Table 1 Mass spectral characteristics of the main alkaloids, niacin and phenolic compounds in the coffee samples.
From: Niacin, alkaloids and (poly)phenolic compounds in the most widespread Italian capsule-brewed coffees
N. | Compound | Ion.Mode | Rta (min) | [M-H]+ or [M-H]- (m/z) | MSb (m/z) | MSI MI levelc | Quantified as |
|---|---|---|---|---|---|---|---|
1 | NMP | + | 0.48 | 95 | 79c; 83 | 1 | NMP |
2 | Trigonelline | + | 0.45 | 138 | 92; 94 | 1 | Trigonelline |
3 | Niacin | + | 0.64 | 124 | 106; 80 | 1 | Niacin |
4 | Caffeine | + | 3.61 | 195 | 138 | 1 | Caffeine |
5 | 3-CQA | − | 3.18 | 353 | 191;179;135 | 1 | 3-CQA |
6 | 4-CQA | − | 3.86 | 353 | 173; 191; 179 | 1 | 4-CQA |
7 | 5-CQA | − | 3.76 | 353 | 191;179 | 1 | 5-CQA |
8 | 3-FQA | − | 3.72 | 367 | 193: 191 | 2 | 3-CQA |
9 | 4-FQA | − | 4.33 | 367 | 173; 193 | 2 | 4-CQA |
10 | 5-FQA | − | 4.70 | 367 | 191;173 | 2 | 5-CQA |
11 | 3-CouQA | − | 4.20 | 337 | 191;179 | 2 | 3-CQA |
12 | 4-CouQA | − | 4.60 | 337 | 173; 191 | 2 | 4-CQA |
13 | CSA1 | − | 3.94 | 335 | 179; 161 | 2 | 5-CQA |
14 | CSA2 | − | 4.43 | 335 | 173; 179 | 2 | 5-CQA |
15 | CQL1 | − | 4.64 | 335 | 161; 135 | 2 | 5-CQA |
16 | CQL2 | − | 4.80 | 335 | 161; 135 | 2 | 5-CQA |
17 | 4-FQL | − | 5.72 | 349 | 175; 193 | 2 | 4-CQA |
