H-Phe-Pro-Ala-pNA -molcms-05152607052D 33 35 0 0 1 0 0 0 0 0999 V2000 3.3781 1.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4826 0.4598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6736 -0.1280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7601 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -0.3090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9511 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2872 1.1590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9563 0.4158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5962 2.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 2.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2435 1.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2216 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5306 2.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8615 3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 3.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3601 1.6942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6555 1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3962 0.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2052 0.6409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1187 0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9278 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8413 0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8594 -0.9861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9639 -1.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6684 -0.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1368 -1.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2233 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5007 -0.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 10 20 2 0 0 0 0 4 21 2 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 27 31 1 0 0 0 0 31 32 2 0 0 0 0 32 24 1 0 0 0 0 22 33 2 0 0 0 0 M CHG 2 28 1 29 -1 M END > H-Phe-Pro-Ala-pNA > 201738-99-0 > C23H27N5O5 > MFCD00238130 > 453.49 > > > > C[C@H](NC([C@@H]1CCCN1C([C@@H](N)CC2=CC=CC=C2)=O)=O)C(NC3=CC=C([N+]([O-])=O)C=C3)=O $$$$