513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
9Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2031940.0892660.843137430.7892255cf7c784-d01f-4163-ac19-ef2429eb410bdd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
10Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1459740.0722040.839286470.77402162f9b835-3d55-4a27-81a1-0dab814aceb068513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
10Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2318920.0963100.820000410.7587735cf7c784-d01f-4163-ac19-ef2429eb410bdd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
11no results
13Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1690100.0388460.5535711240.5776458d439b60-424f-46f7-b996-c0c2114f797e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
13Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.1732540.0297310.4515311770.5150561f3b3037-bb9d-45fa-9a9c-70cc299da470dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
13Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.1983750.0414430.4632031070.526555d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
13Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.2139770.0279200.5974503280.6059958bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
13Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.2955770.0385880.4609571830.521995754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
13Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.2983720.0489550.6265061560.65506027d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
13Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.3004610.0452870.3754271100.479125ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
13Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.3031680.0379500.4845612040.53542785927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
14no results
15no results
16no results
17no results
18Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.2099040.0601580.810345940.783262817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
18Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.2403080.0475020.8591551830.7903842b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
18Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2669670.0622020.8478261170.8138986e056b61-4da9-46e3-970b-680a22e4afd0dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
18Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.2682330.0625760.8467151160.813089833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
18Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.2800220.0664060.8267721050.79485627d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
18Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.2897060.0636540.8671331240.835506d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
18Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.4522850.0800960.8865251250.8606906754fc3e-ad28-4576-b723-60aa4fa0790b87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
18Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.4736490.0596760.8947372380.8278734c89b294-311e-4e11-8af3-8e80b969109f2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
19Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1897250.0268080.6041673190.61534828f50103-c931-4a74-b5d2-1a77ac420ea568513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
19Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.1953340.0315290.4681931840.5269181f3b3037-bb9d-45fa-9a9c-70cc299da470dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
19Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.2053430.0421650.4848491120.546346d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
19Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.2214290.0283250.6141303390.6190168bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
19Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.2930660.0485170.6465861610.67352627d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
19Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.2943130.0385060.4735521880.530448754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
19Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.2977490.0374760.5070762150.55240085927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
19Allantoin (5TMS) [A188009-ambient-na-6]Allantoin (5TMS)1896.998291.0017090.3039590.0489220.6062991540.647482063fa226-ed62-4d9f-9d5c-ee52c0974e55a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
20no results
21no results
22no results
23Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.3178730.0340920.8921394880.8194998bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
23Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.4017100.0752190.8239441170.828743817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
23Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.4068260.0493570.8323352780.7741287e14465a-7065-490c-9e50-e625c1c14f4d87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
23Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4123080.0445760.8578313560.78927085927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
23Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4123120.0731760.7792211200.7812016e056b61-4da9-46e3-970b-680a22e4afd0dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
23Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.4133130.0737450.7697371170.772819833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
23Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4241540.0764880.7724141120.77856627d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
23Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4313110.0729710.8209881330.819382d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
23Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.4376280.0495150.8347342980.770370c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
24Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.2322880.0416350.5074631360.561720ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
24Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2352540.0318100.7161293330.6976920bfc9541-70d5-4d50-89c4-351a87971133dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
24Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.2399760.0519260.6067421080.6523158d439b60-424f-46f7-b996-c0c2114f797e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
24Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.2622100.0521270.5544041070.618563d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
24Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.2700430.0442360.5108701410.56099211e07008-ff9d-4d76-9b09-590beaa90f222b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
24Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.2869830.0323040.7381824060.7015558bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
24Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.3181350.0596200.7988831430.7999556c360eba-d726-44d9-a666-d0695d8448cf441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
24Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.3516390.0409690.6587112760.64887185927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
25no results
26Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.1944950.0380270.5836431570.614511ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
26Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.3217010.0406170.6871802680.6706061f3b3037-bb9d-45fa-9a9c-70cc299da470dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
26Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-34]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.3442810.0430810.6792452520.6687118dee81a1-8d98-4a73-b55d-9de42f10e19068513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
26Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.3958850.0678480.488372840.568328d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
26Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.4273200.0468120.6769232640.659248754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
26Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.4276790.0607200.5301721230.5829812b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
26Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4656030.0711400.6576091210.69967127d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
26Allantoin (5TMS) [A188009-ambient-na-3]Allantoin (5TMS)1896.998291.0017090.4656660.0664370.5924171250.6444208216bdb2-7a7d-440c-95eb-7e63f8e8c502a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
27no results
28no results
29Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-13]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.0993110.0367580.8707481280.8381793077498f-10ce-4b5c-ba6a-9b6f439e824868513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
29Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4216770.0632210.8909951880.84023639e48209-b3a4-41cf-b83d-78d92a054d12dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
30Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.2612170.0596150.8775511290.87249634a5b91e-e473-4ed6-9a40-067e0cd944f968513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
30Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.3084470.0369430.8960184050.8267320bfc9541-70d5-4d50-89c4-351a87971133dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
30Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.3102930.0768790.885714930.8900076c360eba-d726-44d9-a666-d0695d8448cf441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
30Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.3286310.0649090.8397441310.830149d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
30Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.3761080.0575650.8458151920.8108062b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
30Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.3884200.0466480.8627453080.793423c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
30Allantoin (5TMS) [A188009-ambient-na-4]Allantoin (5TMS)1896.998291.0017090.3937280.0530310.8500002380.798037d943c34e-3a28-43a2-9cbc-a05ab6a7a506a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
30Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.4128310.0461300.8737113390.802888754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
31no results
32Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.2850830.0468290.8923082320.838121ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
33no results
34no results
35no results
36no results
37no results
38no results
39no results
40Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2779120.0625640.7323941040.7290456e056b61-4da9-46e3-970b-680a22e4afd0dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
40Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.2784830.0626280.7394371050.736245833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
40Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.2804410.0621940.7379311070.732708d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
40Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.2874550.0645450.7681161060.76761827d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
40Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.2895850.0667470.7769231010.780543817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
40Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.2977330.0378340.8798083660.81013385927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
40Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.2978660.0522750.7889911720.7474292b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
40Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.3113890.0400640.8685573370.798404754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
40Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.3266350.0427770.8571433060.788692c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
41Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.2741060.0659610.8809521110.84938634a5b91e-e473-4ed6-9a40-067e0cd944f968513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
41Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--4]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.3795420.0640560.8972971660.846153aa553c8b-f188-48eb-ae82-5d7769781ff3dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
41Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.3887840.0998440.807692630.7976196c360eba-d726-44d9-a666-d0695d8448cf441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
41Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4119710.0775510.8540151170.807369d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
42no results
43no results
44Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--1]Hexadecenoic acid methyl ester, 9-(Z)-, n-1897.678590.3214111330.4967920.0564320.8076922520.7531351ac5af55-f8bc-49fd-9808-23a0722c028875683e89-302c-4280-a15e-e1187cd75ceb75683e89-302c-4280-a15e-e1187cd75ceb
45Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.2400360.0654700.866071970.817843817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
45Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2956410.0664270.8955221200.8468856e056b61-4da9-46e3-970b-680a22e4afd0dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
45Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.2960840.0667260.8947371190.846234833ab58c-a8fa-4389-8b42-95e618cafb9168513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
45Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.3094920.0703700.8960001120.85241027d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
45Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.3210150.0684570.8978101230.848792d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
46no results
47no results
48no results
49Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.3393550.0679490.7891161160.79374727d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
49Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.3519310.0481180.8585532610.8186138bbd7202-8794-4486-8b16-61d8dff4c5bd87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
49Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-1]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.3597540.0405770.8741423820.809873e62d396e-0d3a-4414-88f0-021d5142f09b68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
49Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.3608620.0416020.8633093600.79732685927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
49Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.3696860.0597650.8454111750.830350c1226b8e-944e-4d32-ae01-8a9d12465d34dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
49Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.3734050.0552110.8897962180.8712922b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
49Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)1897.838620.1613832860.3819980.0460670.8444443040.783672c1d0193b-0442-41fe-aab0-fc2438624170151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff471f9ab0-1cf5-40d3-ba88-edc2458d3242
49Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.4141620.0457930.8683543430.810132754097ce-c7df-40cb-bec1-ba8b0fad83f82b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
49Allantoin (5TMS) [A188009-ambient-na-4]Allantoin (5TMS)1896.998291.0017090.4560070.0551370.8933332680.864789d943c34e-3a28-43a2-9cbc-a05ab6a7a506a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
50no results
51Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.1238990.0438280.8914731150.85908827d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
51Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.3352280.0710000.8646621150.8209536754fc3e-ad28-4576-b723-60aa4fa0790b87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
52no results
53no results
54no results
55no results
56no results
57Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.3086610.0472080.8050542230.784600ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
57Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.4320560.0723670.8242421360.83374234a5b91e-e473-4ed6-9a40-067e0cd944f968513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
57Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.4407570.0556150.8245612350.8042719c570b75-fe0c-43b8-9311-7b8af17dd55bdd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
57Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.4823680.0575780.8247422400.80286811e07008-ff9d-4d76-9b09-590beaa90f222b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
57Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.4945940.0741320.8333331500.839252d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
58no results
59no results
60Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1731840.0627370.852273750.8504953468acbd-3fed-489b-b93d-b3c9beab9f8268513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
60Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.1758430.0643230.823529700.8236756c360eba-d726-44d9-a666-d0695d8448cf441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
60Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.1854370.0509270.8531471220.822730d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
60Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.1858930.0448290.8540541580.802648c1226b8e-944e-4d32-ae01-8a9d12465d34dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
60Allantoin (5TMS) [A188009-ambient-na-5]Allantoin (5TMS)1896.998291.0017090.2467120.0623320.8976381140.882534817f2a03-9df5-46e3-973c-b2a9675109cfa999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
60Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP1902.774174.774170.2950540.0451090.8965522600.8291568bbd7202-8794-4486-8b16-61d8dff4c5bd87e988c4-f26c-4e03-9a40-1b0c0b36ca67163bf790-e995-46a9-8059-446172ddca0f
60Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.3659090.0522560.8955222400.8338854c89b294-311e-4e11-8af3-8e80b969109f2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
61no results
62no results
63no results
64no results
65no results
66no results
67no results
68no results
69no results
70no results
71no results
72no results
73no results
74no results
75no results
76Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--3]Hexadecenoic acid methyl ester, 9-(Z)-, n-1897.678590.3214111330.4841710.0708330.8341971610.7876492e42e393-8070-47b8-a933-d3c41043d78575683e89-302c-4280-a15e-e1187cd75ceb75683e89-302c-4280-a15e-e1187cd75ceb
77Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.2844060.0799450.887641790.8832933468acbd-3fed-489b-b93d-b3c9beab9f8268513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
78no results
79no results
80no results
81no results
82no results
83no results
84no results
85no results
86no results
87no results
88no results
89no results
90no results
91no results
92no results
93no results
94no results
95no results
96Nonadecane [A190001-ambient-n--1]Nonadecane190020.0867810.0508970.477612320.55422844b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
97no results
98no results
99no results
100no results
101no results
102no results
103no results
104no results
105no results
106Nonadecane [A190001-ambient-n--1]Nonadecane190020.0844490.0502080.477612320.55422844b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
107Nonadecane [A190001-ambient-n--1]Nonadecane190020.0944710.0523290.507246350.57834644b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
108no results
109no results
110no results
111no results
112Nonadecane [A190001-ambient-n--1]Nonadecane190020.0940890.0529970.522388350.58633444b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
113no results
114no results
115no results
116no results
117no results
118no results
119no results
120Nonadecane [A190001-ambient-n--1]Nonadecane190020.0920780.0528230.545455360.60081544b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
121no results
122no results
123no results
124Nonadecane [A190001-ambient-n--1]Nonadecane190020.0748160.0503600.542373320.57446244b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
125no results
126Nonadecane [A190001-ambient-n--1]Nonadecane190020.0943530.0530710.567164380.61828744b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
127no results
128no results
129no results
130no results
131no results
132no results
133no results
134no results
135no results
136Nonadecane [A190001-ambient-n--1]Nonadecane190020.0758120.0502700.600000360.61803644b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
137no results
138no results
139no results
140no results
141no results
142Nonadecane [A190001-ambient-n--1]Nonadecane190020.0759910.0507540.610170360.61930244b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
143no results
144no results
145no results
146no results
147no results
148no results
149Nonadecane [A190001-ambient-n--1]Nonadecane190020.0628060.0465370.827586480.76470444b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
150no results
151no results
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157no results
158no results
159no results
160no results
161no results
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167no results
168no results
169Nonadecane [A190001-ambient-n--1]Nonadecane190020.1106670.0607360.900000540.84938644b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
170no results
171Nonadecane [A190001-ambient-n--1]Nonadecane190020.1269680.0661680.896552520.82363044b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
172no results
173no results
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209no results
210no results
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213no results
214no results
215Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1117260.0433330.689076820.720356d87f501a-9d45-4244-9461-f8dd1943930e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
215Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--3]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.1215400.0373770.6436781120.6784225a6e8d9a-926f-4589-a67c-46ff9b93f7cadd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
215Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.1247350.0392420.6234571010.665903d00de57d-6fab-49d0-9aee-25e259da9180ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
215Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.1716100.0389700.6548671480.6631342b364030-9fa7-4066-b685-52d7946110a600ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
215Allantoin (5TMS) [A188009-ambient-na-6]Allantoin (5TMS)1896.998291.0017090.2018280.0476210.7247191290.748024063fa226-ed62-4d9f-9d5c-ee52c0974e55a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
215Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.2034100.0493560.7425151240.76602027d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
215Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.2193280.0323170.7952383340.74663285927200-53a4-492a-ad57-0a7b1d8a6e85d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
216no results
217no results
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221no results
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223no results
224no results
225no results
226Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1867320.0402090.5974031380.6166988d439b60-424f-46f7-b996-c0c2114f797e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
226Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2321660.0416240.4067161090.50451139e48209-b3a4-41cf-b83d-78d92a054d12dd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
226Idose (1MEOX) (5TMS) BP [A191005-ambient-na-2]Idose (1MEOX) (5TMS) BP1897.254390.7456054690.2555800.0451270.334661840.446271c1f0e928-1960-4643-b93b-81a20351ccd9ab025068-f464-4bc6-9c92-994c29387db26f4e926f-d7ef-47b6-a52c-91ff88ca567a
226Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.2964920.0328350.6000003300.6083538bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
226Galactose_3_5TMS [A190022-ambient-na-1]Galactose_3_5TMS1896.31141.688581710.3631720.0492870.4080271220.504798ef78eeb1-ec7f-453d-90bd-cd1bf3b04153f01236e3-4d1e-493a-bd99-3aca2801f86e17441428-6e9c-4caf-84d5-561b494df795
226Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]Glucose, 2-amino-2-deoxy- (5TMS) MP1899.4951.494949460.4009540.0529520.297203850.41424311e07008-ff9d-4d76-9b09-590beaa90f222b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6539fe164-0ea9-4509-bf37-fc9bc8073646
226Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.4532710.0621100.7617021790.7384046c360eba-d726-44d9-a666-d0695d8448cf441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
226Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]Erythrose-4-phosphate (1MEOX) (4TMS) MP1895.984382.015580650.4838260.0507980.4613331730.5301441b34c722-1fd3-4d61-a48b-da2614f96e23d4f07f67-d45b-43b6-bd4c-d08708d1a7ad2665f816-5c52-45ed-901e-4481cf048257
227no results
228Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP1893.443854.556195740.4923680.0423520.5974503280.6059958bf796f1-f7cf-4df5-afbc-979b0d95a38300ce759f-d1f9-492e-89f7-b7400a34c72dda9d76f5-a2af-4fd1-89e1-c8426ad16980
229no results
230no results
231Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]Glucose (1MEOX) (5TMS) BP1899.054931.0549530.1911390.0709220.894737680.878838d87f501a-9d45-4244-9461-f8dd1943930e68513255-fc44-4041-bc4b-4fd2fae7541d0a2b3536-2245-4c0e-bdbc-495766eeec67
231Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]Glucose, U-13C- (1MEOX) (5TMS) BP1901.633.630.1936000.0558800.8870971100.83998427d4dcdd-d351-4976-8ef9-76a0cc53f631441faccb-2631-4e7d-b6ca-99437265ccb896441b61-2891-4e81-93dc-d0fc0ad175d4
231Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--10]Galactose (1MEOX) (5TMS) BP1902.422124.4221190.2169100.0614190.8869571020.845185314b38dc-9bfb-4a7f-aaaa-bd80ef4ec82ddd3ea070-54a6-4ea7-b99b-a6e975fdd2041c3ad0aa-ee78-4542-93b3-aa9fdf07add1
231Allantoin (5TMS) [A188009-ambient-na-2]Allantoin (5TMS)1896.998291.0017090.2429430.0885260.887097550.879142bb9eafcc-28ff-4a63-8786-2e5e1053b337a999f0d6-0285-41d9-a6ba-b705987b663c65bb54d2-6bf7-4a53-aa22-8abf71240005
232no results
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247no results
248Nonadecane [A190001-ambient-n--1]Nonadecane190020.0594490.0452760.758621440.71322944b956d8-a487-4269-baee-49e6ba5658c35dff1f48-853a-4ce2-852c-81c871ef1da65dff1f48-853a-4ce2-852c-81c871ef1da6
249no results
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What can the table do ?

