Mercurial > repos > marie-tremblay-metatoul > 2dnmrannotation
view test-data/duplicateJres.tabular @ 2:dff7bde22102 draft
"planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit b3abcb650e9b38458aa0ac5f7d838811d982ff65"
| author | workflow4metabolomics |
|---|---|
| date | Tue, 04 Feb 2020 10:59:26 -0500 |
| parents | |
| children |
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ppm1 ppm2 commonMetabolitesList 2.452 0 4_hydroxyphenylpropionic_acid carnitine Desaminotyrosine glutamine 2.452 -0.013 4_hydroxyphenylpropionic_acid carnitine Desaminotyrosine glutamine 2.452 0.013 4_hydroxyphenylpropionic_acid carnitine Desaminotyrosine 2.818 -0.013 4_hydroxyphenylpropionic_acid Aspartic_acid Desaminotyrosine 2.818 0.013 4_hydroxyphenylpropionic_acid Aspartic_acid Desaminotyrosine 3.791 -0.006 alanine glycerol raffinose stachyose 3.791 -0.018 alanine glycerol maltose raffinose stachyose 3.791 0.006 alanine glycerol raffinose stachyose 3.791 0.018 alanine glycerol raffinose stachyose 3.655 -0.013 arabinose galactose glycerol maltose ribose 3.655 0.013 arabinose galactose glycerol ribose 3.671 -0.005 arabinose mannose ribose 3.824 -0.011 arabinose ribose stachyose 3.824 0.005 arabinose mannose ribose stachyose 3.824 -0.005 arabinose mannose ribose stachyose 3.824 0.011 arabinose Ethanolamine ribose stachyose 3.905 -0.012 arabinose Aspartic_acid glucose mannose raffinose ribose stachyose 3.905 -0.009 arabinose Aspartic_acid glucose mannose raffinose ribose stachyose sucrose 3.905 0.009 arabinose Aspartic_acid glucose mannose raffinose ribose stachyose sucrose 4.013 0.004 arabinose asparagine Histidine ribose 5.248 -0.002 arabinose glucose maltose 5.248 0.003 arabinose glucose maltose 4.014 -0.01 asparagine Histidine 4.014 0.01 asparagine Histidine 4.014 -0.002 asparagine Histidine raffinose ribose 4.014 0.002 asparagine arabinose Histidine raffinose 2.817 -0.011 Aspartic_acid 4_hydroxyphenylpropionic_acid Desaminotyrosine 2.817 0.011 Aspartic_acid 4_hydroxyphenylpropionic_acid Desaminotyrosine 3.906 -0.01 Aspartic_acid arabinose glucose mannose raffinose stachyose 3.906 0.01 Aspartic_acid arabinose glucose mannose raffinose stachyose 3.906 -0.004 Aspartic_acid raffinose stachyose 3.906 0.004 Aspartic_acid raffinose stachyose 3.273 0 betaine taurine 3.908 0 betaine cholic_acid raffinose stachyose 0.898 -0.012 Butyric acid 2_hydroxybutyric_acid 3_methyl-2-oxovaleric acid valeric_acid 0.902 0 Butyric acid 2_hydroxybutyric_acid 3_methyl-2-oxovaleric acid valeric_acid 0.907 0.013 Butyric acid 2_hydroxybutyric_acid 3_methyl-2-oxovaleric acid 1.57 0.019 Butyric acid cholic_acid 1.57 -0.018 Butyric acid cholic_acid 2.17 0.013 Butyric acid octanoic_acid 2.17 -0.012 Butyric acid octanoic_acid 1.73 -0.026 Cadaverine Lysine 1.729 0 Cadaverine Lysine 1.729 0.013 Cadaverine Lysine 1.731 -0.013 Cadaverine Lysine 3.022 0.012 Cadaverine 5aminovalericacid gaba 3.022 -0.012 Cadaverine 5aminovalericacid gaba 3.024 0 Cadaverine 5aminovalericacid gaba Lysine 2.446 0.013 carnitine 4_hydroxyphenylpropionic_acid Desaminotyrosine 2.446 -0.013 carnitine 4_hydroxyphenylpropionic_acid Desaminotyrosine 2.445 0.027 carnitine glutamine 2.445 0 carnitine 4_hydroxyphenylpropionic_acid