mzcore 0.2.0

Core logic for handling massspectrometry in Rust.
Documentation 
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crate::positive_tests!(
Id,Example,Source,Key,Notes
1,"EM[Oxidation]EVEES[Phospho]PEK",spec2_0,"",""
2,"EM[L-methionine sulfoxide]EVEES[O-phospho-L-serine]PEK",spec2_0,"",""
3,"EM[R:L-methionine sulfone]EVEES[O-phospho-L-serine]PEK",spec2_0,"",""
4,"EMEVTK[X:DSS#XL1]SESPEK",spec2_0,"",""
5,"NEEYN[GNO:G59626AS]K",spec2_0,"",""
6,"NEEYN[G:G59626AS]K",spec2_0,"","This SHOULD not be used instead use the GNO: prefix"
7,"EM[U:Oxidation]EVEES[U:Phospho]PEK",spec2_0,"",""
8,"EM[M:L-methionine sulfoxide]EVEES[M:O-phospho-L-serine]PEK",spec2_0,"",""
9,"EM[U:Oxidation]EVEES[M:O-phospho-L-serine]PEK",spec2_0,"",""
10,"EM[Oxidation]EVEES[O-phospho-L-serine]PEK",spec2_0,"","Different CVs SHOULD not be mixed"
11,"EM[Oxidation]EVE[Cation:Mg[II]]ES[Phospho]PEK",spec2_0,"",""
12,"EM[MOD:00719]EVEES[MOD:00046]PEK",spec2_0,"",""
13,"EM[UNIMOD:35]EVEES[UNIMOD:56]PEK",spec2_0,"",""
14,"EM[RESID:AA0581]EVEES[RESID:AA0037]PEK",spec2_0,"casing_specific",""
15,"EMEVTK[XLMOD:02001#XL1]SESPEK[#XL1]",spec2_0,"",""
16,"EMK[XLMOD:02000#XL1]EVTKSE[XLMOD:02010#XL2]SK[#XL1]PEK[#XL2]AR",spec2_0,"",""
17,"EMEVTK[XLMOD:02001#XL1]SESPEK",spec2_0,"",""
18,"EMEVTK[XLMOD:02001]SESPEK",spec2_0,"",""
19,"SEK[XLMOD:02001#XL1]UENCE//EMEVTK[XLMOD:02001#XL1]SESPEK",spec2_0,"",""
20,"SEK[XLMOD:02001#XL1]UENCE//EMEVTK[#XL1]SESPEK",spec2_0,"",""
21,"EVTSEKC[MOD:00034#XL1]LEMSC[#XL1]EFD",spec2_0,"ignore_warnings",""
22,"EVTSEKC[L-cystine (cross-link)#XL1]LEMSC[#XL1]EFD",spec2_0,"ignore_warnings",""
23,"FVNQHLC[MOD:00034#XL1]GSHLVEALYLVC[MOD:00034#XL2]GERGFFYTPKA//GIVEQC[MOD:00034#XL3]C[#XL1]TSIC[#XL3]SLYQLENYC[#XL2]N",spec2_0,"ignore_warnings",""
24,"EVTSEKC[XLMOD:02009#XL1]LEMSC[#XL1]EFD",spec2_0,"",""
25,"EVTSEKC[X:Disulfide#XL1]LEMSC[#XL1]EFD",spec2_0,"",""
26,"EVTSEKC[half cystine]LEMSC[half cystine]EFD",spec2_0,"",""
27,"EVTSEKC[MOD:00798]LEMSC[MOD:00798]EFDEVTSEKC[MOD:00798]LEMSC[MOD:00798]EFD",spec2_0,"",""
28,"EVTSEKC[UNIMOD:374#XL1]LEMSC[#XL1]EFD",spec2_0,"",""
29,"EVTSEKC[Dehydro#XL1]LEMSC[#XL1]EFD",spec2_0,"",""
30,"ETFGD[MOD:00093#BRANCH]//R[#BRANCH]ATER",spec2_0,"ignore_warnings","The spec used \\ which is incorrect // MUST be used here"
31,"AVTKYTSSK[MOD:00134#BRANCH]//AGKQLEDGRTLSDYNIQKESTLHLVLRLRG[#BRANCH]",spec2_0,"ignore_warnings",""
32,"YPVLN[GNO:G62765YT]VTMPN[GNO:G02815KT]NSNGKFDK",spec2_0,"",""
33,"EM[+15.9949]EVEES[+79.9663]PEK",spec2_0,"",""
34,"EM[+15.995]EVEES[-18.01]PEK",spec2_0,"",""
35,"EM[U:+15.9949]EVEES[U:+79.9663]PEK",spec2_0,"",""
36,"EM[U:+15.995]EVEES[U:+79.966]PEK",spec2_0,"",""
37,"EM[U:+15.995]EVEES[Obs:+79.978]PEK",spec2_0,"",""
38,"RTAAX[+367.0537]WT",spec2_0,"",""
39,"SEQUEN[Formula:C12H20O2]CE",spec2_0,"casing_specific",""
40,"SEQUEN[Formula:[13C2]CH6N]CE",spec2_0,"casing_specific",""
41,"SEQUEN[Formula:C12 H20 O2]CE",spec2_0,"casing_specific","Given as example in the text"
42,"SEQUEN[Formula:HN-1O2]CE",spec2_0,"casing_specific","Given as example in the text"
43,"SEQUEN[Formula:[13C2][12C-2]H2N]CE",spec2_0,"casing_specific",""
44,"SEQUEN[Formula:[13C2]C-2H2N]CE",spec2_0,"casing_specific","Given as example in the text"
