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chemdata.txt
47 lines (46 loc) · 2.38 KB
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chemdata.txt
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OPT-His:Precursor: 13C9, C10, H16, N0, O2, P0, S1
OPT-His:Product Ion: 13C1, C10, H10, N0, O0, P0, S1
alpha-OPT-Orn:Precursor: 13C7, C10, H19, N0, O2, P0, S1
alpha-OPT-Orn:Product Ion: 13C1, C8, H6, N0, O0, P0, S0
alpha-OPT-Lys:Precursor: 13C8, C10, H21, N0, O2, P0, S1
alpha-OPT-Lys:Product Ion: 13C1, C8, H6, N0, O0, P0, S0
OPT-Asn:Precursor: 13C6, C10, H15, N0, O3, P0, S1
OPT-Asn:Product Ion: 13C1, C10, H10, N0, O0, P0, S1
OPT-Arg:Precursor: 13C10, C10, H21, N0, O2, P0, S1
OPT-Arg:Product Ion: 13C1, C10, H10, N0, O0, P0, S1
OPT-Gln:Precursor: 13C7, C10, H17, N0, O3, P0, S1
OPT-Gln:Product Ion: 13C1, C10, H10, N0, O0, P0, S1
OPT-Ser:Precursor: 13C4, C10, H14, N0, O3, P0, S1
OPT-Ser:Product Ion: 13C1, C8, H5, N0, O0, P0, S1
OPT-Citr:Precursor: 13C9, C10, H20, N0, O3, P0, S1
OPT-Citr:Product Ion: 13C1, C10, H10, N0, O0, P0, S1
OPT-Asp:Precursor: 13C5, C10, H14, N0, O4, P0, S1
OPT-Asp:Product Ion: 13C1, C10, H10, N0, O0, P0, S1
OPT-Hom:Precursor: 13C5, C10, H16, N0, O3, P0, S1
OPT-Hom:Product Ion: 13C1, C10, H10, N0, O0, P0, S1
OPT-Glu:Precursor: 13C6, C10, H16, N0, O4, P0, S1
OPT-Glu:Product Ion: 13C1, C8, H5, N0, O0, P0, S1
delta-OPT-Orn:Precursor: 13C7, C10, H19, N0, O2, P0, S1
delta-OPT-Orn:Product Ion: 13C1, C10, H10, N0, O0, P0, S1
OPT-Thr:Precursor: 13C5, C10, H16, N0, O3, P0, S1
OPT-Thr:Product Ion: 13C1, C8, H5, N0, O0, P0, S1
OPT-Gly:Precursor: 13C3, C10, H12, N0, O2, P0, S1
OPT-Gly:Product Ion: 13C1, C8, H6, N0, O0, P0, S0
epsilon-OPT-Lys:Precursor: 13C8, C10, H21, N0, O2, P0, S1
epsilon-OPT-Lys:Product Ion: 13C1, C10, H10, N0, O0, P0, S1
OPT-Ala:Precursor: 13C4, C10, H14, N0, O2, P0, S1
OPT-Ala:Product Ion: 13C1, C8, H6, N0, O0, P0, S0
OPT-Tyr:Precursor: 13C10, C10, H18, N0, O3, P0, S1
OPT-Tyr:Product Ion: 13C1, C10, H10, N0, O0, P0, S1
OPT-Met:Precursor: 13C6, C10, H18, N0, O2, P0, S2
OPT-Met:Product Ion: 13C1, C8, H6, N0, O0, P0, S0
OPT-Val:Precursor: 13C6, C10, H18, N0, O2, P0, S1
OPT-Val:Product Ion: 13C1, C8, H6, N0, O0, P0, S0
OPT-Trp:Precursor: 13C13, C10, H19, N0, O2, P0, S1
OPT-Trp:Product Ion: 13C1, C10, H10, N0, O0, P0, S1
OPT-Phe:Precursor: 13C10, C10, H18, N0, O2, P0, S1
OPT-Phe:Product Ion: 13C1, C10, H10, N0, O0, P0, S1
OPT-Isoleu:Precursor: 13C7, C10, H20, N0, O2, P0, S1
OPT-Isoleu:Product Ion: 13C1, C8, H6, N0, O0, P0, S0
OPT-Leu:Precursor: 13C7, C10, H20, N0, O2, P0, S1
OPT-Leu:Product Ion: 13C1, C8, H6, N0, O0, P0, S0