Table 3.
ESI(−) mass spectrum of sgnss.
| m/z | Formula [M − H]− |
RDB | Error (ppm) |
MS2 | Tentative Identification |
|---|---|---|---|---|---|
| 133.0145 | C4H5O5 | 2.5 | 1.9 | Malic acid | |
| 149.0094 | C4H5O6 | 2.5 | 1.6 | Tartaric acid | |
| 163.0249 | C5H7O6 | 2.5 | 0.5 | 2-Dehydro-D-xylonate | |
| 191.0198 | C6H7O7 | 3.5 | 0.3 | Citric acid | |
| 191.0561 | C7H11O6 | 2.5 | −0.2 | MS2 191: 173 (−18); 147 (−44 CO2); 136 (−58); 111 (−80); 85 (−106) MS3 191->173: 155 (−18), 129 (−44), 111 (−62) |
Quinic acid |
| 193.0352 | C6H9O7 | 2.5 | −0.9 | Glucuronic acid | |
| 193.0564 | C10H9O4 | 6.5 | 0.1 | Ferulic acid | |
| 205.0352 | C7H9O7 | 3.5 | −0.8 | Acid methyl citric/Acid homocitric | |
| 207.0509 | C7H11O7 | 2.5 | −0.4 | Methyl glucuronic acid | |
| 221.0666 | C8H13O7 | 2.5 | −0.3 | Ethyl glucuronic acid | |
| 223.0460 | C7H11O8 | 2.5 | 0.5 | MS2 223: 205 (−18); 191 (−32 CH3OH); 163 (−60); 131 (−92 (60 + 32)); 113 (131 − 18); 103 (131 − 28); 87 (−136: 131+44)) MS3: 223->131: 103 (−28); 87 (−44); 59(−(44 + 28)) MS3: 223->113: 85 (−28) |
Hydroxymethyl monoglycosylpyranosonic acid |
| 311.0622 | C10H15O11 | 3.5 | 0.7 | Glycosyl tartrate | |
| 359.0757 | C12H20O10Cl | 2.5 | 3.1 | Anhydrodisaccharide |
RDB: rings and/or double bonds; MS2: tandem mass spectrometry.