  • filter_list By default, the spectra numbers (N° Spectra) are ordered by ascending values. You can manage your data ordering as you wish. You can even order data according to multiple columns: SHIFT + LEFT CLICK on column headers. This will order by the first column clicked, then the second, etc. You can sort data specifically by clicking on any entry in boxes under each columns.
  • delete_sweep You can delete multiple entries that are selected: Select wanted entries and click on the button DELETE SELECTED ROWS.
  • remove_red_eye You have the possibility to toggle columns by clicking on SHOW MORE.
  • save You can print, copy, or export to excel and csv the table on its actual state, with the three buttons right above the table.

Distances scores

S12Gower-Legendre Distance The distance measure S12GowLeg = sqrt(1 - s12) is derived from the S12 coefficient of Gower & Legendre defined as s12 = a / sqrt((a + b)(a + c)), with "a" representing the number of positions at which both spectra are in "on-state" and "b" respectively "c" representing the number of positions at which only the query spectrum or the hit spectrum are in "on-state".
Hamming Distance In information theory, the Hamming distance between two strings of equal length is the number of positions for which the corresponding symbols are different. Put another way, it measures the minimum number of substitutions required to change one into the other, or the number of errors that transformed one string into the other.
Jaccard DistanceNumber of matches (a mass with appropriate intensity in both spectra) divided by the sum of matches and mismatches (a mass where only one of both spectra has a intensity). The jaccard distance is a binary distance.
Dotproduct DistanceThe Dotproduct distance is summing the multiplied intensities over all matching peaks within both spectra. Here, to satisfy the conditions of a metric I) non-negativity, II) identity of indiscernibles, III) symmetry and IV) subadditivity / triangle inequality, we use 1-Dotproduct. Both spectra are normalised prior to the spectral vector norm in that way, that the absolute value of the squared intensities is equal to 1.
Euclidean DistanceThe Euclid is the square root of the sum of the squared differences over all matching peaks.


\ No newline at end of file diff -r 4dc76dcbd1e7 -r 11779b6402bc test-data/output03.tabular --- a/test-data/output03.tabular Mon Dec 05 08:41:00 2016 -0500 +++ b/test-data/output03.tabular Wed Feb 22 07:37:36 2017 -0500 @@ -1,123 +1,123 @@ "Num Spectre" "Analyte Name" "Spectrum Name" "Retention Index" "RI Discrepancy" "DotproductDistance" "EuclideanDistance" "JaccardDistance" "HammingDistance" "s12GowerLegendreDistance" "Spectrum ID" "Metabolite ID" "Analyte ID" -"1" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]" "1895.98438" "2.01558065" "0.417125851" "0.047484044" "0.6108108" "226" "0.628439844" "1b34c722-1fd3-4d61-a48b-da2614f96e23" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" -"2" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]" "1899.05493" "1.054953" "0.4496568" "0.07338332" "0.7784431" "130" "0.796108663" "34a5b91e-e473-4ed6-9a40-067e0cd944f9" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"2" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]" "1902.42212" "4.422119" "0.4884424" "0.0594931729" "0.75" "207" "0.7356502" "9c570b75-fe0c-43b8-9311-7b8af17dd55b" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"3" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]" "1902.42212" "4.422119" "0.38635543" "0.0406771079" "0.8201285" "383" "0.7784506" "0bfc9541-70d5-4d50-89c4-351a87971133" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"3" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]" "1899.05493" "1.054953" "0.397179246" "0.06756685" "0.75287354" "131" "0.776361" "34a5b91e-e473-4ed6-9a40-067e0cd944f9" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"3" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.432195932" "0.07130679" "0.629411757" "107" "0.6740747" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"3" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]" "1901.63" "3.63" "0.442519277" "0.050286" "0.76" "266" "0.7361843" "0d5164ce-be48-454d-979b-ed8b92e32c1d" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"3" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.444237381" "0.04988712" "0.717086852" "256" "0.6841814" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" -"3" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-1]" "1902.77417" "4.77417" "0.4479848" "0.0491427779" "0.7304582" "271" "0.6947696" "7508f46a-70b0-43eb-b5b6-0421ff41c0e8" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" -"3" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.452163756" "0.06325701" "0.6106195" "138" "0.63247633" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"3" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.474485427" "0.0493914336" "0.7429306" "289" "0.7034532" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" -"4" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.40254572" "0.05791846" "0.445833325" "107" "0.528728" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"4" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]" "1902.42212" "4.422119" "0.403359115" "0.0413857177" "0.7048832" "332" "0.694246054" "0bfc9541-70d5-4d50-89c4-351a87971133" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"4" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.410697162" "0.06408566" "0.56" "112" "0.6205492" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"4" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]" "1901.63" "3.63" "0.4170415" "0.04813416" "0.63055557" "227" "0.651003" "0d5164ce-be48-454d-979b-ed8b92e32c1d" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"4" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.418162525" "0.0484009" "0.551820755" "197" "0.5749244" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" -"4" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.4213545" "0.06334745" "0.609523833" "128" "0.6601182" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"4" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.423168719" "0.0451050438" "0.617788434" "257" "0.6188379" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" -"4" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]" "1902.77417" "4.77417" "0.445822567" "0.0513614975" "0.5473373" "185" "0.578929663" "7e14465a-7065-490c-9e50-e625c1c14f4d" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" -"5" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]" "1899.05493" "1.054953" "0.354763538" "0.06923945" "0.6554054" "97" "0.6981253" "8d439b60-424f-46f7-b996-c0c2114f797e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"5" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.402286351" "0.0382821634" "0.8251366" "453" "0.7650924" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"5" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]" "1902.42212" "4.422119" "0.411938727" "0.0459032" "0.7672634" "300" "0.728630841" "1f3b3037-bb9d-45fa-9a9c-70cc299da470" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"5" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]" "1901.63" "3.63" "0.411938757" "0.0815118" "0.661290348" "82" "0.696781337" "6c360eba-d726-44d9-a666-d0695d8448cf" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"5" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.424958557" "0.0713395" "0.6227545" "104" "0.6678984" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"5" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.484940231" "0.0521224737" "0.7254902" "259" "0.6899733" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" -"5" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.488564819" "0.0484651364" "0.7668269" "319" "0.720424533" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" -"6" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]" "1899.05493" "1.054953" "0.315586" "0.05261462" "0.578947365" "132" "0.6002723" "8d439b60-424f-46f7-b996-c0c2114f797e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"6" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--1]" "1902.42212" "4.422119" "0.31916222" "0.0516799167" "0.556485355" "133" "0.5977888" "c3592e5c-0d20-406b-ac62-32bd60255caf" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"6" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.356775373" "0.05557845" "0.46320346" "107" "0.5265545" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"6" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.375095934" "0.03693217" "0.6" "330" "0.608352542" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"6" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]" "1899.495" "1.49494946" "0.386559725" "0.05199245" "0.2972028" "85" "0.414242685" "11e07008-ff9d-4d76-9b09-590beaa90f22" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" -"6" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.389454484" "0.0513845235" "0.386440665" "114" "0.4878328" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" -"6" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.453840375" "0.06162652" "0.5690377" "136" "0.606397" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"6" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.468880624" "0.04719599" "0.484560579" "204" "0.5354268" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" -"7" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]" "1902.42212" "4.422119" "0.311034173" "0.0363806225" "0.568085134" "267" "0.5993147" "0bfc9541-70d5-4d50-89c4-351a87971133" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"7" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]" "1899.05493" "1.054953" "0.3122851" "0.0344914123" "0.586666644" "308" "0.6017828" "28f50103-c931-4a74-b5d2-1a77ac420ea5" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"7" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.3334442" "0.051751975" "0.5742972" "143" "0.6182019" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"7" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.3596541" "0.0359038" "0.6200717" "346" "0.6268959" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"7" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]" "1899.495" "1.49494946" "0.376751959" "0.04970417" "0.403278679" "123" "0.499903738" "11e07008-ff9d-4d76-9b09-590beaa90f22" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" -"7" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.405417144" "0.0507353619" "0.4888889" "154" "0.5676107" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" -"7" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.4187165" "0.0568623953" "0.6795367" "176" "0.700350344" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"7" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.432310849" "0.0449986123" "0.5058548" "216" "0.553538561" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"1" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]" "1895.98438" "2.01558065" "0.417126" "0.047484" "0.610811" "226" "0.628440" "1b34c722-1fd3-4d61-a48b-da2614f96e23" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"2" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]" "1899.05493" "1.054953" "0.449657" "0.073383" "0.778443" "130" "0.796109" "34a5b91e-e473-4ed6-9a40-067e0cd944f9" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"2" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]" "1902.42212" "4.422119" "0.488442" "0.059493" "0.750000" "207" "0.735650" "9c570b75-fe0c-43b8-9311-7b8af17dd55b" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"3" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]" "1902.42212" "4.422119" "0.386355" "0.040677" "0.820129" "383" "0.778451" "0bfc9541-70d5-4d50-89c4-351a87971133" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"3" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]" "1899.05493" "1.054953" "0.397179" "0.067567" "0.752874" "131" "0.776361" "34a5b91e-e473-4ed6-9a40-067e0cd944f9" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"3" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.432196" "0.071307" "0.629412" "107" "0.674075" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"3" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]" "1901.63" "3.63" "0.442519" "0.050286" "0.760000" "266" "0.736184" "0d5164ce-be48-454d-979b-ed8b92e32c1d" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"3" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.444237" "0.049887" "0.717087" "256" "0.684181" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" +"3" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-1]" "1902.77417" "4.77417" "0.447985" "0.049143" "0.730458" "271" "0.694770" "7508f46a-70b0-43eb-b5b6-0421ff41c0e8" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" +"3" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.452164" "0.063257" "0.610619" "138" "0.632476" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"3" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.474485" "0.049391" "0.742931" "289" "0.703453" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"4" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.402546" "0.057918" "0.445833" "107" "0.528728" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"4" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]" "1902.42212" "4.422119" "0.403359" "0.041386" "0.704883" "332" "0.694246" "0bfc9541-70d5-4d50-89c4-351a87971133" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"4" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.410697" "0.064086" "0.560000" "112" "0.620549" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"4" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]" "1901.63" "3.63" "0.417042" "0.048134" "0.630556" "227" "0.651003" "0d5164ce-be48-454d-979b-ed8b92e32c1d" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"4" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.418163" "0.048401" "0.551821" "197" "0.574924" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" +"4" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.421355" "0.063347" "0.609524" "128" "0.660118" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"4" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.423169" "0.045105" "0.617788" "257" "0.618838" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"4" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]" "1902.77417" "4.77417" "0.445823" "0.051361" "0.547337" "185" "0.578930" "7e14465a-7065-490c-9e50-e625c1c14f4d" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" +"5" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]" "1899.05493" "1.054953" "0.354764" "0.069239" "0.655405" "97" "0.698125" "8d439b60-424f-46f7-b996-c0c2114f797e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"5" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.402286" "0.038282" "0.825137" "453" "0.765092" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"5" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]" "1902.42212" "4.422119" "0.411939" "0.045903" "0.767263" "300" "0.728631" "1f3b3037-bb9d-45fa-9a9c-70cc299da470" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"5" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]" "1901.63" "3.63" "0.411939" "0.081512" "0.661290" "82" "0.696781" "6c360eba-d726-44d9-a666-d0695d8448cf" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"5" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.424959" "0.071340" "0.622754" "104" "0.667898" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"5" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.484940" "0.052122" "0.725490" "259" "0.689973" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" +"5" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.488565" "0.048465" "0.766827" "319" "0.720425" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"6" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]" "1899.05493" "1.054953" "0.315586" "0.052615" "0.578947" "132" "0.600272" "8d439b60-424f-46f7-b996-c0c2114f797e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"6" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--1]" "1902.42212" "4.422119" "0.319162" "0.051680" "0.556485" "133" "0.597789" "c3592e5c-0d20-406b-ac62-32bd60255caf" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"6" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.356775" "0.055578" "0.463203" "107" "0.526555" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"6" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.375096" "0.036932" "0.600000" "330" "0.608353" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"6" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]" "1899.495" "1.49494946" "0.386560" "0.051992" "0.297203" "85" "0.414243" "11e07008-ff9d-4d76-9b09-590beaa90f22" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"6" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.389454" "0.051385" "0.386441" "114" "0.487833" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" +"6" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.453840" "0.061627" "0.569038" "136" "0.606397" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"6" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.468881" "0.047196" "0.484561" "204" "0.535427" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"7" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]" "1902.42212" "4.422119" "0.311034" "0.036381" "0.568085" "267" "0.599315" "0bfc9541-70d5-4d50-89c4-351a87971133" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"7" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]" "1899.05493" "1.054953" "0.312285" "0.034491" "0.586667" "308" "0.601783" "28f50103-c931-4a74-b5d2-1a77ac420ea5" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"7" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.333444" "0.051752" "0.574297" "143" "0.618202" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"7" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.359654" "0.035904" "0.620072" "346" "0.626896" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"7" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]" "1899.495" "1.49494946" "0.376752" "0.049704" "0.403279" "123" "0.499904" "11e07008-ff9d-4d76-9b09-590beaa90f22" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"7" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.405417" "0.050735" "0.488889" "154" "0.567611" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" +"7" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.418716" "0.056862" "0.679537" "176" "0.700350" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"7" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.432311" "0.044999" "0.505855" "216" "0.553539" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" "8" "" "no results" "" "" "" "" "" "" "" "" "" "" -"9" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]" "1899.05493" "1.054953" "0.128620371" "0.06717883" "0.8596491" "49" "0.802279055" "62f9b835-3d55-4a27-81a1-0dab814aceb0" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"9" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]" "1902.42212" "4.422119" "0.203193992" "0.08926585" "0.843137264" "43" "0.789225161" "5cf7c784-d01f-4163-ac19-ef2429eb410b" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"10" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]" "1899.05493" "1.054953" "0.145974338" "0.072203666" "0.839285731" "47" "0.774020731" "62f9b835-3d55-4a27-81a1-0dab814aceb0" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"10" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]" "1902.42212" "4.422119" "0.231892109" "0.09631036" "0.82" "41" "0.7587727" "5cf7c784-d01f-4163-ac19-ef2429eb410b" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"9" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]" "1899.05493" "1.054953" "0.128620" "0.067179" "0.859649" "49" "0.802279" "62f9b835-3d55-4a27-81a1-0dab814aceb0" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"9" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]" "1902.42212" "4.422119" "0.203194" "0.089266" "0.843137" "43" "0.789225" "5cf7c784-d01f-4163-ac19-ef2429eb410b" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"10" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]" "1899.05493" "1.054953" "0.145974" "0.072204" "0.839286" "47" "0.774021" "62f9b835-3d55-4a27-81a1-0dab814aceb0" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"10" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]" "1902.42212" "4.422119" "0.231892" "0.096310" "0.820000" "41" "0.758773" "5cf7c784-d01f-4163-ac19-ef2429eb410b" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" "11" "" "no