45,"SEQUEN[Glycan:HexNAc1Hex2]CE",spec2_0,"casing_specific",""
46,"[iTRAQ4plex]-EM[Oxidation]EVNES[Phospho]PEK",spec2_0,"",""
47,"[iTRAQ4plex]-EM[U:Oxidation]EVNES[Phospho]PEK[iTRAQ4plex]-[Methyl]",spec2_0,"",""
48,"{Glycan:Hex}EM[U:Oxidation]EVNES[Phospho]PEK[iTRAQ4plex]",spec2_0,"",""
49,"{Glycan:Hex}[iTRAQ4plex]-EM[Oxidation]EVNES[Phospho]PEK[iTRAQ4plex]",spec2_0,"",""
50,"{Glycan:Hex}[iTRAQ4plex]-EM[Oxidation]EVNES[Phospho]PEK[iTRAQ4plex]-[Methyl]",spec2_0,"",""
51,"{Glycan:Hex}{Glycan:NeuAc}EMEVNESPEK",spec2_0,"",""
52,"[Phospho]?EM[Oxidation]EVTSESPEK",spec2_0,"",""
53,"[Phospho][Phospho]?[Acetyl]-EM[Oxidation]EVTSESPEK",spec2_0,"just_parse",""
54,"[Phospho]^2?[Acetyl]-EM[Oxidation]EVTSESPEK",spec2_0,"just_parse",""
55,"EM[Oxidation]EVT[#g1]S[#g1]ES[Phospho#g1]PEK",spec2_0,"casing_specific",""
56,"PRT(ESFRMS)[+19.0523]ISK",spec2_0,"",""
57,"PRT(EC[Carbamidomethyl]FRMS)[+19.0523]ISK",spec2_0,"",""
58,"EM[Oxidation]EVT[#g1(0.01)]S[#g1(0.09)]ES[Phospho#g1(0.90)]PEK",spec2_0,"casing_specific",""
59,"[Phospho#s1]?EM[Oxidation]EVT[#s1(0.01)]S[#s1(0.09)]ES[#s1(0.90)]PEK",spec2_0,"casing_specific",""
60,"MPGLVDSNPAPPESQEKKPLK(PCCACPETKKARDACIIEKGEEHCGHLIEAHKECMRALGFKI)[Oxidation][Oxidation][half cystine][half cystine]",spec2_0,"just_parse",""
61,"<13C>ATPEILTVNSIGQLK",spec2_0,"",""
62,"<15N>ATPEILTVNSIGQLK",spec2_0,"",""
63,"<D>ATPEILTVNSIGQLK",spec2_0,"",""
64,"<13C><15N>ATPEILTVNSIGQLK",spec2_0,"",""
65,"<[S-carboxamidomethyl-L-cysteine]@C>ATPEILTCNSIGCLK",spec2_0,"",""
66,"<[MOD:01090]@C>ATPEILTCNSIGCLK",spec2_0,"ignore_warnings",""
67,"<[Oxidation]@C,M>MTPEILTCNSIGCLK",spec2_0,"",""
68,"<[MOD:01090]@C>[Phospho]?EM[Oxidation]EVTSECSPEK",spec2_0,"just_parse",""
69,"<[MOD:01090]@C>[Acetyl]-EM[Oxidation]EVTSECSPEK",spec2_0,"ignore_warnings",""
70,"(?DQ)NGTWEM[Oxidation]ESNENFEGYM[Oxidation]K",spec2_0,"",""
71,"(?N)NGTWEM[Oxidation]ESNENFEGYM[Oxidation]K",spec2_0,"",""
72,"ELV[INFO:AnyString]IS",spec2_0,"casing_specific",""
73,"ELV[info:AnyString]IS",spec2_0,"casing_specific",""
74,"ELVIS[Phospho|INFO:newly discovered]K",spec2_0,"casing_specific",""
75,"ELVIS[Phospho|INFO:newly discovered|INFO:really awesome]K",spec2_0,"casing_specific",""
76,"ELVIS[Phospho|INFO:newly discovered|INFO:Created on 2021-06]K",spec2_0,"casing_specific",""
77,"ELVIS[Phospho|INFO:newly discovered|INFO:Created by software Tool1]K",spec2_0,"casing_specific",""
78,"ELVIS[U:Phospho|+79.966331]K",spec2_0,"",""
79,"ELVIS[U:Phospho|Obs:+79.978]K",spec2_0,"",""
80,"ELVIS[Phospho|O-phospho-L-serine]K",spec2_0,"",""
81,"ELVIS[UNIMOD:21|MOD:00046]K",spec2_0,"",""
82,"ELVIS[UNIMOD:21|Phospho]K",spec2_0,"",""
83,"ELVIS[Phospho|O-phospho-L-serine|Obs:+79.966]K",spec2_0,"",""
84,"ELVIS[Obs:+79.966|Phospho|Sulfo]K",spec2_0,"",""
85,"EMEVEESPEK/2",spec2_0,"","Charge extension"
86,"EM[U:Oxidation]EVEES[U:Phospho]PEK/3",spec2_0,"","Charge extension"
87,"[U:iTRAQ4plex]-EM[U:Oxidation]EVNES[U:Phospho]PEK[U:iTRAQ4plex]-[U:Methyl]/3",spec2_0,"","Charge extension"
88,"EMEVEESPEK/3[+2Na+,+H+]",spec2_0,"casing_specific","Charge extension"
89,"EMEVEESPEK/1[+2Na+,-H+]",spec2_0,"casing_specific","Charge extension"
