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. 2022 Aug 12;17(1):865–880. doi: 10.1515/biol-2022-0096

Table 2.

Putative identification of CMD in negative ion mode

No. Component name Area RT Formula Precursor mass Found at mass Mass error (ppm)
1 Histidine 17,540 1.09 C6H9N3O2 154.062 154.0621 −0.7
2 l(+)-Arginine 165,100 1.1 C6H14N4O2 173.104 173.1044 0.2
3 Glutamic acid 57,600 1.14 C5H9NO4 146.046 146.046 0.6
4 d-(+)-Mannose 786,300 1.22 C6H12O6 179.056 179.0562 0.4
5 l-Malic acid 3,632,000 1.38 C4H6O5 133.014 133.0144 0.9
6 Citric acid 9,523,000 1.9 C6H8O7 191.02 191.0198 0.3
7 Succinic acid 58,120 2.29 C4H6O4 117.019 117.0193 0
8 Leucine 473,700 2.47 C6H13NO2 130.087 130.0873 0
9 Guanosine 335,800 2.47 C10H13N5O5 282.084 282.0844 0.1
10 Gallic acid 10,950 2.65 C7H6O5 169.014 169.0142 −0.3
11 Phenylalanine 592,600 3.18 C9H11NO2 164.072 164.0717 −0.1
12 Vanillic acid 119,600 3.37 C8H8O4 167.035 167.035 0.2
13 l-Tryptophan 383,500 4.16 C11H12N2O2 203.083 203.0827 0.7
14 4-Hydroxybenzoic acid 36,400 4.63 C7H6O3 137.024 137.0245 0.9
15 4-O-caffeoyl quinic acid 21,560 4.8 C16H18O9 353.088 353.0881 0.8
16 Esculetin 151,700 5.13 C9H6O4 177.019 177.0195 0.8
17 Caffeic acid 154,600 5.21 C9H8O4 179.035 179.0351 0.6
18 Shikimic acid 548,900 5.49 C7H10O5 173.046 173.0454 −0.9
19 Ellagic acid 28,660 6.35 C14H6O8 300.999 300.999 0.1
20 Hyperin 34,590 6.51 C21H20O12 463.088 463.0875 −1.4
21 Narirutin 8,615 7.08 C27H32O14 579.172 579.1718 −0.3
22 Neohesperidin 16,980 7.5 C28H34O15 609.182 609.1827 0.4
23 Tiliroside 16,580 8.92 C30H26O13 593.13 593.1292 −1.4
24 Calycosin-7-o-glucoside 4,825 9.43 C22H22O10 491.119 491.1188 −1.4
25 Gracillin 14,970 10.78 C45H72O17 929.475 929.473 −2.3
26 Liriope muscari baily saponins C 165,000 13.46 C44H70O17 869.454 869.4514 −3
27 Methylophiopogonone A 386,000 14.71 C19H16O6 339.087 339.0864 −2.9
28 Ophiopogonin D 3,242,000 14.83 C44H70O16 899.465 899.4623 −2.6
29 Methylophiopogonanone B 2,266,000 14.99 C19H20O5 327.124 327.1228 −3
30 Liriopesides B 181,500 15.12 C39H62O12 767.422 767.4199 −3.1
31 Gingerglycolipid B 5,459 15.2 C33H58O14 723.381 723.3788 −2.8
32 Corosolic acid 3,440 15.55 C30H48O4 471.348 471.3459 −4.4
33 Ophiopogonanone C 75,350 15.72 C19H16O7 355.082 355.0814 −2.7