Desaminotyrosine 3.234 0 carnitine gpc 3.422 0.015 carnitine glucose 3.422 -0.015 carnitine glucose 3.434 0 carnitine maltose rahmnose taurine 3.422 -0.009 carnitine Proline taurine 3.529 0.008 CholineChloride ribose 3.529 -0.008 CholineChloride ribose 4.069 0 CholineChloride cholic_acid myo_inositol raffinose stachyose sucrose tryptophan 4.069 0.009 CholineChloride tryptophan 3.937 0 creatine mannose ribose 2.454 -0.013 Desaminotyrosine 4_hydroxyphenylpropionic_acid carnitine glutamine 2.454 0.013 Desaminotyrosine 4_hydroxyphenylpropionic_acid carnitine 2.822 -0.013 Desaminotyrosine 4_hydroxyphenylpropionic_acid Aspartic_acid 2.822 0.012 Desaminotyrosine 4_hydroxyphenylpropionic_acid Aspartic_acid 3.741 0 Dimethylglycine galactose 3.5 -0.002 galactose cholic_acid glucose 3.498 0.015 galactose glucose 3.658 -0.011 galactose arabinose glycerol 3.658 -0.005 galactose Ethanol glycerol ribose stachyose 3.658 0.005 galactose Ethanol glycerol ribose stachyose 3.658 0.011 galactose arabinose 3.723 -0.016 galactose glucose 3.723 0.016 galactose glucose 3.723 -0.004 galactose glucose 3.723 0.004 galactose glucose 3.736 0 galactose Dimethylglycine 3.76 -0.002 galactose Lysine phenylacetylglycine 3.762 0.008 galactose glucose Lysine maltose raffinose ribose 3.763 -0.009 galactose glutamic acid Lysine raffinose ribose 3.812 -0.012 galactose maltose rahmnose ribose 3.812 0.005 galactose maltose rahmnose sucrose 3.812 -0.006 galactose maltose rahmnose ribose sucrose 3.812 0.012 galactose maltose rahmnose ribose 3.863 -0.012 galactose maltose mannose Methionine rahmnose stachyose 3.863 -0.006 galactose Ethanolamine maltose mannose Serine stachyose 3.863 0.006 galactose maltose mannose ribose Serine stachyose 3.863 0.012 galactose maltose mannose Methionine rahmnose stachyose 3.255 0 glucose arginine 3.422 0.016 glucose carnitine 3.422 -0.016 glucose carnitine 3.422 0 glucose Proline taurine 3.475 0 glucose sucrose 3.475 0.015 glucose sucrose 3.502 -0.015 glucose galactose 3.502 0 glucose cholic_acid galactose 3.502 0.015 glucose galactose 3.545 0.011 glucose myo_inositol 3.545 -0.005 glucose myo_inositol ribose 3.545 0.005 glucose myo_inositol ribose 3.545 -0.012 glucose myo_inositol 3.731 -0.015 glucose galactose stachyose 3.721 -0.016 glucose galactose 3.732 0.015 glucose galactose mannose stachyose 3.721 0.016 glucose galactose 3.732 -0.006 glucose galactose mannose stachyose 3.732 0.005 glucose galactose mannose stachyose 3.843 0.009 glucose inosine raffinose sucrose 3.839 0.011 glucose raffinose ribose 3.844 -0.01 glucose Ethanolamine raffinose sucrose 3.839 -0.011 glucose raffinose ribose 3.901 -0.012 glucose arabinose Aspartic_acid mannose raffinose ribose stachyose 3.901 -0.009 glucose arabinose Aspartic_acid mannose raffinose ribose stachyose sucrose 3.901 0.008 glucose arabinose Aspartic_acid mannose raffinose ribose sucrose 3.902 0.012 glucose arabinose Aspartic_acid mannose raffinose ribose stachyose 5.243 -0.003 glucose arabinose maltose 5.243 0.003 glucose arabinose maltose 3.656 -0.013 glycerol arabinose galactose maltose ribose 3.656 -0.006 glycerol arabinose Ethanol galactose ribose stachyose 3.656 0.006 glycerol Ethanol galactose ribose stachyose 3.791 -0.011 