90,"EMEVEESPEK/-2[2I-]",spec2_0,"casing_specific","Charge extension"
91,"EMEVEESPEK/-1[+e-]",spec2_0,"casing_specific","Charge extension"
92,"EMEVEESPEK/2+ELVISLIVER/3",spec2_0,"","Charge extension and chimeric extension"
93,"{Glycan:Hex}EM[Oxidation]EVNES[Phospho]PEK[iTRAQ4plex]",spec2_0,"",""
94,"[iTRAQ4plex]-EM[Oxidation]EVNES[Phospho]PEK[iTRAQ4plex]-[Methyl]",spec2_0,"",""
95,"[Phospho#s1]?EM[Oxidation]EVT[#s1(0.01)]S[#s1(0.90)]ES[#s1(0.90)]PEK",spec2_0,"just_parse",""
96,"PROT(EOSFORMS)[+19.0523]ISK",spec2_0,"",""
97,"PROT(EOC[Carbamidomethyl]FORMS)[+19.0523]ISK",spec2_0,"",""
98,"SEQUEN[Glycan:HexNAc]CE",spec2_0,"",""
99,"ELVIS[Phospho|+79.966331]K",spec2_0,"",""
100,"ELVIS[Phospho|Obs:+79.978]K",spec2_0,"",""
101,"ELV[INFO:xxxxx]IS",spec2_0,"casing_specific",""
102,"EMEVEESPEK+ELVISLIVER",spec2_0,"","Chimeric extension"
103,"PEP[Oxidation]TIDE",spec2_1,"",""
104,"{Phospho}LAADDFRTK",spec2_1,"",""
105,"[Oxidation]?Q[Gln->pyro-Glu]NHEEEMNALR-[Methyl]",spec2_1,"ignore_warnings",""
106,"(>>IGHG1)TPEVTC[X:Disulfide#XL1]VVVDVSHEDPEV//EYKC[#XL1]KPEP[Oxidation]TIDE/2",spec2_1,"casing_specific",""
107,"AAA/2+ABC/3",spec2_1,"",""
108,"AAA[+1#XL1]//CTCA[#XL1]/3+QWERK/9",spec2_1,"",""
109,"(>>>Isoforms of peptides)PEP[Oxidation]TIDE+PEPTIDE[Oxidation]",spec2_1,"casing_specific",""
110,"AAHCFKUOT",spec2_1,"",""
111,"PEM[Oxidation]AT",spec2_1,"",""
112,"PEM[monohydroxylated residue]AT",spec2_1,"ignore_warnings",""
113,"PEM[UNIMOD:35]AT",spec2_1,"",""
114,"PEM[MOD:00425]AT",spec2_1,"ignore_warnings",""
115,"PEM[+15.995]AT",spec2_1,"",""
116,"[Carbamyl]-QPEPTIDE",spec2_1,"",""
117,"PEPTIDEG-[Methyl]",spec2_1,"",""
118,"{Phospho}EM[U:Oxidation]EV",spec2_1,"",""
119,"MPGNW[Oxidation][Carboxymethyl]PESQE",spec2_1,"",""
120,"PEPTIDEG-[Methyl][Amidated]",spec2_1,"",""
121,"[Acetyl][Carbamyl]-QPEPTIDE",spec2_1,"",""
122,"ELV[INFO:AnyString]IS",spec2_1,"casing_specific",""
123,"BZJX[+1]",spec2_1,"",""
124,"PEM[U:+15.995]AT",spec2_1,"",""
125,"PEX[+147.035]AT",spec2_1,"",""
126,"PEM[Formula:O]AT",spec2_1,"casing_specific",""
127,"PEM[Formula:[17O1]]AT",spec2_1,"casing_specific",""
128,"PEM[+15.995|Oxidation]AT",spec2_1,"",""
129,"[Oxidation]?PEMAT",spec2_1,"",""
130,"PEP[Oxidation#1]M[#1]AT",spec2_1,"",""
131,"PE(PM)[Oxidation]AT",spec2_1,"",""
132,"PEP[Oxidation#1(0.95)]M[#1(0.05)]AT",spec2_1,"",""
133,"P(EP)[Oxidation#1(0.95)]M[#1(0.05)]AT",spec2_1,"just_parse",""
134,"V(?VCH)AT",spec2_1,"",""
135,"PEPM[U:Oxidation]AS[M:O-phospho-L-serine]",spec2_1,"",""
136,"{Phospho#g1}EM[U:Oxidation]EVS[#g1]",spec2_1,"casing_specific",""
137,"{Sulfo#s}HT[#s]T[#s]S[#s]FRGC[#s]",spec2_1,"casing_specific",""
138,"EM[R:L-methionine sulfone]EM[RESID:AA0581]",spec2_1,"casing_specific",""
139,"(>Heavy chain)EVQLVESG",spec2_1,"casing_specific",""
140,"EVTK[X:formaldehyde]LEK[XLMOD:02041]SEF",spec2_1,"",""
141,"EVTK[X:formaldehyde#XL1]LEK[#XL1]SEF",spec2_1,"",""
142,"EVTK[X:formaldehyde#XL1]L//EK[#XL1]SEF",spec2_1,"",""
143,"ED[MOD:00093#BRANCH]//D[#BRANCH]ATR",spec2_1,"ignore_warnings",""
144,"NEEYN[GNO:G59626AS]K",spec2_1,"",""
145,"NEEYN[Glycan:Hex5HexNAc4NeuAc1]K",spec2_1,"",""
146,"NEEYN[Glycan:{C6H12N4O2S1}5HexNAc4NeuAc1]K",spec2_1,"casing_specific",""
