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. 2014 Nov 13;12(11):5372–5395. doi: 10.3390/md12115372

Table 2.

Electrospray ionization collision-induced dissociation tandem mass spectrometry fragment ions observed for MC-FA, MC-FAba and MC-FL.

Fragment Assignment a MC-FA (19) MC-FAba (23) MC-FL (26)
M + H 944 958 986
M − H2O + H 926 940 968
M − Mdha − H2O + H 843 857 885
M − Adda sidechain + H 810 824 852
M − Adda sidechain − H2O + H 792 806 834
M − Adda + H 631 645 673
M − Adda − H2O + H 613 627 655
Adda-Glu-Mdha-Ala-Phe-Masp − NH3 + H 856 856 856
Adda-Glu-Mdha-Ala-Phe − NH3 + H 727 727 727
Adda-Glu-Mdha-Ala − NH3 + H 580 580 580
Adda-Glu-Mdha − NH3 + H 509 509 509
Adda′-Glu-Mdha-Ala-Phe + H 593 593 593
Adda′-Glu-Mdha-Ala + H 446 446 446
Adda′-Glu-Mdha + H 375 375 375
Mdha-Ala-Phe-Masp-Z + NH4 471 533 561
Ala-Phe-Masp-Z + NH4 388 450 478
Phe-Masp-Z + NH4 317 379 407
Mdha-Ala-Phe-Masp-Z + H 454 516 544
Ala-Phe-Masp-Z + H 371 433 461
Phe-Masp-Z + H 300 362 390

a Z = Position four amino acid (for 19 = 71 Da, 23 = 85 Da and 26 = 113 Da); Adda′ = Adda minus NH2 and the sidechain (C9H11O).