results" "" "" "" "" "" "" "" "" "" "" -"13" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]" "1899.05493" "1.054953" "0.169009715" "0.0388460457" "0.5535714" "124" "0.577645063" "8d439b60-424f-46f7-b996-c0c2114f797e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"13" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]" "1902.42212" "4.422119" "0.173254281" "0.0297313016" "0.4515306" "177" "0.5150558" "1f3b3037-bb9d-45fa-9a9c-70cc299da470" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"13" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.198374733" "0.04144309" "0.46320346" "107" "0.5265545" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"13" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.2139774" "0.0279198289" "0.5974499" "328" "0.6059947" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"13" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.295577049" "0.03858825" "0.46095717" "183" "0.5219953" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" -"13" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.298371822" "0.04895468" "0.626506031" "156" "0.6550603" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"13" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.3004605" "0.045287136" "0.37542662" "110" "0.479125" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" -"13" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.303167731" "0.03795032" "0.484560579" "204" "0.5354268" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"13" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]" "1899.05493" "1.054953" "0.169010" "0.038846" "0.553571" "124" "0.577645" "8d439b60-424f-46f7-b996-c0c2114f797e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"13" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]" "1902.42212" "4.422119" "0.173254" "0.029731" "0.451531" "177" "0.515056" "1f3b3037-bb9d-45fa-9a9c-70cc299da470" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"13" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.198375" "0.041443" "0.463203" "107" "0.526555" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"13" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.213977" "0.027920" "0.597450" "328" "0.605995" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"13" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.295577" "0.038588" "0.460957" "183" "0.521995" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"13" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.298372" "0.048955" "0.626506" "156" "0.655060" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"13" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.300461" "0.045287" "0.375427" "110" "0.479125" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" +"13" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.303168" "0.037950" "0.484561" "204" "0.535427" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" "14" "" "no results" "" "" "" "" "" "" "" "" "" "" "15" "" "no results" "" "" "" "" "" "" "" "" "" "" "16" "" "no results" "" "" "" "" "" "" "" "" "" "" "17" "" "no results" "" "" "" "" "" "" "" "" "" "" -"18" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.209903836" "0.0601583831" "0.8103448" "94" "0.783262" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" -"18" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.240307823" "0.0475017" "0.85915494" "183" "0.7903839" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"18" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]" "1902.42212" "4.422119" "0.266967148" "0.0622020029" "0.847826064" "117" "0.813898" "6e056b61-4da9-46e3-970b-680a22e4afd0" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"18" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.268232971" "0.0625764355" "0.846715331" "116" "0.813089132" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"18" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.280021936" "0.06640628" "0.8267717" "105" "0.794855952" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"18" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.289705932" "0.063654" "0.867132843" "124" "0.835505962" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"18" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]" "1902.77417" "4.77417" "0.452285469" "0.08009617" "0.8865248" "125" "0.8606896" "6754fc3e-ad28-4576-b723-60aa4fa0790b" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" -"18" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]" "1899.495" "1.49494946" "0.4736493" "0.0596764" "0.8947368" "238" "0.8278728" "4c89b294-311e-4e11-8af3-8e80b969109f" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" -"19" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]" "1899.05493" "1.054953" "0.189724684" "0.0268077236" "0.6041667" "319" "0.6153477" "28f50103-c931-4a74-b5d2-1a77ac420ea5" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"19" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]" "1902.42212" "4.422119" "0.195334315" "0.031528838" "0.468193382" "184" "0.5269175" "1f3b3037-bb9d-45fa-9a9c-70cc299da470" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"19" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.205342725" "0.0421646647" "0.4848485" "112" "0.546345532" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"19" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.221429184" "0.02832454" "0.614130437" "339" "0.61901623" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"19" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.293066233" "0.04851748" "0.646586359" "161" "0.6735261" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"19" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.294312984" "0.0385056473" "0.473551631" "188" "0.530448139" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" -"19" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.2977491" "0.03747635" "0.5070755" "215" "0.5523996" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" -"19" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-6]" "1896.99829" "1.001709" "0.303958982" "0.04892216" "0.6062992" "154" "0.6474817" "063fa226-ed62-4d9f-9d5c-ee52c0974e55" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"18" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.209904" "0.060158" "0.810345" "94" "0.783262" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"18" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.240308" "0.047502" "0.859155" "183" "0.790384" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"18" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]" "1902.42212" "4.422119" "0.266967" "0.062202" "0.847826" "117" "0.813898" "6e056b61-4da9-46e3-970b-680a22e4afd0" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"18" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.268233" "0.062576" "0.846715" "116" "0.813089" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"18" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.280022" "0.066406" "0.826772" "105" "0.794856" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"18" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.289706" "0.063654" "0.867133" "124" "0.835506" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"18" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]" "1902.77417" "4.77417" "0.452285" "0.080096" "0.886525" "125" "0.860690" "6754fc3e-ad28-4576-b723-60aa4fa0790b" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" +"18" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]" "1899.495" "1.49494946" "0.473649" "0.059676" "0.894737" "238" "0.827873" "4c89b294-311e-4e11-8af3-8e80b969109f" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"19" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]" "1899.05493" "1.054953" "0.189725" "0.026808" "0.604167" "319" "0.615348" "28f50103-c931-4a74-b5d2-1a77ac420ea5" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"19" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]" "1902.42212" "4.422119" "0.195334" "0.031529" "0.468193" "184" "0.526918" "1f3b3037-bb9d-45fa-9a9c-70cc299da470" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"19" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.205343" "0.042165" "0.484849" "112" "0.546346" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"19" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.221429" "0.028325" "0.614130" "339" "0.619016" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"19" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.293066" "0.048517" "0.646586" "161" "0.673526" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"19" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.294313" "0.038506" "0.473552" "188" "0.530448" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"19" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.297749" "0.037476" "0.507076" "215" "0.552400" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"19" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-6]" "1896.99829" "1.001709" "0.303959" "0.048922" "0.606299" "154" "0.647482" "063fa226-ed62-4d9f-9d5c-ee52c0974e55" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" "20" "" "no results" "" "" "" "" "" "" "" "" "" "" "21" "" "no results" "" "" "" "" "" "" "" "" "" "" "22" "" "no results" "" "" "" "" "" "" "" "" "" "" -"23" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.31787312" "0.0340916663" "0.892138958" "488" "0.8194986" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"23" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.40171" "0.07521893" "0.8239437" "117" "0.8287425" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" -"23" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]" "1902.77417" "4.77417" "0.4068263" "0.0493567176" "0.832335353" "278" "0.7741276" "7e14465a-7065-490c-9e50-e625c1c14f4d" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" -"23" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.412308335" "0.0445760936" "0.8578313" "356" "0.789270163" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" -"23" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]" "1902.42212" "4.422119" "0.412312329" "0.073175855" "0.77922076" "120" "0.7812011" "6e056b61-4da9-46e3-970b-680a22e4afd0" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"23" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.413312733" "0.0737450048" "0.7697368" "117" "0.7728186" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"23" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.424154133" "0.07648792" "0.7724138" "112" "0.7785659" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"23" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.43131122" "0.07297143" "0.820987642" "133" "0.819381952" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"23" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.437627643" "0.0495146" "0.8347339" "298" "0.7703705" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" -"24" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.232288077" "0.0416352376" "0.5074627" "136" "0.5617198" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" -"24" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]" "1902.42212" "4.422119" "0.235254377" "0.03180954" "0.716129" "333" "0.6976916" "0bfc9541-70d5-4d50-89c4-351a87971133" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"24" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]" "1899.05493" "1.054953" "0.239975646" "0.0519264452" "0.606741548" "108" "0.65231514" "8d439b60-424f-46f7-b996-c0c2114f797e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"24" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.2622103" "0.0521268174" "0.55440414" "107" "0.6185626" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"24" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]" "1899.495" "1.49494946" "0.2700426" "0.04423608" "0.510869563" "141" "0.560991943" "11e07008-ff9d-4d76-9b09-590beaa90f22" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" -"24" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.286982745" "0.03230439" "0.7381818" "406" "0.701555133" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"24" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]" "1901.63" "3.63" "0.3181354" "0.0596203469" "0.798882663" "143" "0.799955" "6c360eba-d726-44d9-a666-d0695d8448cf" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"24" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.35163945" "0.0409691334" "0.6587112" "276" "0.648871064" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"23" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.317873" "0.034092" "0.892139" "488" "0.819499" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"23" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.401710" "0.075219" "0.823944" "117" "0.828743" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"23" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]" "1902.77417" "4.77417" "0.406826" "0.049357" "0.832335" "278" "0.774128" "7e14465a-7065-490c-9e50-e625c1c14f4d" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" +"23" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.412308" "0.044576" "0.857831" "356" "0.789270" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"23" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]" "1902.42212" "4.422119" "0.412312" "0.073176" "0.779221" "120" "0.781201" "6e056b61-4da9-46e3-970b-680a22e4afd0" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"23" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.413313" "0.073745" "0.769737" "117" "0.772819" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"23" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.424154" "0.076488" "0.772414" "112" "0.778566" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"23" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.431311" "0.072971" "0.820988" "133" "0.819382" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"23" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.437628" "0.049515" "0.834734" "298" "0.770370" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" +"24" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.232288" "0.041635" "0.507463" "136" "0.561720" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" +"24" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]" "1902.42212" "4.422119" "0.235254" "0.031810" "0.716129" "333" "0.697692" "0bfc9541-70d5-4d50-89c4-351a87971133" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"24" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]" "1899.05493" "1.054953" "0.239976" "0.051926" "0.606742" "108" "0.652315" "8d439b60-424f-46f7-b996-c0c2114f797e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"24" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.262210" "0.052127" "0.554404" "107" "0.618563" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"24" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]" "1899.495" "1.49494946" "0.270043" "0.044236" "0.510870" "141" "0.560992" "11e07008-ff9d-4d76-9b09-590beaa90f22" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"24" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.286983" "0.032304" "0.738182" "406" "0.701555" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"24" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]" "1901.63" "3.63" "0.318135" "0.059620" "0.798883" "143" "0.799955" "6c360eba-d726-44d9-a666-d0695d8448cf" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"24" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.351639" "0.040969" "0.658711" "276" "0.648871" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" "25" "" "no results" "" "" "" "" "" "" "" "" "" "" -"26" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.19449544" "0.03802713" "0.583643138" "157" "0.614511251" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" -"26" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]" "1902.42212" "4.422119" "0.3217005" "0.0406170674" "0.6871795" "268" "0.670606434" "1f3b3037-bb9d-45fa-9a9c-70cc299da470" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"26" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-34]" "1899.05493" "1.054953" "0.344280958" "0.0430808775" "0.6792453" "252" "0.6687114" "8dee81a1-8d98-4a73-b55d-9de42f10e190" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"26" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.395884931" "0.06784772" "0.4883721" "84" "0.5683281" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"26" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.427320033" "0.04681223" "0.6769231" "264" "0.659248" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" -"26" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.427679241" "0.06071977" "0.5301724" "123" "0.5829808" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"26" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.465603054" "0.07114003" "0.6576087" "121" "0.69967103" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"26" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-3]" "1896.99829" "1.001709" "0.465666384" "0.0664371848" "0.592417061" "125" "0.644419968" "8216bdb2-7a7d-440c-95eb-7e63f8e8c502" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"26" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.194495" "0.038027" "0.583643" "157" "0.614511" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" +"26" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]" "1902.42212" "4.422119" "0.321701" "0.040617" "0.687180" "268" "0.670606" "1f3b3037-bb9d-45fa-9a9c-70cc299da470" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"26" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-34]" "1899.05493" "1.054953" "0.344281" "0.043081" "0.679245" "252" "0.668711" "8dee81a1-8d98-4a73-b55d-9de42f10e190" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"26" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.395885" "0.067848" "0.488372" "84" "0.568328" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"26" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.427320" "0.046812" "0.676923" "264" "0.659248" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"26" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.427679" "0.060720" "0.530172" "123" "0.582981" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"26" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.465603" "0.071140" "0.657609" "121" "0.699671" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"26" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-3]" "1896.99829" "1.001709" "0.465666" "0.066437" "0.592417" "125" "0.644420" "8216bdb2-7a7d-440c-95eb-7e63f8e8c502" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" "27" "" "no results" "" "" "" "" "" "" "" "" "" "" "28" "" "no results" "" "" "" "" "" "" "" "" "" "" -"29" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-13]" "1899.05493" "1.054953" "0.09931051" "0.03675817" "0.8707483" "128" "0.838178635" "3077498f-10ce-4b5c-ba6a-9b6f439e8248" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"29" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]" "1902.42212" "4.422119" "0.421677" "0.06322134" "0.890995264" "188" "0.8402361" "39e48209-b3a4-41cf-b83d-78d92a054d12" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"30" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]" "1899.05493" "1.054953" "0.2612175" "0.05961526" "0.877551" "129" "0.8724958" "34a5b91e-e473-4ed6-9a40-067e0cd944f9" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"30" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]" "1902.42212" "4.422119" "0.308447272" "0.0369433463" "0.8960177" "405" "0.826731861" "0bfc9541-70d5-4d50-89c4-351a87971133" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"30" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]" "1901.63" "3.63" "0.31029287" "0.07687874" "0.8857143" "93" "0.8900069" "6c360eba-d726-44d9-a666-d0695d8448cf" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"30" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.328630984" "0.0649093" "0.8397436" "131" "0.8301488" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"30" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.3761082" "0.0575649925" "0.845815" "192" "0.810805559" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"30" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.3884204" "0.04664788" "0.8627451" "308" "0.7934234" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" -"30" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-4]" "1896.99829" "1.001709" "0.3937276" "0.0530314967" "0.85" "238" "0.7980373" "d943c34e-3a28-43a2-9cbc-a05ab6a7a506" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" -"30" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.412831277" "0.04613021" "0.873711348" "339" "0.8028878" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"29" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-13]" "1899.05493" "1.054953" "0.099311" "0.036758" "0.870748" "128" "0.838179" "3077498f-10ce-4b5c-ba6a-9b6f439e8248" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"29" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]" "1902.42212" "4.422119" "0.421677" "0.063221" "0.890995" "188" "0.840236" "39e48209-b3a4-41cf-b83d-78d92a054d12" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"30" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]" "1899.05493" "1.054953" "0.261217" "0.059615" "0.877551" "129" "0.872496" "34a5b91e-e473-4ed6-9a40-067e0cd944f9" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"30" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]" "1902.42212" "4.422119" "0.308447" "0.036943" "0.896018" "405" "0.826732" "0bfc9541-70d5-4d50-89c4-351a87971133" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"30" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]" "1901.63" "3.63" "0.310293" "0.076879" "0.885714" "93" "0.890007" "6c360eba-d726-44d9-a666-d0695d8448cf" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"30" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.328631" "0.064909" "0.839744" "131" "0.830149" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"30" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.376108" "0.057565" "0.845815" "192" "0.810806" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"30" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.388420" "0.046648" "0.862745" "308" "0.793423" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" +"30" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-4]" "1896.99829" "1.001709" "0.393728" "0.053031" "0.850000" "238" "0.798037" "d943c34e-3a28-43a2-9cbc-a05ab6a7a506" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"30" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.412831" "0.046130" "0.873711" "339" "0.802888" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" "31" "" "no