147,"NEEYN[Glycan:{+204.068}5HexNAc4NeuAc1]K",spec2_1,"",""
148,"SEQUEN[Formula:Zn1:z+2]CE",spec2_1,"casing_specific",""
149,"PTI(MERMERME)[+32|Position:E]PTIDE",spec2_1,"",""
150,"[Oxidation|Limit:2]^4?PEPTIDE",spec2_1,"just_parse",""
151,"[Oxidation|CoMKP]?PEPT[Phospho]IDE",spec2_1,"",""
152,"PIE(MEME)[Dioxidation|CoMUP][Oxidation|CoMUP]PTE",spec2_1,"just_parse",""
153,"<13C>PEPTIDE",spec2_1,"",""
154,"<[Oxidation]@M>ATPEMILTCMGCLK",spec2_1,"",""
155,"<[TMT6plex]@K,N-term>ATPEILTCNSIGCLK",spec2_1,"",""
156,"NEEYN+SEQUEN",spec2_1,"",""
157,"SEQUEN/2",spec2_1,"",""
158,"SEQUEN/[Na:z+1,H:z+1]",spec2_1,"casing_specific",""
159,"SEQUEN-[b-type-ion]",spec2_1,"",""
160,"NEEYN[Glycan:Hex4{C8H13N1O5Na1:z+1}1HexNAc4NeuAc1]K",spec2_1,"casing_specific",""
161,"EM[Oxidation]EVEES[Phospho]PEK",spec2_1,"",""
162,"EM[L-methionine sulfoxide]EVEES[O-phospho-L-serine]PEK",spec2_1,"",""
163,"EM[R:L-methionine sulfone]EVEES[O-phospho-L-serine]PEK",spec2_1,"",""
164,"EMEVTK[X:DSS#XL1]SESPEK",spec2_1,"",""
165,"NEEYN[GNO:G59626AS]K",spec2_1,"",""
166,"NEEYN[G:G59626AS]K",spec2_1,"","This SHOULD not be used instead use the GNO: prefix"
167,"EM[U:Oxidation]EVEES[U:Phospho]PEK",spec2_1,"",""
168,"EM[M:L-methionine sulfoxide]EVEES[M:O-phospho-L-serine]PEK",spec2_1,"",""
169,"EM[Oxidation]EVEES[O-phospho-L-serine]PEK",spec2_1,"","Different CVs SHOULD not be mixed"
170,"EM[Oxidation]EVE[Cation:Mg[II]]ES[Phospho]PE[Info:comment[with[bracket[]s]]]K",spec2_1,"casing_specific",""
171,"PEL[Oxidation]TIDE",spec2_1,"",""
172,"PEL[Monohydroxylated leucine]TIDE",spec2_1,"",""
173,"PEL[(2S,4R)-5-hydroxyleucine]TIDE",spec2_1,"",""
174,"E[Glu->pyro-Glu]KDTYL",spec2_1,"ignore_warnings",""
175,"HGWVRQAPG[Oxidation]",spec2_1,"ignore_warnings",""
176,"[Acetyl]-EKDTYL",spec2_1,"",""
177,"HGW-[Methyl]",spec2_1,"",""
178,"EM[MOD:00719]EVEES[MOD:00046]PEK",spec2_1,"",""
179,"EM[UNIMOD:35]EVEES[UNIMOD:56]PEK",spec2_1,"",""
180,"EM[+15.9949]EVEES[+79.9663]PEK",spec2_1,"",""
181,"EM[+15.995]EVEES[-18.01]PEK",spec2_1,"",""
182,"[iTRAQ4plex]-EM[Oxidation]EVNES[Phospho]PEK",spec2_1,"",""
183,"[iTRAQ4plex]-EM[Oxidation]EVNES[Phospho]PEK[iTRAQ4plex]-[Methyl]",spec2_1,"",""
184,"PEPTIDEG-[Methyl][Amidated]",spec2_1,"",""
185,"[Acetyl][Carbamyl]-QPEPTIDE",spec2_1,"",""
186,"{Phospho}EM[Oxidation]EVNESPEK[iTRAQ4plex]",spec2_1,"",""
187,"{Hex}EM[Oxidation]EVNES[Phospho]PEK[iTRAQ4plex]",spec2_1,"",""
188,"{Hex}[iTRAQ4plex]-EM[Oxidation]EVNES[Phospho]PEK[iTRAQ4plex]",spec2_1,"",""
189,"{Hex}[iTRAQ4plex]-EM[Oxidation]EVNES[Phospho]PEK[iTRAQ4plex]-[Methyl]",spec2_1,"",""
190,"{Hex}{NeuAc}EMEVNESPEK",spec2_1,"",""
191,"MPGLVDSNW[Oxidation][Carboxymethyl]PAPPESQE",spec2_1,"",""
192,"PEPTIDEG-[Methyl][Amidated]",spec2_1,"",""
193,"[Acetyl][Carbamyl]-QPEPTIDE",spec2_1,"",""
194,"MPGLVDSNPAPPESQEKKPLK(PCCACPETKKARDACIIEKGEEHCGHLIEAHKECMRALGFKI)[Oxidation][Oxidation][half cystine][half cystine]",spec2_1,"just_parse",""
195,"ELV[INFO:AnyString]IS",spec2_1,"casing_specific",""
196,"ELV[info:AnyString]IS",spec2_1,"casing_specific",""
197,"ELVIS[Phospho|INFO:newly discovered]K",spec2_1,"casing_specific",""
198,"ELN[Glycan:Hex1|INFO:WURCS=2.0/1,1,0/[a1211h-1b_1-4]/1/]IS",spec2_1,"casing_specific",""
