0
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1 adduit -2H+Na+K 59.9378259
|
|
2 adduit H 1.007825032
|
|
3 adduit -H+K 37.95588165
|
|
4 adduit -H+Na 21.98194425
|
|
5 adduit -3H+3Na 65.94583274
|
|
6 adduit -4H+4K 151.8235266
|
|
7 adduit -4H+4Na 87.92777699
|
|
8 adduit -3H+3K 113.8676449
|
|
9 adduit -2H+2K 75.9117633
|
|
10 adduit -2H+2Na 43.9638885
|
|
11 adduit 2H 2.015650064
|
|
12 adduit Cl 34.96885268
|
|
13 adduit -2H+Ca 37.94694092
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14 isotope 13C db 0.501677419
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15 isotope 13C 1.003354838
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16 isotope 15N 0.997034893
|
|
17 isotope 18O 2.00424638
|
|
18 isotope 34S 1.9957959
|
|
19 isotope 41K 1.99811908
|
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20 isotope 37Cl 1.99704991
|
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21 isotope 13C2 2.006709676
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22 isotope 13C3 3.010064513
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23 isotope 13C+37Cl 3.000404748
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24 isotope 13C+18O 3.007601218
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25 isotope 13C+34S 2.999150738
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26 isotope 44Ca 3.99289082
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27 adduit CH3OH 32.02621475
|
|
28 adduit CH3CN 41.0265491
|
|
29 adduit H2O 18.01056468
|
|
30 adduit 2(H2O 36.02112937
|
|
31 adduit NaCl 57.95862196
|
|
32 adduit HCOOH 46.0054793
|
|
33 adduit +(HCOOH)+(HCOOK) 129.9668403
|
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34 adduit +(HCOOH)+(HCOONa) 113.9929029
|
|
35 adduit +(HCOOH)+2(HCOONa) 181.9803264
|
|
36 adduit HCOOK 83.96136095
|
|
37 adduit +(HCOOK)+(HCOONa) 151.9487845
|
|
38 adduit HCOONa 67.98742355
|
|
39 adduit 2(HCOOH) 92.01095861
|
|
40 adduit +2(HCOOH)+(HCOOK) 175.9723196
|
|
41 adduit +2(HCOOH)+(HCOONa) 159.9983822
|
|
42 adduit 2(HCOOK) 167.9227219
|
|
43 adduit 2(HCOONa) 135.9748471
|
|
44 fragment C11H18O9 294.0950822
|
|
45 fragment C12H16O12 352.064176
|
|
46 fragment C12H20O9 308.1107322
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|
47 fragment C2H2O 42.01056468
|
|
48 fragment C2H3. 27.0229265
|
|
49 fragment C2H3N 41.0265491
|
|
50 fragment C2H3NO3 89.01129296
|
|
51 fragment C2H3O. 43.01784112
|
|
52 fragment C2H4 28.03130013
|
|
53 fragment C2H4N. 42.03382553
|
|
54 fragment C2H4O 44.02621475
|
|
55 fragment C2H5. 29.03857656
|
|
56 fragment C2H5N 43.04219916
|
|
57 fragment C2H5NO2 75.0320284
|
|
58 fragment C2H5O. 45.03349118
|
|
59 fragment C2H5O6P 155.9823745
|
|
60 fragment C2H6 30.04695019
|
|
61 fragment C2H7N 45.05784922
|
|
62 fragment C2HNO2 71.00072827
|
|
63 fragment C3H4O3 88.01604399
|
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64 fragment C3H5. 41.03857656
|
|
65 fragment C3H5NO2 87.0320284
|
|
66 fragment -(C3H5O2NS)-(NH3) 136.0306485
