Table 4. Ionic species identified in the ESI(+) and ESI (−) spectra of bile juice, digestive fluid mixture and digestive fluid mixture diluted 1:100 in presence of 5FU and EGCG and their structural identity by m/z values and product (→) and precursor (←) ion scans (MS/MS).
| Bile juice | Digestive fluid mixture | Digestive fluid mixture diluted 1:100 | |||
|---|---|---|---|---|---|
| 5FU | ESI(+) | Spectra | [5FU+Na+] m/z 153
(4 × 107) |
||
| MS/MS | |||||
| ESI(−) | Spectra | [5FU-H]−
m/z 129
(2.2 × 108) |
[5FU-H]−
m/z 129
(2.1 × 108) |
[5FU-H]−
m/z 129
(2.5 × 108) |
|
| MS/MS | [(5FU+EGCG)-H]− → [5FU-H]−
m/z 587→ m/z 129 (4 × 104) |
||||
| EGCG | ESI(+) | Spectra | [EGCG+Na+] m/z 481
(1.3 × 108) |
||
| MS/MS | [EGCG+Na+] ← [(5FU+EGCG)+Na+]
m/z 481 ← m/z 611 (6 × 104) |
[EGCG+Na+] ← [(5FU+EGCG)+Na+]
m/z 481 ← m/z 611 (1 × 103) |
[EGCG+Na+] ← [(5FU+EGCG)+Na+]
m/z 481 ← m/z 611 (2 × 106) |
||
| ESI(−) | Spectra | [EGCG-H]−
m/z 457
(7 × 107) |
[EGCG-H]−
m/z 457
(4 × 107) |
||
| MS/MS | [EGCG-H]− ← [(5FU+EGCG)-H]−
m/z 457 ← m/z 587 (2 × 105) |
[EGCG-H]− ← [5FU+EGCG-H]−
m/z 457 ← m/z 587 (8 × 106) |
|||
| 5FU+EGCG | ESI(+) | Spectra | [(5FU+EGCG)+Na+] m/z 611
(2.5 × 107) |
||
| MS/MS | [(5FU+EGCG)+Na+] → [EGCG+Na+]
m/z 611 → m/z 481 (1.6 × 105) |
[(5FU+EGCG)+Na+] → [5FU+Na+]
m/z 611 → m/z 153 (5 × 104) |
[(5FU+EGCG)+Na+] → [EGCG+Na+]
m/z 611 → m/z 481 (1.4 × 106) |
||
| ESI(−) | Spectra | [(5FU+EGCG)-H]−
m/z 587
(2 × 107) |
|||
| MS/MS | [(5FU+EGCG)-H]− → [EGCG-H]−
m/z 587 → m/z 457 (2 × 105) |
[(5FU+EGCG)-H]− → [EGCG-H]−
m/z 587 → m/z 457 (6 × 106) |
|||