199,"ELV[INFO:https://doi.org/10.1021/acs.jproteome.1c00771]ISK",spec2_1,"casing_specific",""
200,"ELVIS[Phospho|INFO:newly discovered|INFO:really awesome [new-to-science] #cool]K",spec2_1,"casing_specific",""
201,"ELV[+42#g1|INFO:newly discovered]I[#g1|INFO:awesome]S",spec2_1,"casing_specific",""
202,"[+42#g1]?ELV[INFO:newly discovered|#g1]I[INFO:awesome|#g1]S",spec2_1,"just_parse",""
203,"ELVIS[Phospho|INFO:newly discovered|INFO:Created on 2021-06]K",spec2_1,"",""
204,"ELVIS[Phospho|INFO:newly discovered|INFO:Created by software Tool1]K",spec2_1,"",""
205,"[INFO:FLANK:ELV]-PRECIS-[INFO:FLANK:ELY]",spec2_1,"casing_specific",""
206,"EDTAVYYC(SRWGGDGFAMDY)[Info:CDR3]WGQGTL",spec2_1,"just_parse",""
207,"EM[U:+15.994915]EVEES[U:+79.966331]PEK",spec2_1,"",""
208,"EM[U:+15.994915]EVEES[Obs:+79.978]PEK",spec2_1,"",""
209,"RTAAX[+367.0537]WT",spec2_1,"",""
210,"X[+379.147]UEX[+365.113]",spec2_1,"",""
211,"SEQUEN[Formula:C12H20O2]CE",spec2_1,"casing_specific",""
212,"SEQUEN[Formula:[13C2]CH6N]CE",spec2_1,"casing_specific",""
213,"SEQUEN[Formula:[13C2][12C-2]H2N]CE",spec2_1,"casing_specific",""
214,"ELVIS[U:Phospho|+79.966331]K",spec2_1,"",""
215,"ELVIS[U:Phospho|Obs:+79.978]K",spec2_1,"",""
216,"ELVIS[Phospho|O-phospho-L-serine]K",spec2_1,"",""
217,"ELVIS[UNIMOD:21|MOD:00046]K",spec2_1,"",""
218,"ELVIS[UNIMOD:21|Phospho]K",spec2_1,"",""
219,"ELVIS[Phospho|O-phospho-L-serine|Obs:+79.966]K",spec2_1,"",""
220,"ELVIS[Obs:+79.966|Phospho|Sulfo]K",spec2_1,"",""
221,"[Phospho]?EM[Oxidation]EVTSESPEK",spec2_1,"",""
222,"[Phospho][Phospho]?[Acetyl]-EM[Oxidation]EVTSESPEK",spec2_1,"just_parse",""
223,"[Phospho]^2?[Acetyl]-EM[Oxidation]EVTSESPEK",spec2_1,"just_parse",""
224,"EM[Oxidation]EVT[#g1]S[#g1]ES[Phospho#g1]PEK",spec2_1,"just_parse",""
225,"EM[Oxidation]EVT[#g1]S[#g1]ES[Phospho#g1][Formyl]PEK",spec2_1,"just_parse",""
226,"EM[Oxidation]EVT[#g1]S[#g1]ES[Phospho#g1][Formyl#g2]PEK[#g2]",spec2_1,"just_parse",""
227,"PRT(ESFRMS)[+19.0523]ISK",spec2_1,"",""
228,"PRT(EC[Carbamidomethyl]FRMS)[+19.0523]ISK",spec2_1,"",""
229,"EM[Oxidation]EVT[#g1(0.01)]S[#g1(0.09)]ES[Phospho#g1(0.90)]PEK",spec2_1,"just_parse",""
230,"[Phospho#s1]?EM[Oxidation]EVT[#s1(0.01)]S[#s1(0.09)]ES[#s1(0.90)]PEK",spec2_1,"just_parse",""
231,"PRT(ESFRMS)[+19.0523#g1(0.01)]ISK[#g1(0.99)]",spec2_1,"just_parse",""
232,"PR[#g1(0.91)]T(EC[Carbamidomethyl]FRMS)[+19.05233#g1(0.09)]ISK",spec2_1,"just_parse",""
233,"ENFEG(?DQ)NGTWEM[Oxidation]ESNYM[Oxidation]K",spec2_1,"",""
234,"ENFEG(?N)NGTWEM[Oxidation]ESNYM[Oxidation]K",spec2_1,"",""
235,"ENX[+243.086]KL",spec2_1,"",""
236,"EN(?GGE)KL",spec2_1,"",""
237,"EN(?G[+100.00]GE)KL",spec2_1,"",""
238,"EN(?G[+100.00#g1]G[#g1]E[#g1])KL",spec2_1,"just_parse",""
239,"[+100.00#g1]?EN(?G[#g1]G[#g1]E[#g1])KL",spec2_1,"just_parse",""
240,"EN(?GGE)[+100.00]KL",spec2_1,"",""
241,"EN(?GGEX[+100.00])KL",spec2_1,"",""
242,"EM[U:Oxidation]EVEES[U:Phospho]PEK",spec2_1,"",""
243,"EM[M:L-methionine sulfoxide]EVEES[M:O-phospho-L-serine]PEK",spec2_1,"",""
244,"{HexNAc#g1}PEPN[#g1]ITE",spec2_1,"casing_specific",""
245,"{Hex#g1}{Sulfo#s}[#g1]-PN[#g1]KS[#s]C[#s]M",spec2_1,"casing_specific",""
246,"{Glycan:Hex5HexNAc5#g1}PEPSTAT[#g1]IS[#g1]T[#g1]ICS[#g1]S[#g1]T[#g1]RIKES[#g1]IT[#g1]ES[#g1]",spec2_1,"casing_specific",""
