TABLE 1.
Proposed structures of fragment ions from MS/MS collision-induced dissociation of parental ion at m/z 802.06 (z = 3)
See Fig. 6D.
| Ion formed |
m/z |
Proposed structure | |
|---|---|---|---|
| Calculated | Observed | ||
| [M + 2H]2+ | 489.80 | 489.86 | (PPVPPKT-)mDAP-d-Ala |
| [M + 2H]2+ | 554.36 | 554.38 | d-Glu- (PPVPPKT-)mDAP-d-Ala |
| [M + H]+ | 638.28 | 638.17 | YPYDV |
| [M + H]+ | 685.41 | 685.26 | (PPKT-)mDAP-d-Ala |
| [M + 3H]3+ | 759.05 | 759.11 | mDAP- (YPYDVPDYAVNPPVPPKT-)d-Ala |
| [M + 3H]3+ | 772.38 | 772.43 | d-Glu- (YPYDVPDYAVNPPVPPKT-)mDAP |
| [M + H]+ | 814.45 | 814.33 | d-Glu- (PPKT-)mDAP-d-Ala |
| [M + H]+ | 850.36 | 850.28 | YPYDVPD |
| [M + H]+ | 881.53 | 881.40 | (PVPPKT-)mDAP-d-Ala |
| [M + H]+ | 978.58 | 978.39 | (PPVPPKT-)mDAP-d-Ala |
| [M + H]+ | 1010.57 | 1010.37 | d-Glu- (PVPPKT-)mDAP-d-Ala |
| [M + H]+ | 1013.43 | 1013.33 | YPYDVPDY |
| [M + H]+ | 1084.46 | 1084.29 | YPYDVPDYA |
| [M + H]+ | 1107.62 | 1107.34 | d-Glu- (PPVPPKT-)mDAP-d-Ala |
| [M + H]+ | 1183.53 | 1183.22 | YPYDVPDYAV |
| [M + H]+ | 1279.67 | 1279.41 | DYAVNPPVPPKT |
| [M + H]+ | 1297.57 | 1297.31 | YPYDVPDYAVN |
| [M + H]+ | 1590.75 | 1590.48 | YPYDVPDYAVNPPV |