Mercurial > repos > marie-tremblay-metatoul > 2dnmrannotation

diff test-data/2DNMRAnnotation_duplicateHSQC.tabular @ 3:546c7ccd2ed4 draft default tip

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"planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit 911f4beba3dcb25c1033e8239426f8f763683523"
author workflow4metabolomics
date Fri, 04 Feb 2022 09:01:11 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2DNMRAnnotation_duplicateHSQC.tabular	Fri Feb 04 09:01:11 2022 +0000
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+ppm1	ppm2	commonMetabolitesList
+0.9996	19.4973	 L-valine Cholic acid Cholesterol
+1.0493	20.7695	 L-valine Cholesterol
+3.425	72.3072	 D-Glucose maltose
+3.5494	74.1688	 D-Glucose Myo-Inositol
+4.6599	98.7368	 D-Glucose maltose
+2.3567	31.8174	 L-Proline Taurocholic acid
+3.232	56.932	 carnitine Glycerophosphocholine
+1.2698	27.2621	 Isoleucine Glycocholic acid
+3.024	41.9605	 Cadaverine L-lysine 4-aminobutyric acid 5-aminopentanoic acid
+3.2093	30.1637	 L-Histidine 3-Methyl-L-Histidine
+3.502	74.756	 D-Galactose Cholic acid
+3.661	75.593	 D-Galactose D-Mannose
+3.866	71.993	 D-Galactose Stachyose
+3.942	71.619	 D-Galactose D-(-)-Ribose
+4	72.162	 D-Galactose Stachyose D-Fructose
+4.0659	57.8237	 L-Tryptophan Choline chloride
+7.2088	122.2507	 L-Tryptophan indoxyl sulfate
+7.2919	124.9626	 L-Tryptophan indoxyl sulfate
+4.0716	58.2271	 Choline chloride L-Tryptophan
+3.015	42.093	 4-aminobutyric acid Cadaverine 5-aminopentanoic acid
+4.1198	71.3177	 L-Lactic acid (sodium salt) D-(-)-Ribose