Table 2.
Experimental Uncertainties of CCS Values for the Studied Metabolites (Å2)a
no. | compound name | experimental CCS (Literature) | experimental CCS (this work) | error (%)b | consensus |
---|---|---|---|---|---|
1 | camosine | 152.2 | 147.9 | 2.89 | 150.1 |
2 | L-anserine | 156.0 | 151.7 | 2.81 | 153.9 |
3 | abscisic acid | 160.6 | 165.0 | 2.69 | 162.8 |
4 | O-succinyl-l-homoserine | 147.5 | 142.3 | 3.63 | 144.9 |
5 | L-tyrosine | 145.8 | 139.0 | 4.86 | 142.4 |
6 | L-citrulline | 139.5 | 131.2 | 6.33 | 135.4 |
7 | quinolinic acid | 139.0 | 131.1 | 6.01 | 135.1 |
8 | nicotinic acid | 128.4 | 126.6 | 1.38 | 127.5 |
9 | guanidinoacetic acid | 126.9 | 127.2 | 0.25 | 127.1 |
10 | citramalic acid | 124.9 | 117.7 | 6.09 | 121.3 |
11 | N-methyl-l-glutam.ate | 133.7 | 130.0 | 2.85 | 131.9 |
12 | serotonin | 151.9 | 144.2 | 5.34 | 148.1 |
13 | L-mimosine | 143.5 | 143.1 | 0.26 | 143.3 |
14 | L-tryptophan | 143.5 | 145.8 | 1.60 | 144.7 |
15 | L-ornithine | 129.8 | 127.4 | 1.88 | 128.6 |
16 | N,N-dimethylglycine | 123.9 | 127.2 | 2.59 | 125.6 |
17 | kynurenine | 151.1 | 144.2 | 4.76 | 147.7 |
18 | L-asparagine | 131.5 | 125.8 | 4.56 | 128.7 |
19 | L-2-aminoadipic Acid | 131.5 | 131.6 | 0.05 | 131.6 |
20 | glutamine | 133.5 | 127.9 | 4.34 | 130.7 |
Nitrogen gas was used as the drift gas for CCS measurement. The average of two experimental data, i.e., consensus CCS values, is also reported.
Average % of error is 3.3 ± 2