|
|
67 fragment C3H5O2NS 119.0040994
|
|
68 fragment C3H6 42.04695019
|
|
69 fragment C3H6O3 90.03169405
|
|
70 fragment C3H7. 43.05422662
|
|
71 fragment C3H7O2N 89.04767846
|
|
72 fragment C3H7O2NS 121.0197495
|
|
73 fragment C3H7O6P 169.9980246
|
|
74 fragment C4H6 54.04695019
|
|
75 fragment C4H6O2 86.03677943
|
|
76 fragment C4H6O4 118.0266087
|
|
77 fragment C4H7. 55.05422662
|
|
78 fragment C4H8O3 104.0473441
|
|
79 fragment C4H9 57.07042529
|
|
80 fragment C5H7O3N 129.0425931
|
|
81 fragment C5H8O3NS 162.0224891
|
|
82 fragment C5H8O4 132.0422587
|
|
83 fragment C6H10O4 146.0579088
|
|
84 fragment -(C6H10O5)-(H2O) 180.0633881
|
|
85 fragment C6H10O5 162.0528234
|
|
86 fragment C6H10O7 194.0426527
|
|
87 fragment C6H8O6 176.032088
|
|
88 fragment CH2O 30.01056468
|
|
89 fragment -(CH2S)-(HCOOH) 91.99320037
|
|
90 fragment -(CH2S)-(NH3) 63.01427016
|
|
91 fragment CH2S 45.98772106
|
|
92 fragment CH3. 15.0229265
|
|
93 fragment CH3COO. 59.01275574
|
|
94 fragment CH3COOH 60.02112937
|
|
95 fragment CH3N 29.0265491
|
|
96 fragment CH3O. 31.01784112
|
|
97 fragment CH3OH 32.02621475
|
|
98 fragment CH4 16.03130013
|
|
99 fragment CH4N. 30.03382553
|
|
100 fragment -(CH4S)-(HCOOH) 94.00885043
|
|
101 fragment -(CH4S)-(NH3) 65.02992022
|
|
102 fragment CH4S 48.00337113
|
|
103 fragment CH5N 31.04219916
|
|
104 fragment Cl. 34.96830408
|
|
105 fragment CO 27.99491462
|
|
106 fragment -(CO2)-(CO) 71.98474386
|
|
107 fragment CO2 43.98982924
|
|
108 fragment -(H2)-(NH3) 19.04219916
|
|
109 fragment H2 2.015650064
|
|
110 fragment -(H2O)-(CO2) 62.00039392
|
|
111 fragment -(H2O)-(HCOOH) 64.01604399
|
|
112 fragment -(H2O)-(NH3) 35.03711378
|
|
113 fragment H2O 18.01056468
|
|
114 fragment -(H2O)-2(CO2) 105.9902232
|
|
115 fragment -(H2S)-(H2O) 51.99828575
|
|
116 fragment H2S 33.98772106
|
|
117 fragment H2SO4 97.96737954
|
|
118 fragment H3PO4 97.97689521
|
|
119 fragment HCl 35.97667771
|
|
120 fragment HCN 27.01089903
|
|
121 fragment -(HCOOH)-(HCN) 73.01637834
|
|
122 fragment HCOOH 46.0054793
|
|
123 fragment HS. 32.97934743
|
|
124 fragment -(NC3H9)-(CH3COOH) 119.0946287
|
|
125 fragment -(NC3H9)-(H2O) 77.08406397
|
|
126 fragment -(NC3H9)-(HCOOH) 105.0789786
|
|
127 fragment NC3H9 59.07349929
|
|
128 fragment NaCl 57.95862196
|
|
129 fragment NH2CO. 44.01309008
|
|
130 fragment -(NH3)-(CO2)-(H2O) 79.02694302
|
|
131 fragment -(NH3)-(CO2) 61.01637834
|
|
132 fragment -(NH3)-(CONH) 60.03236275
|
|
133 fragment -(NH3)-(HCOOH) 63.0320284
|
|
134 fragment NH3 17.0265491
|
|
135 fragment NH3CO 45.02146372
|
|
136 fragment NHCO 43.00581365
|
|
137 fragment OH. 17.00219105
|
|
138 fragment PO3 78.95850549
|
|
139 fragment SO2 63.96190024
|
|
140 fragment SO3 79.95681486
|
|
141 fragment -2(H2O)-(CO2) 80.01095861
|
|
142 fragment -2(H2O)-(HCOOH)-(NH3) 99.05315777
|
|
143 fragment -2(H2O)-(HCOOH) 82.02660867
|
|
144 fragment 2(H2O) 36.02112937
|
|
145 fragment 2(HCOOH) 92.01095861
|
|
146 fragment -2(NH3)-(CO)-(CO2) 106.0378421
|
|
147 fragment -2(NH3)-(CO) 62.04801281
