cid_it_tryp_fragments.txt

MS-Clustering is designed to rapidly cluster large MS/MS datasets. The program merges similar spectr

#ALL FRAGMENTS 37
s 1 19.01830 y
p 1 1.00780 b
p 1 -17.00220 b-H2O
s 2 10.01305 y2
s 1 1.00830 y-H2O
p 2 1.00780 b2
p 1 -26.98710 a
s 1 1.99180 y-NH3
p 1 -16.01870 b-NH3
p 1 18.96719 p+19.0
p 1 -35.01220 b-H2OH2O
p 1 18.03430 c
p 1 0.02430 c-H2O
s 2 1.49980 y2-NH3
p 1 -44.01360 a-NH3
p 1 -34.02920 b-H2ONH3
s 1 -16.01870 y-H2ONH3
p 2 -7.99720 b2-H2O
p 1 -44.99710 a-H2O
s 1 2.99000 z
p 2 -7.50545 b2-NH3
s 2 1.00805 y2-H2O
p 1 -33.04520 b-NH3NH3
s 1 -15.03470 y-NH3NH3
s 1 -17.00170 y-H2OH2O
s 1 -14.03650 z-NH3
s 1 28.97110 x-NH3
s 3 7.31022 y3i1
s 2 1.99890 z2
p 2 -12.98965 a2
p 2 0.51605 c2-H2O
s 3 1.33580 y3-NH3
s 2 -7.50545 y2-H2ONH3
s 2 14.98945 x2-NH3
s 2 23.50270 x2
s 3 10.32890 x3-NH3
s 3 16.00440 x3