results" "" "" "" "" "" "" "" "" "" "" -"32" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.285083026" "0.0468289033" "0.8923077" "232" "0.838121355" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" +"32" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.285083" "0.046829" "0.892308" "232" "0.838121" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" "33" "" "no results" "" "" "" "" "" "" "" "" "" "" "34" "" "no results" "" "" "" "" "" "" "" "" "" "" "35" "" "no results" "" "" "" "" "" "" "" "" "" "" @@ -125,61 +125,61 @@ "37" "" "no results" "" "" "" "" "" "" "" "" "" "" "38" "" "no results" "" "" "" "" "" "" "" "" "" "" "39" "" "no results" "" "" "" "" "" "" "" "" "" "" -"40" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]" "1902.42212" "4.422119" "0.277911574" "0.06256395" "0.732394338" "104" "0.729044855" "6e056b61-4da9-46e3-970b-680a22e4afd0" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"40" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.278482944" "0.06262823" "0.7394366" "105" "0.736245036" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"40" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.280440927" "0.0621944554" "0.737931" "107" "0.732707858" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"40" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.2874546" "0.0645446256" "0.768115938" "106" "0.7676177" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"40" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.2895849" "0.06674693" "0.77692306" "101" "0.7805435" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" -"40" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.2977326" "0.0378339365" "0.8798077" "366" "0.810132563" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" -"40" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.297866017" "0.0522753857" "0.788990855" "172" "0.7474291" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"40" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.3113892" "0.0400636867" "0.8685567" "337" "0.798404" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" -"40" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.3266352" "0.042777203" "0.857142866" "306" "0.7886923" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" -"41" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]" "1899.05493" "1.054953" "0.274106264" "0.0659613" "0.880952358" "111" "0.8493862" "34a5b91e-e473-4ed6-9a40-067e0cd944f9" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"41" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--4]" "1902.42212" "4.422119" "0.3795422" "0.0640559047" "0.8972973" "166" "0.846152842" "aa553c8b-f188-48eb-ae82-5d7769781ff3" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"41" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]" "1901.63" "3.63" "0.388783872" "0.09984397" "0.8076923" "63" "0.7976193" "6c360eba-d726-44d9-a666-d0695d8448cf" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"41" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.411971271" "0.07755114" "0.8540146" "117" "0.807369" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"40" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]" "1902.42212" "4.422119" "0.277912" "0.062564" "0.732394" "104" "0.729045" "6e056b61-4da9-46e3-970b-680a22e4afd0" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"40" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.278483" "0.062628" "0.739437" "105" "0.736245" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"40" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.280441" "0.062194" "0.737931" "107" "0.732708" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"40" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.287455" "0.064545" "0.768116" "106" "0.767618" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"40" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.289585" "0.066747" "0.776923" "101" "0.780543" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"40" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.297733" "0.037834" "0.879808" "366" "0.810133" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"40" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.297866" "0.052275" "0.788991" "172" "0.747429" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"40" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.311389" "0.040064" "0.868557" "337" "0.798404" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"40" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.326635" "0.042777" "0.857143" "306" "0.788692" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" +"41" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]" "1899.05493" "1.054953" "0.274106" "0.065961" "0.880952" "111" "0.849386" "34a5b91e-e473-4ed6-9a40-067e0cd944f9" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"41" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--4]" "1902.42212" "4.422119" "0.379542" "0.064056" "0.897297" "166" "0.846153" "aa553c8b-f188-48eb-ae82-5d7769781ff3" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"41" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]" "1901.63" "3.63" "0.388784" "0.099844" "0.807692" "63" "0.797619" "6c360eba-d726-44d9-a666-d0695d8448cf" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"41" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.411971" "0.077551" "0.854015" "117" "0.807369" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" "42" "" "no results" "" "" "" "" "" "" "" "" "" "" "43" "" "no results" "" "" "" "" "" "" "" "" "" "" -"44" "Hexadecenoic acid methyl ester, 9-(Z)-, n-" "Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--1]" "1897.67859" "0.321411133" "0.496792018" "0.0564319454" "0.8076923" "252" "0.7531352" "1ac5af55-f8bc-49fd-9808-23a0722c0288" "75683e89-302c-4280-a15e-e1187cd75ceb" "75683e89-302c-4280-a15e-e1187cd75ceb" -"45" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.240036309" "0.0654703155" "0.8660714" "97" "0.817842841" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" -"45" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]" "1902.42212" "4.422119" "0.295640856" "0.06642703" "0.8955224" "120" "0.846885443" "6e056b61-4da9-46e3-970b-680a22e4afd0" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"45" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.2960842" "0.06672626" "0.8947368" "119" "0.8462343" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"45" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.30949235" "0.07036958" "0.896" "112" "0.8524104" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"45" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.321015328" "0.0684569553" "0.8978102" "123" "0.8487915" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"44" "Hexadecenoic acid methyl ester, 9-(Z)-, n-" "Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--1]" "1897.67859" "0.321411133" "0.496792" "0.056432" "0.807692" "252" "0.753135" "1ac5af55-f8bc-49fd-9808-23a0722c0288" "75683e89-302c-4280-a15e-e1187cd75ceb" "75683e89-302c-4280-a15e-e1187cd75ceb" +"45" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.240036" "0.065470" "0.866071" "97" "0.817843" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"45" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]" "1902.42212" "4.422119" "0.295641" "0.066427" "0.895522" "120" "0.846885" "6e056b61-4da9-46e3-970b-680a22e4afd0" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"45" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]" "1899.05493" "1.054953" "0.296084" "0.066726" "0.894737" "119" "0.846234" "833ab58c-a8fa-4389-8b42-95e618cafb91" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"45" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.309492" "0.070370" "0.896000" "112" "0.852410" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"45" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.321015" "0.068457" "0.897810" "123" "0.848792" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" "46" "" "no results" "" "" "" "" "" "" "" "" "" "" "47" "" "no results" "" "" "" "" "" "" "" "" "" "" "48" "" "no results" "" "" "" "" "" "" "" "" "" "" -"49" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.339354962" "0.06794906" "0.789115667" "116" "0.7937466" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"49" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]" "1902.77417" "4.77417" "0.3519312" "0.0481179468" "0.858552635" "261" "0.8186131" "8bbd7202-8794-4486-8b16-61d8dff4c5bd" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" -"49" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-1]" "1899.05493" "1.054953" "0.359753639" "0.040576715" "0.8741419" "382" "0.809872568" "e62d396e-0d3a-4414-88f0-021d5142f09b" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"49" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.360862046" "0.04160232" "0.8633093" "360" "0.797326" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" -"49" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]" "1902.42212" "4.422119" "0.369685978" "0.0597649142" "0.845410645" "175" "0.8303501" "c1226b8e-944e-4d32-ae01-8a9d12465d34" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"49" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.373405039" "0.0552105457" "0.8897959" "218" "0.871291757" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"49" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.381997973" "0.04606746" "0.844444454" "304" "0.7836719" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" -"49" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.41416198" "0.0457932577" "0.86835444" "343" "0.810132265" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" -"49" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-4]" "1896.99829" "1.001709" "0.456007272" "0.0551366322" "0.8933333" "268" "0.8647887" "d943c34e-3a28-43a2-9cbc-a05ab6a7a506" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"49" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.339355" "0.067949" "0.789116" "116" "0.793747" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"49" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]" "1902.77417" "4.77417" "0.351931" "0.048118" "0.858553" "261" "0.818613" "8bbd7202-8794-4486-8b16-61d8dff4c5bd" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" +"49" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-1]" "1899.05493" "1.054953" "0.359754" "0.040577" "0.874142" "382" "0.809873" "e62d396e-0d3a-4414-88f0-021d5142f09b" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"49" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.360862" "0.041602" "0.863309" "360" "0.797326" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"49" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]" "1902.42212" "4.422119" "0.369686" "0.059765" "0.845411" "175" "0.830350" "c1226b8e-944e-4d32-ae01-8a9d12465d34" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"49" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.373405" "0.055211" "0.889796" "218" "0.871292" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"49" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)" "Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]" "1897.83862" "0.161383286" "0.381998" "0.046067" "0.844444" "304" "0.783672" "c1d0193b-0442-41fe-aab0-fc2438624170" "151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff" "471f9ab0-1cf5-40d3-ba88-edc2458d3242" +"49" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]" "1899.495" "1.49494946" "0.414162" "0.045793" "0.868354" "343" "0.810132" "754097ce-c7df-40cb-bec1-ba8b0fad83f8" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"49" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-4]" "1896.99829" "1.001709" "0.456007" "0.055137" "0.893333" "268" "0.864789" "d943c34e-3a28-43a2-9cbc-a05ab6a7a506" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" "50" "" "no results" "" "" "" "" "" "" "" "" "" "" -"51" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.123899154" "0.04382828" "0.8914729" "115" "0.859087646" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"51" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]" "1902.77417" "4.77417" "0.335227549" "0.0710001141" "0.864661634" "115" "0.820953369" "6754fc3e-ad28-4576-b723-60aa4fa0790b" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" +"51" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.123899" "0.043828" "0.891473" "115" "0.859088" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"51" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]" "1902.77417" "4.77417" "0.335228" "0.071000" "0.864662" "115" "0.820953" "6754fc3e-ad28-4576-b723-60aa4fa0790b" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" "52" "" "no results" "" "" "" "" "" "" "" "" "" "" "53" "" "no results" "" "" "" "" "" "" "" "" "" "" "54" "" "no results" "" "" "" "" "" "" "" "" "" "" "55" "" "no results" "" "" "" "" "" "" "" "" "" "" "56" "" "no results" "" "" "" "" "" "" "" "" "" "" -"57" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.3086605" "0.0472080037" "0.8050541" "223" "0.7846002" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" -"57" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]" "1899.05493" "1.054953" "0.432055831" "0.0723674" "0.8242424" "136" "0.8337416" "34a5b91e-e473-4ed6-9a40-067e0cd944f9" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"57" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]" "1902.42212" "4.422119" "0.440757215" "0.0556150451" "0.8245614" "235" "0.8042714" "9c570b75-fe0c-43b8-9311-7b8af17dd55b" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"57" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]" "1899.495" "1.49494946" "0.482367963" "0.0575781539" "0.824742258" "240" "0.802868068" "11e07008-ff9d-4d76-9b09-590beaa90f22" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" -"57" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.494594038" "0.07413156" "0.8333333" "150" "0.839251935" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"57" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.308661" "0.047208" "0.805054" "223" "0.784600" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" +"57" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]" "1899.05493" "1.054953" "0.432056" "0.072367" "0.824242" "136" "0.833742" "34a5b91e-e473-4ed6-9a40-067e0cd944f9" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"57" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]" "1902.42212" "4.422119" "0.440757" "0.055615" "0.824561" "235" "0.804271" "9c570b75-fe0c-43b8-9311-7b8af17dd55b" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"57" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]" "1899.495" "1.49494946" "0.482368" "0.057578" "0.824742" "240" "0.802868" "11e07008-ff9d-4d76-9b09-590beaa90f22" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"57" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.494594" "0.074132" "0.833333" "150" "0.839252" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" "58" "" "no results" "" "" "" "" "" "" "" "" "" "" "59" "" "no results" "" "" "" "" "" "" "" "" "" "" -"60" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]" "1899.05493" "1.054953" "0.17318368" "0.06273749" "0.852272749" "75" "0.8504949" "3468acbd-3fed-489b-b93d-b3c9beab9f82" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"60" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]" "1901.63" "3.63" "0.175843075" "0.0643232837" "0.8235294" "70" "0.8236748" "6c360eba-d726-44d9-a666-d0695d8448cf" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"60" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.185437113" "0.05092667" "0.853146851" "122" "0.8227301" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"60" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]" "1902.42212" "4.422119" "0.185893178" "0.0448291861" "0.854054034" "158" "0.802647948" "c1226b8e-944e-4d32-ae01-8a9d12465d34" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"60" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.2467115" "0.0623315349" "0.8976378" "114" "0.88253355" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" -"60" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]" "1902.77417" "4.77417" "0.2950538" "0.04510935" "0.8965517" "260" "0.8291562" "8bbd7202-8794-4486-8b16-61d8dff4c5bd" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" -"60" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]" "1899.495" "1.49494946" "0.365909427" "0.052255787" "0.8955224" "240" "0.833884954" "4c89b294-311e-4e11-8af3-8e80b969109f" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"60" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]" "1899.05493" "1.054953" "0.173184" "0.062737" "0.852273" "75" "0.850495" "3468acbd-3fed-489b-b93d-b3c9beab9f82" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"60" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]" "1901.63" "3.63" "0.175843" "0.064323" "0.823529" "70" "0.823675" "6c360eba-d726-44d9-a666-d0695d8448cf" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"60" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.185437" "0.050927" "0.853147" "122" "0.822730" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"60" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]" "1902.42212" "4.422119" "0.185893" "0.044829" "0.854054" "158" "0.802648" "c1226b8e-944e-4d32-ae01-8a9d12465d34" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"60" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-5]" "1896.99829" "1.001709" "0.246712" "0.062332" "0.897638" "114" "0.882534" "817f2a03-9df5-46e3-973c-b2a9675109cf" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"60" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP" "Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]" "1902.77417" "4.77417" "0.295054" "0.045109" "0.896552" "260" "0.829156" "8bbd7202-8794-4486-8b16-61d8dff4c5bd" "87e988c4-f26c-4e03-9a40-1b0c0b36ca67" "163bf790-e995-46a9-8059-446172ddca0f" +"60" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]" "1899.495" "1.49494946" "0.365909" "0.052256" "0.895522" "240" "0.833885" "4c89b294-311e-4e11-8af3-8e80b969109f" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" "61" "" "no results" "" "" "" "" "" "" "" "" "" "" "62" "" "no results" "" "" "" "" "" "" "" "" "" "" "63" "" "no results" "" "" "" "" "" "" "" "" "" "" @@ -195,8 +195,8 @@ "73" "" "no results" "" "" "" "" "" "" "" "" "" "" "74" "" "no results" "" "" "" "" "" "" "" "" "" "" "75" "" "no results" "" "" "" "" "" "" "" "" "" "" -"76" "Hexadecenoic acid methyl ester, 9-(Z)-, n-" "Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--3]" "1897.67859" "0.321411133" "0.4841707" "0.070833" "0.834196866" "161" "0.787648559" "2e42e393-8070-47b8-a933-d3c41043d785" "75683e89-302c-4280-a15e-e1187cd75ceb" "75683e89-302c-4280-a15e-e1187cd75ceb" -"77" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]" "1899.05493" "1.054953" "0.2844056" "0.07994458" "0.8876405" "79" "0.883293" "3468acbd-3fed-489b-b93d-b3c9beab9f82" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"76" "Hexadecenoic acid methyl ester, 9-(Z)-, n-" "Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--3]" "1897.67859" "0.321411133" "0.484171" "0.070833" "0.834197" "161" "0.787649" "2e42e393-8070-47b8-a933-d3c41043d785" "75683e89-302c-4280-a15e-e1187cd75ceb" "75683e89-302c-4280-a15e-e1187cd75ceb" +"77" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]" "1899.05493" "1.054953" "0.284406" "0.079945" "0.887641" "79" "0.883293" "3468acbd-3fed-489b-b93d-b3c9beab9f82" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" "78" "" "no results" "" "" "" "" "" "" "" "" "" "" "79" "" "no results" "" "" "" "" "" "" "" "" "" "" "80" "" "no results" "" "" "" "" "" "" "" "" "" "" @@ -215,7 +215,7 @@ "93" "" "no results" "" "" "" "" "" "" "" "" "" "" "94" "" "no results" "" "" "" "" "" "" "" "" "" "" "95" "" "no results" "" "" "" "" "" "" "" "" "" "" -"96" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.08678086" "0.0508967042" "0.477611929" "32" "0.5542277" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"96" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.086781" "0.050897" "0.477612" "32" "0.554228" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "97" "" "no results" "" "" "" "" "" "" "" "" "" "" "98" "" "no results" "" "" "" "" "" "" "" "" "" "" "99" "" "no results" "" "" "" "" "" "" "" "" "" "" @@ -225,13 +225,13 @@ "103" "" "no results" "" "" "" "" "" "" "" "" "" "" "104" "" "no results" "" "" "" "" "" "" "" "" "" "" "105" "" "no