247,"EM[RESID:AA0581]EVEES[RESID:AA0037]PEK",spec2_1,"casing_specific",""
248,"(>My (very) nice peptide)PEPTIDE", spec2_1, "casing_specific", ""
249,"(>Interesting ]][ yes | [valid] #description_not_tag)PEPTIDE", spec2_1, "casing_specific", ""
250,"(>Trypsin)AANSIPYQVSLNS+(>Keratin)AKEQFERQTA",spec2_1,"casing_specific",""
251,"(>P07225 Vitamin K-dependent protein S OS=Homo sapiens OX=9606 GN=PROS1 PE=1 (SV=1) RANGE=12..42)GGK[xlink:dss[138]#XLDSS]IEVQLK//(>P07225 Vitamin K-dependent protein S OS=Homo sapiens OX=9606 GN=PROS1 PE=1 SV=1)KVESELIK[#XLDSS]PINPR",spec2_1,"casing_specific",""
252,"(>>>Trastuzumab Fab and coeluting Fc)(>>Fab)(>Heavy chain)EVQLVESGGGLVQPGGSLRLSC[M:l-cystine (cross-link)#XL1]AASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYC[#XL1]SRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGC[M:l-cystine (cross-link)#XL2]LVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYIC[#XL2]NVNHKPSNTKVDKKVEPKSC[M:l-cystine (cross-link)#XL3]DKT//(>Light chain)DIQMTQSPSSLSASVGDRVTITC[M:l-cystine (cross-link)#XL4]RASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYC[#XL4]QQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVC[M:l-cystine (cross-link)#XL5]LLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYAC[#XL5]EVTHQGLSSPVTKSFNRGEC[#XL3]+(>Fc)HTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK",spec2_1,"casing_specific",""
253,"EMEVTK[XLMOD:02001#XL1]SESPEK[#XL1]",spec2_1,"",""
254,"EMK[XLMOD:02000#XL1]EVTKSE[XLMOD:02010#XL2]SK[#XL1]PEK[#XL2]AR",spec2_1,"",""
255,"EMEVTK[XLMOD:02001#XL1]SESPEK",spec2_1,"",""
256,"EMEVTK[XLMOD:02001]SESPEK",spec2_1,"",""
257,"SEK[XLMOD:02001#XL1]UENCE//EMEVTK[XLMOD:02001#XL1]SESPEK",spec2_1,"",""
258,"SEK[XLMOD:02001#XL1]UENCE//EMEVTK[#XL1]SESPEK",spec2_1,"",""
259,"EVTSEKC[MOD:00034#XL1]LEMSC[#XL1]EFD",spec2_1,"ignore_warnings",""
260,"EVTSEKC[L-cystine (cross-link)#XL1]LEMSC[#XL1]EFD",spec2_1,"ignore_warnings",""
261,"FVNQHLC[MOD:00034#XL1]GSHLVEALYLVC[MOD:00034#XL2]GERGFFYTPKA//GIVEQC[MOD:00034#XL3]C[#XL1]TSIC[#XL3]SLYQLENYC[#XL2]N",spec2_1,"ignore_warnings",""
262,"EVTSEKC[XLMOD:02009#XL1]LEMSC[#XL1]EFD",spec2_1,"",""
263,"EVTSEKC[X:Disulfide#XL1]LEMSC[#XL1]EFD",spec2_1,"",""
264,"EVTSEKC[UNIMOD:2020#XL1]LEMSC[#XL1]EFD",spec2_1,"ignore",""
265,"EVTSEKC[Xlink:Disulfide#XL1]LEMSC[#XL1]EFD",spec2_1,"ignore",""
266,"EVTSEKC[Xlink:Disulfide#XL1]LEK//MSC[#XL1]EFDR",spec2_1,"ignore",""
267,"EVTSEKC[half cystine]LEMSC[half cystine]EFD",spec2_1,"",""
268,"EVTSEKC[MOD:00798]LEMSC[MOD:00798]EFDEVTSEKC[MOD:00798]LEMSC[MOD:00798]EFD",spec2_1,"",""
269,"EVTSEKC[UNIMOD:374]LEMSC[UNIMOD:374]EFD",spec2_1,"",""
270,"EVTSEKC[Dehydro]LEMSC[Dehydro]EFD",spec2_1,"",""
271,"EVTSEKC[Dehydro#XL1]LEMSC[#XL1][Dehydro]EFD",spec2_1,"","Should not be used"
272,"ETFGD[MOD:00093#BRANCH]//D[#BRANCH]ATER",spec2_1,"ignore_warnings",""
273,"AVTKYTSSK[MOD:00134#BRANCH]//AGKQLEDGRTLSDYNIQKESTLHLVLRLRG-[#BRANCH]",spec2_1,"ignore_warnings",""
274,"AVTKYTSSK[MOD:00134#BRANCH]//GG-[#BRANCH]",spec2_1,"ignore_warnings",""
275,"AVTKYTSSK[GG]",spec2_1,"ignore_warnings",""
276,"NEEYN[GNO:G59626AS]K",spec2_1,"",""
