Table 1.
Parameters for the full scan and PRM method at the Orbitrap Fusion and for the SRM method at the TSQ Quantum
| Orbitrap | TSQ SRM | ||||
|---|---|---|---|---|---|
| Vitamin | Chemical formula | Parent ion m/z → product ion m/z (collision energy eV) | RF lens (V) | Parent ion m/z → product ions m/z (collision energy eV) | Tube lens (V) |
| Thiamine (B1) | C12H17N4OS | 265.1118 → 122.0731 (22) | 50 | 265.1 → 122.1 (20), 144.1 (18), 81.1 (40) | 112 |
| Riboflavin (B2) | C17H20N4O6 | 377.1456 → 243.0875 (30) | 90 | 377.1 → 243.0 (32), 172.1 (49), 198.0 (50) | 126 |
| Nicotinic acid (B3) | C6H5NO2 | 124.0393 → 96.0444 (50) | 50 | 124.0 → 80.1 (24), 78.1 (25), 53.2 (32) | 110 |
| Pantothenic acid (B5) | C9H17NO5 | 220.1179 → 90.0550 (25) | 50 | 220.1 → 90.1 (20), 202.1 (17), 184.1 (16) | 108 |
| Pyridoxine (B6) | C8H11NO3 | 170.0812 → 152.0716 (20) | 60 | 170.1 → 152.1 (18), 134.1 (28), 77.1 (46) | 96 |
| Biotin (B7) | C10H16N2O3S | 245.0954 → 227.0847 (24) | 55 | 245.1 → 227.1 (19), 97.1 (41), 123.1 (38) | 110 |
| Folic acid (B9) | C19H19N7O6 | 442.1470 → 295.0936 (18) | 50 | 442.1 → 295.1 (23), 176.0 (51), 199.9 (49) | 165 |
| Cyanocobalamin (CB12) | C63H88CoN14O14P | 678.2910 → 147.0917 (50) | 60 | 678.4 → 358.1 (43), 997.5 (39), 147.0 (57) | 135 |
| Adenosylcobalamin (AB12) | C72H100CoN18O17P | 790.3364 → 665.2893 (16) | 60 | 790.5 → 665.0 (39), 147.0 (59), 358.9 (54) | 153 |
| Methylcobalamin (MB12) | C63H91CoN13O14P | 672.8012 → 665.2892 (17) | 60 | 672.9 → 665.3 (33), 146.9 (57), 971.5 (54) | 138 |
| Hydroxycobalamin (HB12) | C62H89CoN13O15P | 673.7908 → 147.0917 (49) | 60 | 673.8 → 664.9 (10), 635.7 (33), 147.0 (53) | 170 |
| 4-Amino-5-hydroxymethyl-2-methylpyrimidine (HMP) | C6H9N3O | 140.0818 → 81.0448 (35) | 60 | 140.1 → 81.1 (24), 122.1 (16), 54.2 (37) | 81 |
| 5-(2-Hydroxyethyl)-4-methylthiazole (HET) | C6H9NOS | 144.0478 → 113.0294 (48) | 65 | 144.1 → 113.1 (29), 126.1 (23), 71.1 (47) | 82 |
| Desthiobiotin (DB7) | C10H18N2O3 | 215.1390 → 197.1283 (20) | 60 | 215.1 → 197.2 (17), 179.2 (23), 95.1 (32) | 97 |
| 5,6-Dimethylbenzimidazole (DMB) | C9H10N2 | 147.0917 → 131.0604 (55) | 70 | 147.1 → 131.1 (43), 77.1 (55), 120.1 (29) | 82 |
| Cyanocobinamide (Cbi) | C49H72CoN12O8 | 1015.4923 → 930.4505 (35) | 70 | 1015.6 → 930.4 (68), 1014.2 (68), 988.6 (39) | 232 |
| α-Ribazole (α-Rib) | C14H18N2O4 | 279.1339 → 147.0917 (40) | 60 | 279.1 → 132.1 (58), 147.1 (22) | 93 |
Bold numbers, parent ion m/z; italic numbers, most intense SRM product ion m/z used for quantification