view test-data/2DNMRAnnotation_duplicateHSQC.tabular @ 5:e2b63e0c04e1 draft default tip

planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit 3d328007dd7716848ec2eeb6c2a472f27eeb2995
author workflow4metabolomics
date Fri, 11 Jul 2025 08:33:27 +0000
parents 546c7ccd2ed4
children
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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