results" "" "" "" "" "" "" "" "" "" "" -"106" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.08444913" "0.0502082668" "0.477611929" "32" "0.5542277" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" -"107" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.09447143" "0.0523287952" "0.5072464" "35" "0.5783457" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"106" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.084449" "0.050208" "0.477612" "32" "0.554228" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"107" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.094471" "0.052329" "0.507246" "35" "0.578346" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "108" "" "no results" "" "" "" "" "" "" "" "" "" "" "109" "" "no results" "" "" "" "" "" "" "" "" "" "" "110" "" "no results" "" "" "" "" "" "" "" "" "" "" "111" "" "no results" "" "" "" "" "" "" "" "" "" "" -"112" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.0940891653" "0.0529965349" "0.522388041" "35" "0.5863345" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"112" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.094089" "0.052997" "0.522388" "35" "0.586334" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "113" "" "no results" "" "" "" "" "" "" "" "" "" "" "114" "" "no results" "" "" "" "" "" "" "" "" "" "" "115" "" "no results" "" "" "" "" "" "" "" "" "" "" @@ -239,13 +239,13 @@ "117" "" "no results" "" "" "" "" "" "" "" "" "" "" "118" "" "no results" "" "" "" "" "" "" "" "" "" "" "119" "" "no results" "" "" "" "" "" "" "" "" "" "" -"120" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.092078425" "0.05282288" "0.545454562" "36" "0.6008149" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"120" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.092078" "0.052823" "0.545455" "36" "0.600815" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "121" "" "no results" "" "" "" "" "" "" "" "" "" "" "122" "" "no results" "" "" "" "" "" "" "" "" "" "" "123" "" "no results" "" "" "" "" "" "" "" "" "" "" -"124" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.07481606" "0.05036009" "0.5423729" "32" "0.5744617" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"124" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.074816" "0.050360" "0.542373" "32" "0.574462" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "125" "" "no results" "" "" "" "" "" "" "" "" "" "" -"126" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.09435291" "0.05307076" "0.5671642" "38" "0.6182873" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"126" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.094353" "0.053071" "0.567164" "38" "0.618287" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "127" "" "no results" "" "" "" "" "" "" "" "" "" "" "128" "" "no results" "" "" "" "" "" "" "" "" "" "" "129" "" "no results" "" "" "" "" "" "" "" "" "" "" @@ -255,20 +255,20 @@ "133" "" "no results" "" "" "" "" "" "" "" "" "" "" "134" "" "no results" "" "" "" "" "" "" "" "" "" "" "135" "" "no results" "" "" "" "" "" "" "" "" "" "" -"136" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.07581174" "0.050269857" "0.6" "36" "0.618036032" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"136" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.075812" "0.050270" "0.600000" "36" "0.618036" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "137" "" "no results" "" "" "" "" "" "" "" "" "" "" "138" "" "no results" "" "" "" "" "" "" "" "" "" "" "139" "" "no results" "" "" "" "" "" "" "" "" "" "" "140" "" "no results" "" "" "" "" "" "" "" "" "" "" "141" "" "no results" "" "" "" "" "" "" "" "" "" "" -"142" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.0759908259" "0.0507539362" "0.6101695" "36" "0.6193023" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"142" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.075991" "0.050754" "0.610170" "36" "0.619302" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "143" "" "no results" "" "" "" "" "" "" "" "" "" "" "144" "" "no results" "" "" "" "" "" "" "" "" "" "" "145" "" "no results" "" "" "" "" "" "" "" "" "" "" "146" "" "no results" "" "" "" "" "" "" "" "" "" "" "147" "" "no results" "" "" "" "" "" "" "" "" "" "" "148" "" "no results" "" "" "" "" "" "" "" "" "" "" -"149" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.06280607" "0.0465373769" "0.827586234" "48" "0.7647042" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"149" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.062806" "0.046537" "0.827586" "48" "0.764704" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "150" "" "no results" "" "" "" "" "" "" "" "" "" "" "151" "" "no results" "" "" "" "" "" "" "" "" "" "" "152" "" "no results" "" "" "" "" "" "" "" "" "" "" @@ -288,9 +288,9 @@ "166" "" "no results" "" "" "" "" "" "" "" "" "" "" "167" "" "no results" "" "" "" "" "" "" "" "" "" "" "168" "" "no results" "" "" "" "" "" "" "" "" "" "" -"169" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.110666931" "0.0607363" "0.9" "54" "0.8493862" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"169" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.110667" "0.060736" "0.900000" "54" "0.849386" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "170" "" "no results" "" "" "" "" "" "" "" "" "" "" -"171" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.126968026" "0.06616803" "0.8965517" "52" "0.8236299" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"171" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.126968" "0.066168" "0.896552" "52" "0.823630" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "172" "" "no results" "" "" "" "" "" "" "" "" "" "" "173" "" "no results" "" "" "" "" "" "" "" "" "" "" "174" "" "no results" "" "" "" "" "" "" "" "" "" "" @@ -334,13 +334,13 @@ "212" "" "no results" "" "" "" "" "" "" "" "" "" "" "213" "" "no results" "" "" "" "" "" "" "" "" "" "" "214" "" "no results" "" "" "" "" "" "" "" "" "" "" -"215" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]" "1899.05493" "1.054953" "0.111725941" "0.04333297" "0.689075649" "82" "0.72035563" "d87f501a-9d45-4244-9461-f8dd1943930e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"215" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--3]" "1902.42212" "4.422119" "0.121540077" "0.0373766236" "0.6436782" "112" "0.678422451" "5a6e8d9a-926f-4589-a67c-46ff9b93f7ca" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"215" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.12473502" "0.03924205" "0.6234568" "101" "0.6659031" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"215" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.1716096" "0.0389701054" "0.654867232" "148" "0.663134336" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"215" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-6]" "1896.99829" "1.001709" "0.201827526" "0.04762064" "0.7247191" "129" "0.7480244" "063fa226-ed62-4d9f-9d5c-ee52c0974e55" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" -"215" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.203410134" "0.0493563563" "0.742514968" "124" "0.76602006" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"215" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.21932818" "0.0323174857" "0.7952381" "334" "0.7466316" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"215" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]" "1899.05493" "1.054953" "0.111726" "0.043333" "0.689076" "82" "0.720356" "d87f501a-9d45-4244-9461-f8dd1943930e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"215" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--3]" "1902.42212" "4.422119" "0.121540" "0.037377" "0.643678" "112" "0.678422" "5a6e8d9a-926f-4589-a67c-46ff9b93f7ca" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"215" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]" "1897.25439" "0.745605469" "0.124735" "0.039242" "0.623457" "101" "0.665903" "d00de57d-6fab-49d0-9aee-25e259da9180" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"215" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]" "1893.44385" "4.55619574" "0.171610" "0.038970" "0.654867" "148" "0.663134" "2b364030-9fa7-4066-b685-52d7946110a6" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"215" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-6]" "1896.99829" "1.001709" "0.201828" "0.047621" "0.724719" "129" "0.748024" "063fa226-ed62-4d9f-9d5c-ee52c0974e55" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"215" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.203410" "0.049356" "0.742515" "124" "0.766020" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"215" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]" "1895.98438" "2.01558065" "0.219328" "0.032317" "0.795238" "334" "0.746632" "85927200-53a4-492a-ad57-0a7b1d8a6e85" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" "216" "" "no results" "" "" "" "" "" "" "" "" "" "" "217" "" "no results" "" "" "" "" "" "" "" "" "" "" "218" "" "no results" "" "" "" "" "" "" "" "" "" "" @@ -351,22 +351,22 @@ "223" "" "no results" "" "" "" "" "" "" "" "" "" "" "224" "" "no results" "" "" "" "" "" "" "" "" "" "" "225" "" "no results" "" "" "" "" "" "" "" "" "" "" -"226" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]" "1899.05493" "1.054953" "0.186731711" "0.04020852" "0.5974026" "138" "0.6166982" "8d439b60-424f-46f7-b996-c0c2114f797e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"226" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]" "1902.42212" "4.422119" "0.232166454" "0.0416243374" "0.4067164" "109" "0.504510641" "39e48209-b3a4-41cf-b83d-78d92a054d12" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"226" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-2]" "1897.25439" "0.745605469" "0.2555795" "0.04512749" "0.334661365" "84" "0.446271449" "c1f0e928-1960-4643-b93b-81a20351ccd9" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" -"226" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.29649204" "0.0328352377" "0.6" "330" "0.608352542" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" -"226" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.363172352" "0.0492873862" "0.408026755" "122" "0.504798055" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" -"226" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]" "1899.495" "1.49494946" "0.400953531" "0.05295159" "0.2972028" "85" "0.414242685" "11e07008-ff9d-4d76-9b09-590beaa90f22" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" -"226" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]" "1901.63" "3.63" "0.453271121" "0.0621097945" "0.7617021" "179" "0.738404453" "6c360eba-d726-44d9-a666-d0695d8448cf" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"226" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]" "1895.98438" "2.01558065" "0.483825535" "0.0507976674" "0.461333334" "173" "0.5301436" "1b34c722-1fd3-4d61-a48b-da2614f96e23" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" +"226" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]" "1899.05493" "1.054953" "0.186732" "0.040209" "0.597403" "138" "0.616698" "8d439b60-424f-46f7-b996-c0c2114f797e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"226" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]" "1902.42212" "4.422119" "0.232166" "0.041624" "0.406716" "109" "0.504511" "39e48209-b3a4-41cf-b83d-78d92a054d12" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"226" "Idose (1MEOX) (5TMS) BP" "Idose (1MEOX) (5TMS) BP [A191005-ambient-na-2]" "1897.25439" "0.745605469" "0.255580" "0.045127" "0.334661" "84" "0.446271" "c1f0e928-1960-4643-b93b-81a20351ccd9" "ab025068-f464-4bc6-9c92-994c29387db2" "6f4e926f-d7ef-47b6-a52c-91ff88ca567a" +"226" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.296492" "0.032835" "0.600000" "330" "0.608353" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"226" "Galactose_3_5TMS" "Galactose_3_5TMS [A190022-ambient-na-1]" "1896.3114" "1.68858171" "0.363172" "0.049287" "0.408027" "122" "0.504798" "ef78eeb1-ec7f-453d-90bd-cd1bf3b04153" "f01236e3-4d1e-493a-bd99-3aca2801f86e" "17441428-6e9c-4caf-84d5-561b494df795" +"226" "Glucose, 2-amino-2-deoxy- (5TMS) MP" "Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]" "1899.495" "1.49494946" "0.400954" "0.052952" "0.297203" "85" "0.414243" "11e07008-ff9d-4d76-9b09-590beaa90f22" "2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6" "539fe164-0ea9-4509-bf37-fc9bc8073646" +"226" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]" "1901.63" "3.63" "0.453271" "0.062110" "0.761702" "179" "0.738404" "6c360eba-d726-44d9-a666-d0695d8448cf" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"226" "Erythrose-4-phosphate (1MEOX) (4TMS) MP" "Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]" "1895.98438" "2.01558065" "0.483826" "0.050798" "0.461333" "173" "0.530144" "1b34c722-1fd3-4d61-a48b-da2614f96e23" "d4f07f67-d45b-43b6-bd4c-d08708d1a7ad" "2665f816-5c52-45ed-901e-4481cf048257" "227" "" "no results" "" "" "" "" "" "" "" "" "" "" -"228" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.49236843" "0.0423520021" "0.5974499" "328" "0.6059947" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" +"228" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP" "Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]" "1893.44385" "4.55619574" "0.492368" "0.042352" "0.597450" "328" "0.605995" "8bf796f1-f7cf-4df5-afbc-979b0d95a383" "00ce759f-d1f9-492e-89f7-b7400a34c72d" "da9d76f5-a2af-4fd1-89e1-c8426ad16980" "229" "" "no results" "" "" "" "" "" "" "" "" "" "" "230" "" "no results" "" "" "" "" "" "" "" "" "" "" -"231" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]" "1899.05493" "1.054953" "0.191139191" "0.0709223449" "0.8947368" "68" "0.878837764" "d87f501a-9d45-4244-9461-f8dd1943930e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" -"231" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.193600208" "0.0558800921" "0.887096763" "110" "0.8399839" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" -"231" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--10]" "1902.42212" "4.422119" "0.216909975" "0.06141944" "0.8869565" "102" "0.845184863" "314b38dc-9bfb-4a7f-aaaa-bd80ef4ec82d" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" -"231" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-2]" "1896.99829" "1.001709" "0.242943108" "0.08852613" "0.887096763" "55" "0.8791416" "bb9eafcc-28ff-4a63-8786-2e5e1053b337" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" +"231" "Glucose (1MEOX) (5TMS) BP" "Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]" "1899.05493" "1.054953" "0.191139" "0.070922" "0.894737" "68" "0.878838" "d87f501a-9d45-4244-9461-f8dd1943930e" "68513255-fc44-4041-bc4b-4fd2fae7541d" "0a2b3536-2245-4c0e-bdbc-495766eeec67" +"231" "Glucose, U-13C- (1MEOX) (5TMS) BP" "Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]" "1901.63" "3.63" "0.193600" "0.055880" "0.887097" "110" "0.839984" "27d4dcdd-d351-4976-8ef9-76a0cc53f631" "441faccb-2631-4e7d-b6ca-99437265ccb8" "96441b61-2891-4e81-93dc-d0fc0ad175d4" +"231" "Galactose (1MEOX) (5TMS) BP" "Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--10]" "1902.42212" "4.422119" "0.216910" "0.061419" "0.886957" "102" "0.845185" "314b38dc-9bfb-4a7f-aaaa-bd80ef4ec82d" "dd3ea070-54a6-4ea7-b99b-a6e975fdd204" "1c3ad0aa-ee78-4542-93b3-aa9fdf07add1" +"231" "Allantoin (5TMS)" "Allantoin (5TMS) [A188009-ambient-na-2]" "1896.99829" "1.001709" "0.242943" "0.088526" "0.887097" "55" "0.879142" "bb9eafcc-28ff-4a63-8786-2e5e1053b337" "a999f0d6-0285-41d9-a6ba-b705987b663c" "65bb54d2-6bf7-4a53-aa22-8abf71240005" "232" "" "no results" "" "" "" "" "" "" "" "" "" "" "233" "" "no results" "" "" "" "" "" "" "" "" "" "" "234" "" "no results" "" "" "" "" "" "" "" "" "" "" @@ -383,7 +383,7 @@ "245" "" "no results" "" "" "" "" "" "" "" "" "" "" "246" "" "no results" "" "" "" "" "" "" "" "" "" "" "247" "" "no results" "" "" "" "" "" "" "" "" "" "" -"248" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.05944854" "0.04527639" "0.7586207" "44" "0.7132295" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" +"248" "Nonadecane" "Nonadecane [A190001-ambient-n--1]" "1900" "2" "0.059449" "0.045276" "0.758621" "44" "0.713229" "44b956d8-a487-4269-baee-49e6ba5658c3" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "5dff1f48-853a-4ce2-852c-81c871ef1da6" "249" "" "no results" "" "" "" "" "" "" "" "" "" "" "250" "" "no results" "" "" "" "" "" "" "" "" "" "" "251" "" "no results" "" "" "" "" "" "" "" "" "" "" diff -r 4dc76dcbd1e7 -r 11779b6402bc test-data/output03.txt --- a/test-data/output03.txt Mon Dec 05 08:41:00 2016 -0500 +++ b/test-data/output03.txt Wed Feb 22 07:37:36 2017 -0500 @@ -1,123 +1,123 @@ Num Spectre Analyte Name Spectrum Name Retention Index RI Discrepancy DotproductDistance EuclideanDistance JaccardDistance HammingDistance s12GowerLegendreDistance Spectrum ID Metabolite ID Analyte ID -1 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5] 1895.98438 2.01558065 0.417125851 0.047484044 0.6108108 226 0.628439844 1b34c722-1fd3-4d61-a48b-da2614f96e23 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 -2 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2] 1899.05493 1.054953 0.4496568 0.07338332 0.7784431 130 0.796108663 34a5b91e-e473-4ed6-9a40-067e0cd944f9 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -2 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8] 1902.42212 4.422119 0.4884424 0.0594931729 0.75 207 0.7356502 9c570b75-fe0c-43b8-9311-7b8af17dd55b dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -3 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2] 1902.42212 4.422119 0.38635543 0.0406771079 0.8201285 383 0.7784506 0bfc9541-70d5-4d50-89c4-351a87971133 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -3 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2] 1899.05493 1.054953 0.397179246 0.06756685 0.75287354 131 0.776361 34a5b91e-e473-4ed6-9a40-067e0cd944f9 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -3 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.432195932 0.07130679 0.629411757 107 0.6740747 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -3 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10] 1901.63 3.63 0.442519277 0.050286 0.76 266 0.7361843 0d5164ce-be48-454d-979b-ed8b92e32c1d 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -3 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.444237381 0.04988712 0.717086852 256 0.6841814 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 -3 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-1] 1902.77417 4.77417 0.4479848 0.0491427779 0.7304582 271 0.6947696 7508f46a-70b0-43eb-b5b6-0421ff41c0e8 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f -3 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.452163756 0.06325701 0.6106195 138 0.63247633 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -3 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.474485427 0.0493914336 0.7429306 289 0.7034532 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 -4 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.40254572 0.05791846 0.445833325 107 0.528728 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -4 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2] 1902.42212 4.422119 0.403359115 0.0413857177 0.7048832 332 0.694246054 0bfc9541-70d5-4d50-89c4-351a87971133 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -4 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.410697162 0.06408566 0.56 112 0.6205492 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -4 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10] 1901.63 3.63 0.4170415 0.04813416 0.63055557 227 0.651003 0d5164ce-be48-454d-979b-ed8b92e32c1d 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -4 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.418162525 0.0484009 0.551820755 197 0.5749244 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 -4 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.4213545 0.06334745 0.609523833 128 0.6601182 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -4 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.423168719 0.0451050438 0.617788434 257 0.6188379 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 -4 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5] 1902.77417 4.77417 0.445822567 0.0513614975 0.5473373 185 0.578929663 7e14465a-7065-490c-9e50-e625c1c14f4d 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f -5 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20] 1899.05493 1.054953 0.354763538 0.06923945 0.6554054 97 0.6981253 8d439b60-424f-46f7-b996-c0c2114f797e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -5 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.402286351 0.0382821634 0.8251366 453 0.7650924 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -5 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17] 1902.42212 4.422119 0.411938727 0.0459032 0.7672634 300 0.728630841 1f3b3037-bb9d-45fa-9a9c-70cc299da470 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -5 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7] 1901.63 3.63 0.411938757 0.0815118 0.661290348 82 0.696781337 6c360eba-d726-44d9-a666-d0695d8448cf 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -5 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.424958557 0.0713395 