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. Author manuscript; available in PMC: 2011 Jan 20.
Published in final edited form as: Environ Toxicol. 2010 Aug;25(4):367–380. doi: 10.1002/tox.20522

Table 2.

Composition of ions in the MS2 spectrum of the [M+H]+ ion of [Asp3]-MC-RY

Composition and sequence Calculated m/z Measured m/z Error [ppm]
M (+ H+) 1031.5197 1031.5197 0.0
M (− CO) (+ H+) 1003.5248 1003.5244 −0.4
Glu-(Mdha or Dhb)-Ala-Arg-Asp (+ H+) 555.2522 555.2643 21.8
Glu-(Mdha or Dhb)-Ala-Arg (+ H+) 440.2252 440.2386 30.4
Glu-(Mdha or Dhb)-Ala-Arg (− COOH) (+ H+) 395.2276 395.2124 −38.5
Glu-(Mdha or Dhb) (+ H+) 213.0870 213.0879 4.2
(Mdha or Dhb)-Ala-Arg-Asp (+ H+) 426.2096 426.2177 19.0
(Mdha or Dhb)-Ala-Arg-Asp (− NH3) (+ H+) 409.1831 409.1936 25.7
(Mdha or Dhb)-Ala-Arg (+ H+) 311.1826 311.1879 17.0
(Mdha or Dhb)-Ala-Arg (− CO) (+ H+) 283.1877 283.1771 −37.4
(Mdha or Dhb)-Ala-Arg (− NH3) (+ H+) 294.1561 294.1605 15.0
(Mdha or Dhb)-Ala (+ H+) 155.0815 155.0824 5.8
(Mdha or Dhb)-Ala (− CO) (+ H+) 127.0866 127.0899 26.0
Ala-Arg-Asp-Tyr-Adda (+ H+) 819.4400 819.4226 −21.2
Ala-Arg-Asp (+ H+) 343.1724 343.1826 29.7
Ala-Arg (+ H+) 228.1455 228.1474 8.3
Arg-Asp-Tyr (+ H+) 435.1987 435.2142 35.6
Arg-Asp-Tyr (− COOH) (+ H+) 390.2010 390.1989 −5.4
Arg-Asp (+ H+) 272.1353 272.1411 21.3
Arg (+ H+) 157.1084 157.1098 8.9
Asp-Tyr (+ H+) 279.0975 279.1034 21.1
Asp-Tyr (− CO) (+ H+) 251.1026 251.1096 27.9
Tyr-Adda-Glu-(Mdha or Dhb)-Ala-Arg (+ H+) 916.4927 916.4935 0.9
Tyr-Adda-Glu-(Mdha or Dhb)-Ala-Arg (− CO) (+ H+) 888.4978 888.5056 8.8
Tyr-Adda-Glu-(Mdha or Dhb) (+ H+) 689.3545 689.3567 3.2
Tyr-Adda-Glu (+ H+) 606.3174 606.3105 −11.4
Tyr-Adda (+ H+) 477.2748 477.2565 −38.3
Adda-Glu-(Mdha or Dhb)-Ala-Arg-Asp (− NH3) (+ H+) 851.4298 851.4353 6.5
Adda-Glu-(Mdha or Dhb)-Ala-Arg-Asp (− NH3) (− 134 Adda) (+ H+) 717.3565 717.3604 5.4
Adda-Glu-(Mdha or Dhb) (− NH3) (+ H+) 509.2647 509.2621 −5.1
Adda-Glu-(Mdha or Dhb) (− NH3) (− 134 Adda) (+ H+) 375.1915 375.1996 21.6
Adda-Glu-(Mdha or Dhb) (− CO) (− NH3) (− 134 Adda) (+ H+) 347.1966 347.2035 19.9
Adda (− NH3) (− 134 Adda) (+ H+) 163.1118 163.1127 5.5
134Adda (+ H+) 135.0804 135.0824 14.8