diff --git a/alphabase/constants/const_files/modification.tsv b/alphabase/constants/const_files/modification.tsv index 8634b852..3d94f39b 100644 --- a/alphabase/constants/const_files/modification.tsv +++ b/alphabase/constants/const_files/modification.tsv @@ -2936,8 +2936,8 @@ CP-DTB@W 0.0 0.0 C(27)H(44)N(10)O(7) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(C CP-DTB-heavy@W 0.0 0.0 13C(4)15N(2)C(23)H(44)N(8)O(7) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(CC(=C(N(C)C(=O)OCCCc%11cn(CCCC[C@@H](C(N)=O)N[13C](=O)[13CH2][15NH][13C](=O)[13CH2][15NH]C(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)N2)C1=C2C=CC=C1)C(=O)[Ts] 0.0 EBA-DTB@K 0.0 0.0 C(32)H(41)N(9)O(6) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(CCCC[n+]%12ccc%13ccc(OCc%11cn(CCCC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)cc%13c%12)C(=O)[Ts] 0.0 EBA-DTB-heavy@K 0.0 0.0 13C(4)15N(2)C(28)H(41)N(7)O(6) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(CCCC[n+]%12ccc%13ccc(OCc%11cn(CCCC[C@@H](C(N)=O)N[13C](=O)[13CH2][15NH][13C](=O)[13CH2][15NH]C(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)cc%13c%12)C(=O)[Ts] 0.0 -EBA-DTB@Any_N-term 0.0 0.0 C(32)H(41)N(9)O(6) 0.0 User-added 0 0.0 -EBA-DTB-heavy@Any_N-term 0.0 0.0 13C(4)15N(2)C(28)H(41)N(7)O(6) 0.0 User-added 0 0.0 +EBA-DTB@Any_N-term 0.0 0.0 C(32)H(41)N(9)O(6) 0.0 User-added 0 [Lv+]%12C=CC%13=CC=C(OCc%11cn(CCCC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)C=C%13C=%12 0.0 +EBA-DTB-heavy@Any_N-term 0.0 0.0 13C(4)15N(2)C(28)H(41)N(7)O(6) 0.0 User-added 0 [Lv+]%12C=CC%13=CC=C(OCc%11cn(CCCC[C@@H](C(N)=O)N[13C](=O)[13CH2][15NH][13C](=O)[13CH2][15NH]C(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)C=C%13C=%12 0.0 EBX1-DTB@C 0.0 0.0 C(27)H(41)N(9)O(6) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(CSC#CCCOCc%11cn(CCCC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)C(=O)[Ts] 0.0 EBX1-DTB-heavy@C 0.0 0.0 13C(4)15N(2)C(23)H(41)N(7)O(6) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(CSC#CCCOCc%11cn(CCCC[C@@H](C(N)=O)N[13C](=O)[13CH2][15NH][13C](=O)[13CH2][15NH]C(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)C(=O)[Ts] 0.0 EBX2-DTB@C 0.0 0.0 C(22)H(35)N(9)O(5) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(CSc%11cn(CCCC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)C(=O)[Ts] 0.0 @@ -3092,8 +3092,8 @@ OxMet2-DTB@M 0.0 0.0 C(29)H(47)N(11)O(7) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H OxMet2-DTB-heavy@M 0.0 0.0 13C(4)15N(2)C(25)H(47)N(9)O(7) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(CCS(C)=NC(=O)N%12CCC(OCc%11cn(CCCC[C@@H](C(N)=O)N[13C](=O)[13CH2][15NH][13C](=O)[13CH2][15NH]C(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)CC%12)C(=O)[Ts] 0.0 PCA-DTB@K 0.0 0.0 C(28)H(38)N(10)O(5) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(CCCCN=Cc%12ccc(c%11cn(CCCC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)cn%12)C(=O)[Ts] 0.0 PCA-DTB-heavy@K 0.0 0.0 13C(4)15N(2)C(24)H(38)N(8)O(5) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(CCCCN=Cc%12ccc(c%11cn(CCCC[C@@H](C(N)=O)N[13C](=O)[13CH2][15NH][13C](=O)[13CH2][15NH]C(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)cn%12)C(=O)[Ts] 0.0 -PCA-DTB@Any_N-term 0.0 0.0 C(28)H(38)N(10)O(5) 0.0 User-added 0 0.0 -PCA-DTB-heavy@Any_N-term 0.0 0.0 13C(4)15N(2)C(24)H(38)N(8)O(5) 0.0 User-added 0 0.0 +PCA-DTB@Any_N-term 0.0 0.0 C(28)H(38)N(10)O(5) 0.0 User-added 0 [Lv]=Cc%12ccc(c%11cn(CCCC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)cn%12 0.0 +PCA-DTB-heavy@Any_N-term 0.0 0.0 13C(4)15N(2)C(24)H(38)N(8)O(5) 0.0 User-added 0 [Lv]=Cc%12ccc(c%11cn(CCCC[C@@H](C(N)=O)N[13C](=O)[13CH2][15NH][13C](=O)[13CH2][15NH]C(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)cn%12 0.0 PFPSA-DTB@C 0.0 0.0 C(30)H(40)N(10)O(7)S(1)F(4) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(CSc%12c(F)c(F)c(S(=O)(=O)NCCc%11cn(CCCC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)c(F)c%12F)C(=O)[Ts] 0.0 PFPSA-DTB-heavy@C 0.0 0.0 13C(4)15N(2)C(26)H(40)N(8)O(7)F(4)S(1) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(CSc%12c(F)c(F)c(S(=O)(=O)NCCc%11cn(CCCC[C@@H](C(N)=O)N[13C](=O)[13CH2][15NH][13C](=O)[13CH2][15NH]C(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)c(F)c%12F)C(=O)[Ts] 0.0 PFPSA-DTB@H 0.0 0.0 C(30)H(40)N(10)O(7)S(1)F(4) 0.0 User-added 0 N([Fl])([Fl])[C@@]([H])(CC1=CN(c%12c(F)c(F)c(S(=O)(=O)NCCc%11cn(CCCC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)CCCCC[C@H]%10NC(=O)N[C@@H]%10C)nn%11)c(F)c%12F)C=N1)C(=O)[Ts] 0.0