0.6227545 104 0.6678984 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -5 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.484940231 0.0521224737 0.7254902 259 0.6899733 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 -5 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.488564819 0.0484651364 0.7668269 319 0.720424533 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 -6 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20] 1899.05493 1.054953 0.315586 0.05261462 0.578947365 132 0.6002723 8d439b60-424f-46f7-b996-c0c2114f797e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -6 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--1] 1902.42212 4.422119 0.31916222 0.0516799167 0.556485355 133 0.5977888 c3592e5c-0d20-406b-ac62-32bd60255caf dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -6 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.356775373 0.05557845 0.46320346 107 0.5265545 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -6 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.375095934 0.03693217 0.6 330 0.608352542 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -6 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8] 1899.495 1.49494946 0.386559725 0.05199245 0.2972028 85 0.414242685 11e07008-ff9d-4d76-9b09-590beaa90f22 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 -6 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.389454484 0.0513845235 0.386440665 114 0.4878328 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 -6 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.453840375 0.06162652 0.5690377 136 0.606397 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -6 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.468880624 0.04719599 0.484560579 204 0.5354268 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 -7 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2] 1902.42212 4.422119 0.311034173 0.0363806225 0.568085134 267 0.5993147 0bfc9541-70d5-4d50-89c4-351a87971133 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -7 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26] 1899.05493 1.054953 0.3122851 0.0344914123 0.586666644 308 0.6017828 28f50103-c931-4a74-b5d2-1a77ac420ea5 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -7 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.3334442 0.051751975 0.5742972 143 0.6182019 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -7 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.3596541 0.0359038 0.6200717 346 0.6268959 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -7 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8] 1899.495 1.49494946 0.376751959 0.04970417 0.403278679 123 0.499903738 11e07008-ff9d-4d76-9b09-590beaa90f22 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 -7 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.405417144 0.0507353619 0.4888889 154 0.5676107 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 -7 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.4187165 0.0568623953 0.6795367 176 0.700350344 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -7 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.432310849 0.0449986123 0.5058548 216 0.553538561 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +1 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5] 1895.98438 2.01558065 0.417126 0.047484 0.610811 226 0.628440 1b34c722-1fd3-4d61-a48b-da2614f96e23 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +2 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2] 1899.05493 1.054953 0.449657 0.073383 0.778443 130 0.796109 34a5b91e-e473-4ed6-9a40-067e0cd944f9 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +2 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8] 1902.42212 4.422119 0.488442 0.059493 0.750000 207 0.735650 9c570b75-fe0c-43b8-9311-7b8af17dd55b dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +3 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2] 1902.42212 4.422119 0.386355 0.040677 0.820129 383 0.778451 0bfc9541-70d5-4d50-89c4-351a87971133 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +3 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2] 1899.05493 1.054953 0.397179 0.067567 0.752874 131 0.776361 34a5b91e-e473-4ed6-9a40-067e0cd944f9 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +3 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.432196 0.071307 0.629412 107 0.674075 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +3 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10] 1901.63 3.63 0.442519 0.050286 0.760000 266 0.736184 0d5164ce-be48-454d-979b-ed8b92e32c1d 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +3 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.444237 0.049887 0.717087 256 0.684181 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 +3 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-1] 1902.77417 4.77417 0.447985 0.049143 0.730458 271 0.694770 7508f46a-70b0-43eb-b5b6-0421ff41c0e8 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f +3 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.452164 0.063257 0.610619 138 0.632476 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +3 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.474485 0.049391 0.742931 289 0.703453 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +4 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.402546 0.057918 0.445833 107 0.528728 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +4 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2] 1902.42212 4.422119 0.403359 0.041386 0.704883 332 0.694246 0bfc9541-70d5-4d50-89c4-351a87971133 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +4 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.410697 0.064086 0.560000 112 0.620549 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +4 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10] 1901.63 3.63 0.417042 0.048134 0.630556 227 0.651003 0d5164ce-be48-454d-979b-ed8b92e32c1d 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +4 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.418163 0.048401 0.551821 197 0.574924 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 +4 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.421355 0.063347 0.609524 128 0.660118 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +4 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.423169 0.045105 0.617788 257 0.618838 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +4 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5] 1902.77417 4.77417 0.445823 0.051361 0.547337 185 0.578930 7e14465a-7065-490c-9e50-e625c1c14f4d 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f +5 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20] 1899.05493 1.054953 0.354764 0.069239 0.655405 97 0.698125 8d439b60-424f-46f7-b996-c0c2114f797e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +5 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.402286 0.038282 0.825137 453 0.765092 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +5 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17] 1902.42212 4.422119 0.411939 0.045903 0.767263 300 0.728631 1f3b3037-bb9d-45fa-9a9c-70cc299da470 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +5 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7] 1901.63 3.63 0.411939 0.081512 0.661290 82 0.696781 6c360eba-d726-44d9-a666-d0695d8448cf 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +5 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.424959 0.071340 0.622754 104 0.667898 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +5 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.484940 0.052122 0.725490 259 0.689973 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 +5 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.488565 0.048465 0.766827 319 0.720425 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +6 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20] 1899.05493 1.054953 0.315586 0.052615 0.578947 132 0.600272 8d439b60-424f-46f7-b996-c0c2114f797e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +6 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--1] 1902.42212 4.422119 0.319162 0.051680 0.556485 133 0.597789 c3592e5c-0d20-406b-ac62-32bd60255caf dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +6 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.356775 0.055578 0.463203 107 0.526555 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +6 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.375096 0.036932 0.600000 330 0.608353 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +6 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8] 1899.495 1.49494946 0.386560 0.051992 0.297203 85 0.414243 11e07008-ff9d-4d76-9b09-590beaa90f22 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +6 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.389454 0.051385 0.386441 114 0.487833 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 +6 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.453840 0.061627 0.569038 136 0.606397 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +6 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.468881 0.047196 0.484561 204 0.535427 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +7 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2] 1902.42212 4.422119 0.311034 0.036381 0.568085 267 0.599315 0bfc9541-70d5-4d50-89c4-351a87971133 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +7 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26] 1899.05493 1.054953 0.312285 0.034491 0.586667 308 0.601783 28f50103-c931-4a74-b5d2-1a77ac420ea5 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +7 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.333444 0.051752 0.574297 143 0.618202 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +7 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.359654 0.035904 0.620072 346 0.626896 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +7 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8] 1899.495 1.49494946 0.376752 0.049704 0.403279 123 0.499904 11e07008-ff9d-4d76-9b09-590beaa90f22 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +7 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.405417 0.050735 0.488889 154 0.567611 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 +7 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.418716 0.056862 0.679537 176 0.700350 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +7 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.432311 0.044999 0.505855 216 0.553539 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 8 no results -9 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4] 1899.05493 1.054953 0.128620371 0.06717883 0.8596491 49 0.802279055 62f9b835-3d55-4a27-81a1-0dab814aceb0 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -9 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11] 1902.42212 4.422119 0.203193992 0.08926585 0.843137264 43 0.789225161 5cf7c784-d01f-4163-ac19-ef2429eb410b dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -10 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4] 1899.05493 1.054953 0.145974338 0.072203666 0.839285731 47 0.774020731 62f9b835-3d55-4a27-81a1-0dab814aceb0 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -10 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11] 1902.42212 4.422119 0.231892109 0.09631036 0.82 41 0.7587727 5cf7c784-d01f-4163-ac19-ef2429eb410b dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +9 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4] 1899.05493 1.054953 0.128620 0.067179 0.859649 49 0.802279 62f9b835-3d55-4a27-81a1-0dab814aceb0 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +9 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11] 1902.42212 4.422119 0.203194 0.089266 0.843137 43 0.789225 5cf7c784-d01f-4163-ac19-ef2429eb410b dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +10 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4] 1899.05493 1.054953 0.145974 0.072204 0.839286 47 0.774021 62f9b835-3d55-4a27-81a1-0dab814aceb0 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +10 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11] 1902.42212 4.422119 0.231892 0.096310 0.820000 41 0.758773 5cf7c784-d01f-4163-ac19-ef2429eb410b dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 11 no results -13 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20] 1899.05493 1.054953 0.169009715 0.0388460457 0.5535714 124 0.577645063 8d439b60-424f-46f7-b996-c0c2114f797e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -13 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17] 1902.42212 4.422119 0.173254281 0.0297313016 0.4515306 177 0.5150558 1f3b3037-bb9d-45fa-9a9c-70cc299da470 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -13 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.198374733 0.04144309 0.46320346 107 0.5265545 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -13 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.2139774 0.0279198289 0.5974499 328 0.6059947 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -13 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.295577049 0.03858825 0.46095717 183 0.5219953 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 -13 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.298371822 0.04895468 0.626506031 156 0.6550603 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -13 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.3004605 0.045287136 0.37542662 110 0.479125 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 -13 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.303167731 0.03795032 0.484560579 204 0.5354268 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +13 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20] 1899.05493 1.054953 0.169010 0.038846 0.553571 124 0.577645 8d439b60-424f-46f7-b996-c0c2114f797e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +13 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17] 1902.42212 4.422119 0.173254 0.029731 0.451531 177 0.515056 1f3b3037-bb9d-45fa-9a9c-70cc299da470 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +13 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.198375 0.041443 0.463203 107 0.526555 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +13 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.213977 0.027920 0.597450 328 0.605995 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +13 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.295577 0.038588 0.460957 183 0.521995 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +13 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.298372 0.048955 0.626506 156 0.655060 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +13 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.300461 0.045287 0.375427 110 0.479125 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 +13 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.303168 0.037950 0.484561 204 0.535427 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 14 no results 15 no results 16 no results 17 no results -18 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.209903836 0.0601583831 0.8103448 94 0.783262 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 -18 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.240307823 0.0475017 0.85915494 183 0.7903839 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -18 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6] 1902.42212 4.422119 0.266967148 0.0622020029 0.847826064 117 0.813898 6e056b61-4da9-46e3-970b-680a22e4afd0 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -18 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.268232971 0.0625764355 0.846715331 116 0.813089132 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -18 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.280021936 0.06640628 0.8267717 105 0.794855952 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -18 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.289705932 0.063654 0.867132843 124 0.835505962 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -18 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3] 1902.77417 4.77417 0.452285469 0.08009617 0.8865248 125 0.8606896 6754fc3e-ad28-4576-b723-60aa4fa0790b 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f -18 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2] 1899.495 1.49494946 0.4736493 0.0596764 0.8947368 238 0.8278728 4c89b294-311e-4e11-8af3-8e80b969109f 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 -19 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26] 1899.05493 1.054953 0.189724684 0.0268077236 0.6041667 319 0.6153477 28f50103-c931-4a74-b5d2-1a77ac420ea5 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -19 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17] 1902.42212 4.422119 0.195334315 0.031528838 0.468193382 184 0.5269175 1f3b3037-bb9d-45fa-9a9c-70cc299da470 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -19 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.205342725 0.0421646647 0.4848485 112 0.546345532 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -19 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.221429184 0.02832454 0.614130437 339 0.61901623 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -19 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.293066233 0.04851748 0.646586359 161 0.6735261 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -19 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.294312984 0.0385056473 0.473551631 188 0.530448139 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 -19 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.2977491 0.03747635 0.5070755 215 0.5523996 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 -19 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-6] 1896.99829 1.001709 0.303958982 0.04892216 0.6062992 154 0.6474817 063fa226-ed62-4d9f-9d5c-ee52c0974e55 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +18 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.209904 0.060158 0.810345 94 0.783262 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +18 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.240308 0.047502 0.859155 183 0.790384 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +18 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6] 1902.42212 4.422119 0.266967 0.062202 0.847826 117 0.813898 6e056b61-4da9-46e3-970b-680a22e4afd0 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +18 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.268233 0.062576 0.846715 116 0.813089 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +18 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.280022 0.066406 0.826772 105 0.794856 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +18 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.289706 0.063654 0.867133 124 0.835506 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +18 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3] 1902.77417 4.77417 0.452285 0.080096 0.886525 125 0.860690 6754fc3e-ad28-4576-b723-60aa4fa0790b 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f +18 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2] 1899.495 1.49494946 0.473649 0.059676 0.894737 238 0.827873 4c89b294-311e-4e11-8af3-8e80b969109f 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +19 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26] 1899.05493 1.054953 0.189725 0.026808 0.604167 319 0.615348 28f50103-c931-4a74-b5d2-1a77ac420ea5 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +19 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17] 1902.42212 4.422119 0.195334 0.031529 0.468193 184 0.526918 1f3b3037-bb9d-45fa-9a9c-70cc299da470 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +19 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.205343 0.042165 0.484849 112 0.546346 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +19 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.221429 0.028325 0.614130 339 0.619016 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +19 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.293066 0.048517 0.646586 161 0.673526 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +19 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.294313 0.038506 0.473552 188 0.530448 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +19 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.297749 0.037476 0.507076 215 0.552400 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +19 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-6] 1896.99829 1.001709 0.303959 0.048922 0.606299 154 0.647482 063fa226-ed62-4d9f-9d5c-ee52c0974e55 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 20 no results 21 no results 22 no results -23 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.31787312 0.0340916663 0.892138958 488 0.8194986 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -23 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.40171 0.07521893 0.8239437 117 0.8287425 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 -23 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5] 1902.77417 4.77417 0.4068263 0.0493567176 0.832335353 278 0.7741276 7e14465a-7065-490c-9e50-e625c1c14f4d 