277,"YPVLN[GNO:G62765YT]VTMPN[GNO:G02815KT]NSNGKFDK",spec2_1,"",""
278,"SEQUEN[Glycan:HexNAc1Hex2]CE",spec2_1,"",""
279,"SEQUEN[Glycan:{+203.079}1Hex2]CE",spec2_1,"",""
280,"SEQUEN[Glycan:{C8H13N1O5}1Hex2]CE",spec2_1,"casing_specific",""
281,"SEQUEN[Glycan:{C8H13[15N1]O5}1Hex2]CE",spec2_1,"casing_specific",""
282,"SEQUEN[Glycan:{C8H13N1O5Na1:z+1}1Hex2]CE",spec2_1,"casing_specific",""
283,"SEQUEN[Formula:Zn1:z+2]CE",spec2_1,"casing_specific",""
284,"SEQUEN[Glycan:{C8H13N1O5Na1:z+1}1Hex2]CE",spec2_1,"casing_specific",""
285,"[Formula:Zn:z+2|Position:N-term,C-term]^5[Carbamidomethyl|Position:C]^5?MDPETCPCPSGGSCTCADSCKCEGCKCTSCKKSCCSCCPAECEKCAKDCVCKGGEAAEAEAEKCSCCQ",spec2_1,"just_parse",""
286,"PEPTI(MERMERMERM)[Oxidation|Position:M][Oxidation|Position:M]DE",spec2_1,"just_parse",""
287,"PEPTI(MERMERMERM)[+32|Position:E]PEPTIDE",spec2_1,"",""
288,"[Oxidation]^4?PEPTIDE",spec2_1,"just_parse",""
289,"[Oxidation|Limit:2]^4?PEPTIDE",spec2_1,"just_parse",""
290,"[Oxidation|CoMKP]?PEPT[Phospho]IDE",spec2_1,"",""
291,"PETIEM[Dioxidation#1][Oxidation#2]REM[#1][#2]REM[#2]RM[#1]PEPTIDE",spec2_1,"just_parse",""
292,"[Oxidation#1][Oxidation#2]?PTIM[#1][#2]ERM[#1][#2]ERM[#1][#2]ERM[#1][#2]DE",spec2_1,"just_parse",""
293,"PETIE(MEME)[Dioxidation|CoMUP][Oxidation|CoMUP]P",spec2_1,"just_parse",""
294,"PEPTIEM[Dioxidation][Oxidation]EMEP",spec2_1,"",""
295,"<13C>ATPEILTVNSIGQLK",spec2_1,"",""
296,"<15N>ATPEILTVNSIGQLK",spec2_1,"",""
297,"<D>ATPEILTVNSIGQLK",spec2_1,"",""
298,"<2H>ATPEILTVNSIGQLK",spec2_1,"",""
299,"<12C>ATPEILTVNSIGQLK",spec2_1,"",""
300,"<13C><15N>ATPEILTVNSIGQLK",spec2_1,"",""
301,"<12C>ATPEILTVNS[Formula:C-1[13C1]]IGQLK",spec2_1,"casing_specific",""
302,"<[S-carboxamidomethyl-L-cysteine]@C>ATPEILTCNSIGCLK",spec2_1,"",""
303,"<[MOD:01090]@C>ATPEILTCNSIGCLK",spec2_1,"ignore_warnings",""
304,"<[Oxidation]@C,M>MTPEILTCNSIGCLK",spec2_1,"",""
305,"<[TMT6plex]@K,N-term>ATPEILTCNSIGCLK",spec2_1,"",""
306,"<[Oxidation]@W,C-term:G>QATPEILTWCNSIGCLKG",spec2_1,"",""
307,"<[Gln->pyro-Glu]@N-term:Q><[Oxidation]@W,C-term:G>QATPEILTWCNSIGCLKG",spec2_1,"",""
308,"<[Amidated]@C-term>QATPEILTWCNSIGCLKG",spec2_1,"",""
309,"QATPEILTWCNSIGCLKG-[Amidated]",spec2_1,"",""
310,"<[Oxidation]@C,M>EPELVESGGGLAQP",spec2_1,"",""
311,"EPELVESGGGLAQP",spec2_1,"",""
312,"EMEVEESPEK/2+ELVISLIVER/3",spec2_1,"",""
313,"PEPTIDE+OTHERPEPTIDE",spec2_1,"",""
314,"PEPTIDE/2",spec2_1,"",""
315,"PEPTIDE/[Na:z+1]",spec2_1,"casing_specific",""
316,"PEPTIDE/[Na:z+1,H:z+1]",spec2_1,"casing_specific",""
317,"PEPTIDE/[[15N1]H4:z+1]",spec2_1,"casing_specific",""
318,"PEPTIDE/[Na:z+1^2]",spec2_1,"casing_specific",""
319,"PEPT[Formula:Zn:z+2]IDE/[Na:z+1^2]",spec2_1,"casing_specific",""
320,"PEPTID-[a-type-ion]/1",spec2_1,"",""
321,"PEPTID-[b-type-ion]/1",spec2_1,"",""
322,"PEPTID[Formula:H-1C-1O-2|INFO:d-ion]-[a-type-ion]",spec2_1,"casing_specific",""
323,"SFFLYSKLTVDKSRWQQGNV/3",spec2_1,"",""
324,"SFFLYSKLTV-[b-type-ion]/2",spec2_1,"",""
325,"[z-type-ion]-SFFLYSKLTV-[b-type-ion]/2",spec2_1,"",""
326,"AA",example,"",""
327,"A[+1]",example,"",""
328,"AA[+1]",example,"",""
329,"A(AAAA)[+1][+2]",example,"just_parse",""
330,"UWAKJDNLASNOIJPojkjjdakjn[U:Oxidation]",example,"",""
331,"[+1]-A[+1]-[+1]",example,"",""