|
|
148 fragment 2(NH3) 34.05309819
|
|
149 fragment 3(H2O) 54.03169405
|
|
150 fragment 3(NH3) 51.07964729
|
|
151 fragment 4(H2O) 72.04225874
|
|
152 fragment C10H11O3N5 249.0861892
|
|
153 fragment C10H13O4N5 267.0967539
|
|
154 fragment C10H14O7N5P 347.0630844
|
|
155 fragment C10H15O5N5 285.1073186
|
|
156 fragment C2H3NO2 73.01637834
|
|
157 fragment C2H4O2 60.02112937
|
|
158 fragment C2H5NO3 91.02694302
|
|
159 fragment C2H6O2 62.03677943
|
|
160 fragment C2H6O3 78.03169405
|
|
161 fragment -(C2H6O3)-(H2O) 96.04225874
|
|
162 fragment C2H6O4 94.02660867
|
|
163 fragment C2H7NO2 77.04767846
|
|
164 fragment C3H10O5 126.0528234
|
|
165 fragment -(C3H6O3)-(CHNO) 133.0375077
|
|
166 fragment C3H6O4 106.0266087
|
|
167 fragment C3H8O3 92.04734412
|
|
168 fragment C3H8O4 108.0422587
|
|
169 fragment C4H10O5 138.0528234
|
|
170 fragment C4H5NO3 115.026943
|
|
171 fragment C4H8O4 120.0422587
|
|
172 fragment C5H10O4 134.0579088
|
|
173 fragment C5H13O4N 151.0844579
|
|
174 fragment C6H11O4N 161.0688078
|
|
175 fragment C6H11O5N 177.0637225
|
|
176 fragment C6H13O5N 179.0793725
|
|
177 fragment C5H10O5 150.0528234
|
|
178 fragment C5H10O6 166.047738
|
|
179 fragment C5H12O2 104.0837296
|
|
180 fragment -(C5H12O2)-(H2O) 122.0942943
|
|
181 fragment C5H5N5 135.0544952
|
|
182 fragment C5H5ON5 151.0494098
|
|
183 fragment C5H6O2 98.03677943
|
|
184 fragment C5H7O2N5 169.0599745
|
|
185 fragment -(C5H7O3N)-(CO2) 173.0324223
|
|
186 fragment -(C5H7O3N)-(H2O) 147.0531578
|
|
187 fragment C5H8N3 110.0718223
|
|
188 fragment C5H8O3 116.0473441
|
|
189 fragment C5H8O5N5P 249.026305
|
|
190 fragment C5H9O3 117.0551691
|
|
191 fragment C5H9O6P 196.0136746
|
|
192 fragment C5H9O7P 212.0085893
|
|
193 fragment C6H10O3 130.0629942
|
|
194 fragment -(C6H10O3)-(H2O) 148.0735589
|
|
195 fragment C6H11O4N3PS 252.0207885
|
|
196 fragment C6H11O4NPS 224.0146405
|
|
197 fragment C6H12O5 164.0684735
|
|
198 fragment C6H14O6 182.0790382
|
|
199 fragment C6H14O7 198.0739528
|
|
200 fragment C6H16O7 200.0896029
|
|
201 fragment C6H16O8 216.0845175
|
|
202 fragment C6H8N3 122.0718223
|
|
203 fragment C6H8NS 126.0377453
|
|
204 fragment C7H5ON5 175.0494098
|
|
205 fragment C7H6ON6 190.0603088
|
|
206 fragment C7H7O2N5 193.0599745
|
|
207 fragment C7H11O6N 205.0586371
|
|
208 fragment C8H14O7 222.0739528
|
|
209 fragment C8H5O3N5 219.039239
|
|
210 fragment C8H7O4N5 237.0498037
|
|
211 fragment C9H10O4N2 210.0640568
|
|
212 fragment C9H11O3N3 209.0800412
|
|
213 fragment C9H11O4N3 225.0749558
|
|
214 fragment C9H12O5N2 228.0746215
|
|
215 fragment C9H12O6N3P 289.0463717
|
|
216 fragment C9H13O4N3 227.0906059
|
|
217 fragment C9H14O7N3P 307.0569364
|
|
218 fragment C9H16O8 252.0845175
|
|
219 fragment CH2N2 42.02179806
|
|
220 fragment -(CH2O)-(H2O) 48.02112937
|
|
221 fragment CH5NO 47.03711378
|
|
222 fragment -(H3PO4)-(CHNO) 140.9827089
|
|
223 fragment -(H3PO4)-(H2O) 115.9874599
|
|
224 fragment -(H3PO4)-(NH3) 115.0034443
|
|
225 fragment HPO3 79.96633052
|