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f -23 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.412308335 0.0445760936 0.8578313 356 0.789270163 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 -23 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6] 1902.42212 4.422119 0.412312329 0.073175855 0.77922076 120 0.7812011 6e056b61-4da9-46e3-970b-680a22e4afd0 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -23 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.413312733 0.0737450048 0.7697368 117 0.7728186 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -23 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.424154133 0.07648792 0.7724138 112 0.7785659 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -23 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.43131122 0.07297143 0.820987642 133 0.819381952 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -23 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.437627643 0.0495146 0.8347339 298 0.7703705 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 -24 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.232288077 0.0416352376 0.5074627 136 0.5617198 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 -24 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2] 1902.42212 4.422119 0.235254377 0.03180954 0.716129 333 0.6976916 0bfc9541-70d5-4d50-89c4-351a87971133 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -24 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20] 1899.05493 1.054953 0.239975646 0.0519264452 0.606741548 108 0.65231514 8d439b60-424f-46f7-b996-c0c2114f797e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -24 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.2622103 0.0521268174 0.55440414 107 0.6185626 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -24 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8] 1899.495 1.49494946 0.2700426 0.04423608 0.510869563 141 0.560991943 11e07008-ff9d-4d76-9b09-590beaa90f22 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 -24 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.286982745 0.03230439 0.7381818 406 0.701555133 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -24 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7] 1901.63 3.63 0.3181354 0.0596203469 0.798882663 143 0.799955 6c360eba-d726-44d9-a666-d0695d8448cf 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -24 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.35163945 0.0409691334 0.6587112 276 0.648871064 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +23 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.317873 0.034092 0.892139 488 0.819499 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +23 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.401710 0.075219 0.823944 117 0.828743 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +23 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5] 1902.77417 4.77417 0.406826 0.049357 0.832335 278 0.774128 7e14465a-7065-490c-9e50-e625c1c14f4d 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f +23 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.412308 0.044576 0.857831 356 0.789270 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +23 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6] 1902.42212 4.422119 0.412312 0.073176 0.779221 120 0.781201 6e056b61-4da9-46e3-970b-680a22e4afd0 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +23 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.413313 0.073745 0.769737 117 0.772819 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +23 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.424154 0.076488 0.772414 112 0.778566 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +23 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.431311 0.072971 0.820988 133 0.819382 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +23 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.437628 0.049515 0.834734 298 0.770370 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 +24 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.232288 0.041635 0.507463 136 0.561720 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 +24 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2] 1902.42212 4.422119 0.235254 0.031810 0.716129 333 0.697692 0bfc9541-70d5-4d50-89c4-351a87971133 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +24 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20] 1899.05493 1.054953 0.239976 0.051926 0.606742 108 0.652315 8d439b60-424f-46f7-b996-c0c2114f797e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +24 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.262210 0.052127 0.554404 107 0.618563 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +24 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8] 1899.495 1.49494946 0.270043 0.044236 0.510870 141 0.560992 11e07008-ff9d-4d76-9b09-590beaa90f22 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +24 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.286983 0.032304 0.738182 406 0.701555 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +24 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7] 1901.63 3.63 0.318135 0.059620 0.798883 143 0.799955 6c360eba-d726-44d9-a666-d0695d8448cf 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +24 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.351639 0.040969 0.658711 276 0.648871 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 25 no results -26 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.19449544 0.03802713 0.583643138 157 0.614511251 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 -26 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17] 1902.42212 4.422119 0.3217005 0.0406170674 0.6871795 268 0.670606434 1f3b3037-bb9d-45fa-9a9c-70cc299da470 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -26 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-34] 1899.05493 1.054953 0.344280958 0.0430808775 0.6792453 252 0.6687114 8dee81a1-8d98-4a73-b55d-9de42f10e190 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -26 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.395884931 0.06784772 0.4883721 84 0.5683281 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -26 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.427320033 0.04681223 0.6769231 264 0.659248 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 -26 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.427679241 0.06071977 0.5301724 123 0.5829808 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -26 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.465603054 0.07114003 0.6576087 121 0.69967103 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -26 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-3] 1896.99829 1.001709 0.465666384 0.0664371848 0.592417061 125 0.644419968 8216bdb2-7a7d-440c-95eb-7e63f8e8c502 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +26 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.194495 0.038027 0.583643 157 0.614511 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 +26 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17] 1902.42212 4.422119 0.321701 0.040617 0.687180 268 0.670606 1f3b3037-bb9d-45fa-9a9c-70cc299da470 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +26 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-34] 1899.05493 1.054953 0.344281 0.043081 0.679245 252 0.668711 8dee81a1-8d98-4a73-b55d-9de42f10e190 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +26 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.395885 0.067848 0.488372 84 0.568328 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +26 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.427320 0.046812 0.676923 264 0.659248 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +26 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.427679 0.060720 0.530172 123 0.582981 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +26 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.465603 0.071140 0.657609 121 0.699671 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +26 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-3] 1896.99829 1.001709 0.465666 0.066437 0.592417 125 0.644420 8216bdb2-7a7d-440c-95eb-7e63f8e8c502 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 27 no results 28 no results -29 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-13] 1899.05493 1.054953 0.09931051 0.03675817 0.8707483 128 0.838178635 3077498f-10ce-4b5c-ba6a-9b6f439e8248 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -29 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7] 1902.42212 4.422119 0.421677 0.06322134 0.890995264 188 0.8402361 39e48209-b3a4-41cf-b83d-78d92a054d12 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -30 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2] 1899.05493 1.054953 0.2612175 0.05961526 0.877551 129 0.8724958 34a5b91e-e473-4ed6-9a40-067e0cd944f9 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -30 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2] 1902.42212 4.422119 0.308447272 0.0369433463 0.8960177 405 0.826731861 0bfc9541-70d5-4d50-89c4-351a87971133 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -30 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7] 1901.63 3.63 0.31029287 0.07687874 0.8857143 93 0.8900069 6c360eba-d726-44d9-a666-d0695d8448cf 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -30 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.328630984 0.0649093 0.8397436 131 0.8301488 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -30 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.3761082 0.0575649925 0.845815 192 0.810805559 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -30 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.3884204 0.04664788 0.8627451 308 0.7934234 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 -30 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-4] 1896.99829 1.001709 0.3937276 0.0530314967 0.85 238 0.7980373 d943c34e-3a28-43a2-9cbc-a05ab6a7a506 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 -30 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.412831277 0.04613021 0.873711348 339 0.8028878 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +29 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-13] 1899.05493 1.054953 0.099311 0.036758 0.870748 128 0.838179 3077498f-10ce-4b5c-ba6a-9b6f439e8248 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +29 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7] 1902.42212 4.422119 0.421677 0.063221 0.890995 188 0.840236 39e48209-b3a4-41cf-b83d-78d92a054d12 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +30 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2] 1899.05493 1.054953 0.261217 0.059615 0.877551 129 0.872496 34a5b91e-e473-4ed6-9a40-067e0cd944f9 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +30 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2] 1902.42212 4.422119 0.308447 0.036943 0.896018 405 0.826732 0bfc9541-70d5-4d50-89c4-351a87971133 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +30 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7] 1901.63 3.63 0.310293 0.076879 0.885714 93 0.890007 6c360eba-d726-44d9-a666-d0695d8448cf 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +30 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.328631 0.064909 0.839744 131 0.830149 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +30 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.376108 0.057565 0.845815 192 0.810806 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +30 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.388420 0.046648 0.862745 308 0.793423 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 +30 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-4] 1896.99829 1.001709 0.393728 0.053031 0.850000 238 0.798037 d943c34e-3a28-43a2-9cbc-a05ab6a7a506 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +30 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.412831 0.046130 0.873711 339 0.802888 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 31 no results -32 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.285083026 0.0468289033 0.8923077 232 0.838121355 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 +32 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.285083 0.046829 0.892308 232 0.838121 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 33 no results 34 no results 35 no results @@ -125,61 +125,61 @@ 37 no results 38 no results 39 no results -40 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6] 1902.42212 4.422119 0.277911574 0.06256395 0.732394338 104 0.729044855 6e056b61-4da9-46e3-970b-680a22e4afd0 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -40 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.278482944 0.06262823 0.7394366 105 0.736245036 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -40 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.280440927 0.0621944554 0.737931 107 0.732707858 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -40 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.2874546 0.0645446256 0.768115938 106 0.7676177 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -40 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.2895849 0.06674693 0.77692306 101 0.7805435 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 -40 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.2977326 0.0378339365 0.8798077 366 0.810132563 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 -40 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.297866017 0.0522753857 0.788990855 172 0.7474291 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -40 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.3113892 0.0400636867 0.8685567 337 0.798404 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 -40 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.3266352 0.042777203 0.857142866 306 0.7886923 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 -41 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2] 1899.05493 1.054953 0.274106264 0.0659613 0.880952358 111 0.8493862 34a5b91e-e473-4ed6-9a40-067e0cd944f9 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -41 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--4] 1902.42212 4.422119 0.3795422 0.0640559047 0.8972973 166 0.846152842 aa553c8b-f188-48eb-ae82-5d7769781ff3 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -41 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7] 1901.63 3.63 0.388783872 0.09984397 0.8076923 63 0.7976193 6c360eba-d726-44d9-a666-d0695d8448cf 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -41 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.411971271 0.07755114 0.8540146 117 0.807369 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +40 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6] 1902.42212 4.422119 0.277912 0.062564 0.732394 104 0.729045 6e056b61-4da9-46e3-970b-680a22e4afd0 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +40 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.278483 0.062628 0.739437 105 0.736245 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +40 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.280441 0.062194 0.737931 107 0.732708 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +40 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.287455 0.064545 0.768116 106 0.767618 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +40 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.289585 0.066747 0.776923 101 0.780543 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +40 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.297733 0.037834 0.879808 366 0.810133 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +40 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.297866 0.052275 0.788991 172 0.747429 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +40 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.311389 0.040064 0.868557 337 0.798404 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +40 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.326635 0.042777 0.857143 306 0.788692 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 +41 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2] 1899.05493 1.054953 0.274106 0.065961 0.880952 111 0.849386 34a5b91e-e473-4ed6-9a40-067e0cd944f9 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +41 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--4] 1902.42212 4.422119 0.379542 0.064056 0.897297 166 0.846153 aa553c8b-f188-48eb-ae82-5d7769781ff3 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +41 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7] 1901.63 3.63 0.388784 0.099844 0.807692 63 0.797619 6c360eba-d726-44d9-a666-d0695d8448cf 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +41 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.411971 0.077551 0.854015 117 0.807369 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a 42 no results 43 no results -44 Hexadecenoic acid methyl ester, 9-(Z)-, n- Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--1] 1897.67859 0.321411133 0.496792018 0.0564319454 0.8076923 252 0.7531352 1ac5af55-f8bc-49fd-9808-23a0722c0288 75683e89-302c-4280-a15e-e1187cd75ceb 75683e89-302c-4280-a15e-e1187cd75ceb -45 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.240036309 0.0654703155 0.8660714 97 0.817842841 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 -45 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6] 1902.42212 4.422119 0.295640856 0.06642703 0.8955224 120 0.846885443 6e056b61-4da9-46e3-970b-680a22e4afd0 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -45 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.2960842 0.06672626 0.8947368 119 0.8462343 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -45 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.30949235 0.07036958 0.896 112 0.8524104 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -45 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.321015328 0.0684569553 0.8978102 123 0.8487915 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +44 Hexadecenoic acid methyl ester, 9-(Z)-, n- Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--1] 1897.67859 0.321411133 0.496792 0.056432 0.807692 252 0.753135 1ac5af55-f8bc-49fd-9808-23a0722c0288 75683e89-302c-4280-a15e-e1187cd75ceb 75683e89-302c-4280-a15e-e1187cd75ceb +45 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.240036 0.065470 0.866071 97 0.817843 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +45 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6] 1902.42212 4.422119 0.295641 0.066427 0.895522 120 0.846885 6e056b61-4da9-46e3-970b-680a22e4afd0 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +45 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12] 1899.05493 1.054953 0.296084 0.066726 0.894737 119 0.846234 833ab58c-a8fa-4389-8b42-95e618cafb91 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +45 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.309492 0.070370 0.896000 112 0.852410 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +45 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.321015 0.068457 0.897810 123 0.848792 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a 46 no results 47 no results 48 no results -49 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.339354962 0.06794906 0.789115667 116 0.7937466 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -49 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9] 1902.77417 4.77417 0.3519312 0.0481179468 0.858552635 261 0.8186131 8bbd7202-8794-4486-8b16-61d8dff4c5bd 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f -49 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-1] 1899.05493 1.054953 0.359753639 0.040576715 0.8741419 382 0.809872568 e62d396e-0d3a-4414-88f0-021d5142f09b 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -49 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.360862046 0.04160232 0.8633093 360 0.797326 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 -49 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9] 1902.42212 4.422119 0.369685978 0.0597649142 0.845410645 175 0.8303501 c1226b8e-944e-4d32-ae01-8a9d12465d34 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -49 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.373405039 0.0552105457 0.8897959 218 0.871291757 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -49 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.381997973 0.04606746 0.844444454 304 0.7836719 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 -49 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.41416198 0.0457932577 0.86835444 343 0.810132265 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 -49 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-4] 1896.99829 1.001709 0.456007272 0.0551366322 0.8933333 268 0.8647887 d943c34e-3a28-43a2-9cbc-a05ab6a7a506 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +49 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.339355 0.067949 0.789116 116 0.793747 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +49 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9] 1902.77417 4.77417 0.351931 0.048118 0.858553 261 0.818613 8bbd7202-8794-4486-8b16-61d8dff4c5bd 