glycerol arginine glutamine ornithine 3.791 0 glycerol arginine glutamine maltose ornithine 3.791 0.01 glycerol arginine glutamic acid glutamine ornithine 3.791 -0.007 glycerol alanine 3.791 0.007 glycerol alanine 3.969 0 hippuric_acid maltose raffinose 4.015 -0.011 Histidine asparagine 4.015 0.01 Histidine asparagine 4.015 -0.002 Histidine asparagine raffinose ribose 4.015 0.002 Histidine arabinose asparagine raffinose 7.21 0.013 indoxylsulfate tryptophan 7.21 -0.013 indoxylsulfate tryptophan 7.21 0 indoxylsulfate indole_3_propionic_acid tryptophan 7.283 -0.013 indoxylsulfate tryptophan 7.283 0.013 indoxylsulfate tryptophan 7.283 0 indoxylsulfate tryptophan 3.687 -0.004 Isoleucine raffinose ribose 3.683 0.003 Isoleucine raffinose sucrose 1.333 0.006 Lactic acid threonine 1.333 -0.006 Lactic acid threonine 4.117 -0.006 Lactic acid ribose 4.117 0.006 Lactic acid ribose 3.741 -0.005 mannose galactose glucose raffinose stachyose 3.741 -0.015 mannose galactose raffinose stachyose 3.741 0.005 mannose galactose glucose raffinose stachyose 3.823 0.004 mannose arabinose maltose ribose stachyose 3.823 -0.004 mannose arabinose maltose ribose stachyose 3.856 -0.011 mannose galactose maltose raffinose ribose stachyose 3.856 -0.005 mannose galactose hydroxyisovaleric inosine ribose stachyose 3.856 0.005 mannose galactose hydroxyisovaleric inosine ribose stachyose 3.856 0.011 mannose galactose maltose raffinose ribose stachyose sucrose 3.91 -0.012 mannose arabinose Aspartic_acid glucose maltose raffinose stachyose 3.91 0.009 mannose arabinose Aspartic_acid glucose maltose raffinose stachyose 3.91 0.012 mannose arabinose Aspartic_acid glucose maltose raffinose stachyose 3.943 0 mannose arabinose creatine ribose 3.956 0 mannose arabinose raffinose 3.544 0.011 myo_inositol glucose 3.544 -0.006 myo_inositol glucose ribose 3.544 0.006 myo_inositol glucose ribose 3.544 -0.011 myo_inositol glucose 4.073 0 myo_inositol cholic_acid CholineChloride raffinose stachyose 2.012 -0.021 Proline hydroxyisovaleric 2.011 -0.01 Proline hydroxyisovaleric 2.012 0.01 Proline hydroxyisovaleric 2.012 0.021 Proline hydroxyisovaleric 3.423 0.001 Proline glucose taurine 3.423 -0.009 Proline carnitine taurine 3.423 0.01 Proline carnitine taurine 4.141 0.013 Proline stachyose 4.141 -0.013 Proline ribose stachyose 4.14 -0.002 Proline ribose 4.142 0.002 Proline ribose stachyose 3.275 0 taurine betaine 3.43 0 taurine carnitine glucose maltose Proline 1.34 0.005 threonine Lactic acid 1.339 -0.006 threonine Lactic acid 3.603 0.004 threonine maltose rahmnose 3.604 -0.005 threonine rahmnose 4.063 -0.002 tryptophan cholic_acid CholineChloride raffinose stachyose sucrose 7.204 0.012 tryptophan indoxylsulfate 7.204 -0.012 tryptophan indoxylsulfate 7.204 0 tryptophan indoxylsulfate 7.288 -0.012 tryptophan indoxylsulfate 7.288 0.013 tryptophan indoxylsulfate 7.288 0 tryptophan indoxylsulfate 7.548 -0.006 tryptophan Uracil 7.549 0.007 tryptophan Uracil 7.552 -0.006 Uracil tryptophan 7.552 0.007 Uracil tryptophan 0.998 -0.006 valine cholic_acid 0.996 0.006 valine cholic_acid 1.047 -0.006 valine 2_methylbutyric_acid 1.047 0.006 valine 2_methylbutyric_acid 3.62 -0.004 valine gpc rahmnose 3.62 0.004 valine gpc rahmnose