332,"AA+AA",example,"",""
333,"A[X:DSS#XL1]//B[#XL1]+C[X:DSS#XL1]//D[#XL1]",example,"ignore_warnings",""
334,"<[Carbamidomethyl]@C>ATPEILTCNSIGCLK",example,"",""
335,"<[TMT6plex]@K,N-term>ATPEILTCNSIGCLK",example,"ignore_warnings",""
336,"<[TMT6plex]@K,N-term:A>ATPEILTCNSIGCLK",example,"ignore_warnings",""
337,"<[TMT6plex]@K,N-term:A,N-term:B>ATPEILTCNSIGCLK",example,"ignore_warnings",""
338,"AA(?AA)",example,"",""
339,"AA(?AA)AA",example,"",""
340,"[dehydro]^3?[gln->pyro-glu]-QSC",example,"just_parse",""
341,"[deamidated#1]-FEEAQ[#1]A",example,"",""
342,"[#1]-FEEAQ[deamidated#1]A",example,"",""
343,"AHAM[oxidation#1]TEG-[#1]",example,"",""
344,"AHAM[#1]TEG-[oxidation#1]",example,"",""
345,"<[Oxidation]@M><[Deamidated]@N>AAMNM",example,"",""
346,"AHAFCKUTO",example,"",""
347,"PEM[Oxidation]AT",example,"",""
348,"PEM[monohydroxylated residue]AT",example,"ignore_warnings",""
349,"PEM[UNIMOD:35]AT",example,"",""
350,"PEM[MOD:425]AT",example,"ignore_warnings",""
351,"PEM[+15.995]AT",example,"",""
352,"[Carbamyl]-QPEPTIDE",example,"",""
353,"PEPTIDEG-[Methyl]",example,"",""
354,"MPGNW[Oxidation][Carboxymethyl]PESQE",example,"",""
355,"PEPTIDEG-[Methyl][Amidated]",example,"",""
356,"[Acetyl][Carbamyl]-QPEPTIDE",example,"",""
357,"PEM[U:+15.995]AT",example,"",""
358,"PEX[+147.035]AT",example,"",""
359,"PEM[Formula:O]AT",example,"casing_specific",""
360,"PEM[Formula:[17O1]]AT",example,"casing_specific",""
361,"PEM[+15.995|Oxidation]AT",example,"",""
362,"[Oxidation]?PEMAT",example,"",""
363,"PEP[Oxidation#1]M[#1]AT",example,"",""
364,"PE(PM)[Oxidation]AT",example,"",""
365,"PEP[Oxidation#1(0.95)]M[#1(0.05)]AT",example,"",""
366,"(PEP)[Oxidation#1(0.95)]M[#1(0.05)]AT",example,"just_parse",""
367,"(?VCH)AT",example,"",""
368,"PEPM[U:Oxidation]AS[M:O-phospho-L-serine]",example,"",""
369,"EM[R:L-methionine sulfone]EM[RESID:AA0581]",example,"casing_specific",""
370,"(>Heavy chain)EVQLVESG",example,"casing_specific",""
371,"ED[MOD:00093#BRANCH]//D[#BRANCH]ATR",example,"casing_specific",""
372,"NEEYN[Glycan:Hex5HexNAc4NeuAc1]K",example,"",""
373,"NEEYN[Glycan:Hex5HexNAc4NeuAc1{C8H13[15N1]O5}1]K",example,"casing_specific",""
374,"NEEYN[Glycan:Hex5HexNAc4NeuAc1{C8H13N1O5Na1:z+1}1]K",example,"casing_specific",""
375,"SEQUEN[Formula:Zn1:z+2]CE",example,"casing_specific",""
376,"PTI(MERMERME)[+32|Position:E]PTIDE",example,"",""
377,"[Oxidation|Limit:2]^4?PEPTIDE",example,"just_parse",""
378,"[Oxidation|CoMKP]?PEPT[Phospho]IDE",example,"",""
379,"PIE(MEME)[Dioxidation|CoMUP][Oxidation|CoMUP]PTE",example,"just_parse",""
380,"<13C>CARBON",example,"",""
381,"<[Oxidation]@M>ATPEMILTCMGCLK",example,"",""
382,"NEEYN+SEQUEN",example,"",""
383,"SEQUEN/2",example,"",""
384,"SEQUEN/[Na:z+1,H:z+1]",example,"casing_specific",""
385,"SEQUEN-[b-type-ion]",example,"",""
386,"SEK[XLMOD:1711]UENC",example,"ignore_warnings","Note that the name of this modification cannot be written thanks to the unpaired ["
387,"SEK[XLMOD:09070]UENC",example,"ignore","Note that the name of this modification cannot be written thanks to the unpaired ["
388,"<[TMT6plex]@W,N-term>ATPEILTWNSIGCLK",example,"just_parse",""
389,"A[+1#XL1]A//A[#XL1]A/2",example,"",""
);