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f +49 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-1] 1899.05493 1.054953 0.359754 0.040577 0.874142 382 0.809873 e62d396e-0d3a-4414-88f0-021d5142f09b 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +49 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.360862 0.041602 0.863309 360 0.797326 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +49 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9] 1902.42212 4.422119 0.369686 0.059765 0.845411 175 0.830350 c1226b8e-944e-4d32-ae01-8a9d12465d34 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +49 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.373405 0.055211 0.889796 218 0.871292 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +49 Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2] 1897.83862 0.161383286 0.381998 0.046067 0.844444 304 0.783672 c1d0193b-0442-41fe-aab0-fc2438624170 151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff 471f9ab0-1cf5-40d3-ba88-edc2458d3242 +49 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3] 1899.495 1.49494946 0.414162 0.045793 0.868354 343 0.810132 754097ce-c7df-40cb-bec1-ba8b0fad83f8 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +49 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-4] 1896.99829 1.001709 0.456007 0.055137 0.893333 268 0.864789 d943c34e-3a28-43a2-9cbc-a05ab6a7a506 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 50 no results -51 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.123899154 0.04382828 0.8914729 115 0.859087646 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -51 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3] 1902.77417 4.77417 0.335227549 0.0710001141 0.864661634 115 0.820953369 6754fc3e-ad28-4576-b723-60aa4fa0790b 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f +51 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.123899 0.043828 0.891473 115 0.859088 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +51 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3] 1902.77417 4.77417 0.335228 0.071000 0.864662 115 0.820953 6754fc3e-ad28-4576-b723-60aa4fa0790b 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f 52 no results 53 no results 54 no results 55 no results 56 no results -57 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.3086605 0.0472080037 0.8050541 223 0.7846002 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 -57 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2] 1899.05493 1.054953 0.432055831 0.0723674 0.8242424 136 0.8337416 34a5b91e-e473-4ed6-9a40-067e0cd944f9 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -57 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8] 1902.42212 4.422119 0.440757215 0.0556150451 0.8245614 235 0.8042714 9c570b75-fe0c-43b8-9311-7b8af17dd55b dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -57 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8] 1899.495 1.49494946 0.482367963 0.0575781539 0.824742258 240 0.802868068 11e07008-ff9d-4d76-9b09-590beaa90f22 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 -57 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.494594038 0.07413156 0.8333333 150 0.839251935 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +57 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.308661 0.047208 0.805054 223 0.784600 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 +57 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2] 1899.05493 1.054953 0.432056 0.072367 0.824242 136 0.833742 34a5b91e-e473-4ed6-9a40-067e0cd944f9 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +57 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8] 1902.42212 4.422119 0.440757 0.055615 0.824561 235 0.804271 9c570b75-fe0c-43b8-9311-7b8af17dd55b dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +57 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8] 1899.495 1.49494946 0.482368 0.057578 0.824742 240 0.802868 11e07008-ff9d-4d76-9b09-590beaa90f22 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +57 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.494594 0.074132 0.833333 150 0.839252 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a 58 no results 59 no results -60 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18] 1899.05493 1.054953 0.17318368 0.06273749 0.852272749 75 0.8504949 3468acbd-3fed-489b-b93d-b3c9beab9f82 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -60 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7] 1901.63 3.63 0.175843075 0.0643232837 0.8235294 70 0.8236748 6c360eba-d726-44d9-a666-d0695d8448cf 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -60 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.185437113 0.05092667 0.853146851 122 0.8227301 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -60 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9] 1902.42212 4.422119 0.185893178 0.0448291861 0.854054034 158 0.802647948 c1226b8e-944e-4d32-ae01-8a9d12465d34 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -60 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.2467115 0.0623315349 0.8976378 114 0.88253355 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 -60 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9] 1902.77417 4.77417 0.2950538 0.04510935 0.8965517 260 0.8291562 8bbd7202-8794-4486-8b16-61d8dff4c5bd 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f -60 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2] 1899.495 1.49494946 0.365909427 0.052255787 0.8955224 240 0.833884954 4c89b294-311e-4e11-8af3-8e80b969109f 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +60 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18] 1899.05493 1.054953 0.173184 0.062737 0.852273 75 0.850495 3468acbd-3fed-489b-b93d-b3c9beab9f82 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +60 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7] 1901.63 3.63 0.175843 0.064323 0.823529 70 0.823675 6c360eba-d726-44d9-a666-d0695d8448cf 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +60 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.185437 0.050927 0.853147 122 0.822730 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +60 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9] 1902.42212 4.422119 0.185893 0.044829 0.854054 158 0.802648 c1226b8e-944e-4d32-ae01-8a9d12465d34 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +60 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-5] 1896.99829 1.001709 0.246712 0.062332 0.897638 114 0.882534 817f2a03-9df5-46e3-973c-b2a9675109cf a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +60 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9] 1902.77417 4.77417 0.295054 0.045109 0.896552 260 0.829156 8bbd7202-8794-4486-8b16-61d8dff4c5bd 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f +60 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2] 1899.495 1.49494946 0.365909 0.052256 0.895522 240 0.833885 4c89b294-311e-4e11-8af3-8e80b969109f 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 61 no results 62 no results 63 no results @@ -195,8 +195,8 @@ 73 no results 74 no results 75 no results -76 Hexadecenoic acid methyl ester, 9-(Z)-, n- Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--3] 1897.67859 0.321411133 0.4841707 0.070833 0.834196866 161 0.787648559 2e42e393-8070-47b8-a933-d3c41043d785 75683e89-302c-4280-a15e-e1187cd75ceb 75683e89-302c-4280-a15e-e1187cd75ceb -77 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18] 1899.05493 1.054953 0.2844056 0.07994458 0.8876405 79 0.883293 3468acbd-3fed-489b-b93d-b3c9beab9f82 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +76 Hexadecenoic acid methyl ester, 9-(Z)-, n- Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--3] 1897.67859 0.321411133 0.484171 0.070833 0.834197 161 0.787649 2e42e393-8070-47b8-a933-d3c41043d785 75683e89-302c-4280-a15e-e1187cd75ceb 75683e89-302c-4280-a15e-e1187cd75ceb +77 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18] 1899.05493 1.054953 0.284406 0.079945 0.887641 79 0.883293 3468acbd-3fed-489b-b93d-b3c9beab9f82 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 78 no results 79 no results 80 no results @@ -215,7 +215,7 @@ 93 no results 94 no results 95 no results -96 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.08678086 0.0508967042 0.477611929 32 0.5542277 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +96 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.086781 0.050897 0.477612 32 0.554228 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 97 no results 98 no results 99 no results @@ -225,13 +225,13 @@ 103 no results 104 no results 105 no results -106 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.08444913 0.0502082668 0.477611929 32 0.5542277 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 -107 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.09447143 0.0523287952 0.5072464 35 0.5783457 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +106 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.084449 0.050208 0.477612 32 0.554228 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +107 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.094471 0.052329 0.507246 35 0.578346 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 108 no results 109 no results 110 no results 111 no results -112 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.0940891653 0.0529965349 0.522388041 35 0.5863345 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +112 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.094089 0.052997 0.522388 35 0.586334 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 113 no results 114 no results 115 no results @@ -239,13 +239,13 @@ 117 no results 118 no results 119 no results -120 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.092078425 0.05282288 0.545454562 36 0.6008149 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +120 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.092078 0.052823 0.545455 36 0.600815 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 121 no results 122 no results 123 no results -124 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.07481606 0.05036009 0.5423729 32 0.5744617 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +124 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.074816 0.050360 0.542373 32 0.574462 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 125 no results -126 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.09435291 0.05307076 0.5671642 38 0.6182873 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +126 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.094353 0.053071 0.567164 38 0.618287 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 127 no results 128 no results 129 no results @@ -255,20 +255,20 @@ 133 no results 134 no results 135 no results -136 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.07581174 0.050269857 0.6 36 0.618036032 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +136 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.075812 0.050270 0.600000 36 0.618036 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 137 no results 138 no results 139 no results 140 no results 141 no results -142 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.0759908259 0.0507539362 0.6101695 36 0.6193023 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +142 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.075991 0.050754 0.610170 36 0.619302 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 143 no results 144 no results 145 no results 146 no results 147 no results 148 no results -149 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.06280607 0.0465373769 0.827586234 48 0.7647042 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +149 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.062806 0.046537 0.827586 48 0.764704 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 150 no results 151 no results 152 no results @@ -288,9 +288,9 @@ 166 no results 167 no results 168 no results -169 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.110666931 0.0607363 0.9 54 0.8493862 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +169 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.110667 0.060736 0.900000 54 0.849386 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 170 no results -171 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.126968026 0.06616803 0.8965517 52 0.8236299 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +171 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.126968 0.066168 0.896552 52 0.823630 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 172 no results 173 no results 174 no results @@ -334,13 +334,13 @@ 212 no results 213 no results 214 no results -215 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24] 1899.05493 1.054953 0.111725941 0.04333297 0.689075649 82 0.72035563 d87f501a-9d45-4244-9461-f8dd1943930e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -215 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--3] 1902.42212 4.422119 0.121540077 0.0373766236 0.6436782 112 0.678422451 5a6e8d9a-926f-4589-a67c-46ff9b93f7ca dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -215 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.12473502 0.03924205 0.6234568 101 0.6659031 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -215 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.1716096 0.0389701054 0.654867232 148 0.663134336 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -215 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-6] 1896.99829 1.001709 0.201827526 0.04762064 0.7247191 129 0.7480244 063fa226-ed62-4d9f-9d5c-ee52c0974e55 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 -215 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.203410134 0.0493563563 0.742514968 124 0.76602006 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -215 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.21932818 0.0323174857 0.7952381 334 0.7466316 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +215 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24] 1899.05493 1.054953 0.111726 0.043333 0.689076 82 0.720356 d87f501a-9d45-4244-9461-f8dd1943930e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +215 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--3] 1902.42212 4.422119 0.121540 0.037377 0.643678 112 0.678422 5a6e8d9a-926f-4589-a67c-46ff9b93f7ca dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +215 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.124735 0.039242 0.623457 101 0.665903 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +215 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.171610 0.038970 0.654867 148 0.663134 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +215 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-6] 1896.99829 1.001709 0.201828 0.047621 0.724719 129 0.748024 063fa226-ed62-4d9f-9d5c-ee52c0974e55 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +215 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.203410 0.049356 0.742515 124 0.766020 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +215 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.219328 0.032317 0.795238 334 0.746632 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 216 no results 217 no results 218 no results @@ -351,22 +351,22 @@ 223 no results 224 no results 225 no results -226 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20] 1899.05493 1.054953 0.186731711 0.04020852 0.5974026 138 0.6166982 8d439b60-424f-46f7-b996-c0c2114f797e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -226 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7] 1902.42212 4.422119 0.232166454 0.0416243374 0.4067164 109 0.504510641 39e48209-b3a4-41cf-b83d-78d92a054d12 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -226 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-2] 1897.25439 0.745605469 0.2555795 0.04512749 0.334661365 84 0.446271449 c1f0e928-1960-4643-b93b-81a20351ccd9 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a -226 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.29649204 0.0328352377 0.6 330 0.608352542 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 -226 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.363172352 0.0492873862 0.408026755 122 0.504798055 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 -226 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8] 1899.495 1.49494946 0.400953531 0.05295159 0.2972028 85 0.414242685 11e07008-ff9d-4d76-9b09-590beaa90f22 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 -226 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7] 1901.63 3.63 0.453271121 0.0621097945 0.7617021 179 0.738404453 6c360eba-d726-44d9-a666-d0695d8448cf 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -226 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5] 1895.98438 2.01558065 0.483825535 0.0507976674 0.461333334 173 0.5301436 1b34c722-1fd3-4d61-a48b-da2614f96e23 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 +226 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20] 1899.05493 1.054953 0.186732 0.040209 0.597403 138 0.616698 8d439b60-424f-46f7-b996-c0c2114f797e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +226 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7] 1902.42212 4.422119 0.232166 0.041624 0.406716 109 0.504511 39e48209-b3a4-41cf-b83d-78d92a054d12 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +226 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-2] 1897.25439 0.745605469 0.255580 0.045127 0.334661 84 0.446271 c1f0e928-1960-4643-b93b-81a20351ccd9 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a +226 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.296492 0.032835 0.600000 330 0.608353 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +226 Galactose_3_5TMS Galactose_3_5TMS [A190022-ambient-na-1] 1896.3114 1.68858171 0.363172 0.049287 0.408027 122 0.504798 ef78eeb1-ec7f-453d-90bd-cd1bf3b04153 f01236e3-4d1e-493a-bd99-3aca2801f86e 17441428-6e9c-4caf-84d5-561b494df795 +226 Glucose, 2-amino-2-deoxy- (5TMS) MP Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8] 1899.495 1.49494946 0.400954 0.052952 0.297203 85 0.414243 11e07008-ff9d-4d76-9b09-590beaa90f22 2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6 539fe164-0ea9-4509-bf37-fc9bc8073646 +226 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7] 1901.63 3.63 0.453271 0.062110 0.761702 179 0.738404 6c360eba-d726-44d9-a666-d0695d8448cf 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +226 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5] 1895.98438 2.01558065 0.483826 0.050798 0.461333 173 0.530144 1b34c722-1fd3-4d61-a48b-da2614f96e23 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 227 no results -228 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.49236843 0.0423520021 0.5974499 328 0.6059947 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 +228 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2] 1893.44385 4.55619574 0.492368 0.042352 0.597450 328 0.605995 8bf796f1-f7cf-4df5-afbc-979b0d95a383 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 229 no results 230 no results -231 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24] 1899.05493 1.054953 0.191139191 0.0709223449 0.8947368 68 0.878837764 d87f501a-9d45-4244-9461-f8dd1943930e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 -231 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.193600208 0.0558800921 0.887096763 110 0.8399839 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 -231 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--10] 1902.42212 4.422119 0.216909975 0.06141944 0.8869565 102 0.845184863 314b38dc-9bfb-4a7f-aaaa-bd80ef4ec82d dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 -231 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-2] 1896.99829 1.001709 0.242943108 0.08852613 0.887096763 55 0.8791416 bb9eafcc-28ff-4a63-8786-2e5e1053b337 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 +231 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24] 1899.05493 1.054953 0.191139 0.070922 0.894737 68 0.878838 d87f501a-9d45-4244-9461-f8dd1943930e 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 +231 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.193600 0.055880 0.887097 110 0.839984 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 +231 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--10] 1902.42212 4.422119 0.216910 0.061419 0.886957 102 0.845185 314b38dc-9bfb-4a7f-aaaa-bd80ef4ec82d dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 +231 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-2] 1896.99829 1.001709 0.242943 0.088526 0.887097 55 0.879142 bb9eafcc-28ff-4a63-8786-2e5e1053b337 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 232 no results 233 no results 234 no results @@ -383,7 +383,7 @@ 245 no results 246 no results 247 no results -248 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.05944854 0.04527639 0.7586207 44 0.7132295 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 +248 Nonadecane Nonadecane [A190001-ambient-n--1] 1900 2 0.059449 0.045276 0.758621 44 0.713229 44b956d8-a487-4269-baee-49e6ba5658c3 5dff1f48-853a-4ce2-852c-81c871ef1da6 5dff1f48-853a-4ce2-852c-81c871ef1da6 249 no results 250 no results 251 no results