| | Positive ESI pairs | PC |
| | homoserine/threonine | Carnitine/4-aminobutanoate | 1 | | Methylglyoxal | 3-Indoleacetonitrile | | Succinate | 3-Indoleacetonitrile | | Valine | 3′, 5′ cyclic AMP | | Leucine | 3′, 5′ cyclic AMP | | 4-Aminobutyric acid/aspartate | 3′, 5′ cyclic AMP | | Valine | 3′, 5′ cyclic AMP | | Homoserine/threonine | 3′, 5′ cyclic AMP | | Thymine/4-guanidino-butanamide | 3′, 5′ cyclic AMP | | Leucine | 3′, 5′ cyclic AMP | | sn-Glycerol-3-phosphate/3-dehydroshikimate | 3′, 5′ cyclic AMP | | Glutamine | 3′, 5′ cyclic AMP | | But-1-ene-1,2,4-tricarboxylate/7,8 diaminononanoate | 3′, 5′ cyclic AMP | | Valine | 3′, 5′ cyclic AMP | | Methylglyoxal | 3′, 5′ cyclic AMP | | homoserine/threonine | 3′, 5′ cyclic AMP | | Valine | 3′, 5′ cyclic AMP | | Succinate | 3′, 5′ cyclic AMP | | N-Acetyl-L-glutamate | 3′, 5′ Cyclic AMP | | Leucine | Nicotinate-D-ribonucletide | | 4-Aminobutyric acid/aspartate | Nicotinate-D-ribonucletide | | Glycerone/lactate | Nicotinate-D-ribonucletide | | sn-Glycerol-3-phosphate/3-dehydroshikimate | Nicotinate-D-ribonucletide | | But-1-ene-1,2,4-tricarboxylate/7,8 diaminononanoate | Nicotinate-D-ribonucletide |
| | Leucine | O-Acetyl-L-serine | 2 | | Aspartate | O-Acetyl-L-serine | | Leucine | O-Acetyl-L-serine |
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