(a)
|
VIP > 1
|
Var ID (Primary)
|
Ion
|
RT (min)
|
Experimental Precursor Ions (m/z)
|
Experimental MS-MS Fragment Ions (m/z)
|
1.66 |
492 |
[M + H]+
|
1.44 |
193.087 |
165.092, 162.068, 147.044, 135.044, 133.065, 105.071 |
1.62 |
493 |
[M + H]+
|
1.50 |
151.076 |
|
1.91 |
428 |
[M + H]+
|
1.55 |
446.203 |
|
1.66 |
399 |
[M + H]+
|
1.55 |
105.070 |
|
1.83 |
359 |
[M + H]+
|
1.56 |
122.096 |
106.073, 105.070, 103.054 |
1.79 |
396 |
[M + H]+
|
1.57 |
266.139 |
|
1.78 |
397 |
[M + H]+
|
1.57 |
284.150 |
268.145, 267.143, 266.139, 249.132, 248.129, 164.107, 134.097, 105.070 |
1.77 |
451 |
[M + H]+
|
1.57 |
267.142 |
|
1.72 |
431 |
[M + H]+
|
1.80 |
392.133 |
|
1.71 |
401 |
[M + H]+
|
1.80 |
225.110 |
181.084, 165.055, 139.076, 121.065 |
1.15 |
490 |
[M + H]+
|
1.80 |
234.150 |
191.105, 189.091, 122.032, 121.029, 114.128 |
1.08 |
276 |
[M + H]+
|
3.03 |
362.327 |
|
1.07 |
120 |
[M + H]+
|
4.94 |
310.311 |
|
1.03 |
188 |
[M + H]+
|
4.95 |
695.361 |
|
1.08 |
226 |
[M + H]+
|
5.04 |
637.307 |
|
1.03 |
216 |
[M + H]+
|
5.04 |
695.360 |
659.294, 581.245, 359.032, 330.992, 289.006, 135.004 |
1.47 |
416 |
[M + H]+
|
5.13 |
358.309 |
178.945, 177.013, 136.006, 135.003, 132.987, 123.117, 120.987, 105.068, 104.992 |
1.22 |
418 |
[M + H]+
|
5.13 |
336.327 |
|
1.05 |
470 |
[M + H]+
|
5.27 |
371.102 |
|
1.57 |
19 |
[M + H]+
|
5.54 |
360.324 |
358.365, 135.004 |
1.56 |
124 |
[M + H]+
|
5.54 |
321.316 |
|
1.55 |
8 |
[M + H]+
|
5.54 |
338.343 |
|
1.52 |
107 |
[M + H]+
|
5.54 |
675.678 |
338.343, 321.316, 303.305, 149.133, 135.117, 111.117, 97.102 |
1.05 |
444 |
[M + H]+
|
6.07 |
679.366 |
|
1.45 |
410 |
[M + H]+
|
6.09 |
366.374 |
|
1.15 |
78 |
[M − H]-
|
1.00 |
668.224 |
|
1.17 |
50 |
[M − H]-
|
1.69 |
495.183 |
|
1.63 |
60 |
[M − H]-
|
1.73 |
493.168 |
|
1.57 |
39 |
[M − H]-
|
1.82 |
119.114 |
|
1.66 |
42 |
[M − H]-
|
1.83 |
353.112 |
227.051, 211.030, 190.984, 166.013, 165.009, 147.014, 120.048, 119.046 |
1.27 |
31 |
[M − H]-
|
1.83 |
147.098 |
|
1.16 |
29 |
[M − H]-
|
1.83 |
165.102 |
|
1.41 |
46 |
[M − H]-
|
1.86 |
206.118 |
|
1.15 |
45 |
[M − H]-
|
2.37 |
201.075 |
|
(b)
|
VIP > 1
|
Var ID (Primary)
|
Ion
|
RT (min)
|
Experimental Precursor Ions (m/z)
|
Experimental MS-MS Fragment Ions (m/z)
|
1.62 |
126 |
[M + H]+
|
1.03 |
365.106 |
|
1.32 |
475 |
[M + H]+
|
1.13 |
174.149 |
|
1.32 |
283 |
[M + H]+
|
1.30 |
365.106 |
|
1.44 |
301 |
[M + H]+
|
1.41 |
203.053 |
|
1.33 |
348 |
[M + H]+
|
1.69 |
365.106 |
|
1.44 |
521 |
[M + H]+
|
1.81 |
351.142 |
|
1.46 |
502 |
[M + H]+
|
1.82 |
317.114 |
|
1.46 |
502 |
[M + H]+
|
1.82 |
317.114 |
|
1.33 |
501 |
[M + H]+
|
1.97 |
227.083 |
210.074, 209.071, 199.087, 181.076, 154.065 |
1.36 |
517 |
[M + H]+
|
1.99 |
521.272 |
519.256, 518.236, 517.228, 366.109, 365.106, 285.887, 218.941, 203.050, 185.042, 140.070, 135.004, 132.985 |
1.46 |
528 |
[M + H]+
|
2.01 |
301.118 |
|
1.46 |
528 |
[M + H]+
|
2.01 |
301.118 |
|
1.46 |
528 |
[M + H]+
|
2.01 |
301.118 |
|
1.46 |
528 |
[M + H]+
|
2.01 |
301.118 |
|
1.27 |
479 |
[M + H]+
|
2.05 |
321.131 |
319.210, 319.161, 281.016, 279.020, 187.060, 142.948 |
1.30 |
388 |
[M + H]+
|
2.08 |
183.091 |
182.154, 155.047, 127.016, 98.984 |
1.35 |
516 |
[M + H]+
|
2.11 |
551.283 |
|
1.41 |
483 |
[M + H]+
|
4.91 |
439.375 |
|
1.43 |
421 |
[M + H]+
|
5.27 |
367.319 |
|
1.51 |
503 |
[M + H]+
|
5.35 |
393.334 |
|
1.80 |
478 |
[M + H]+
|
5.49 |
467.408 |
|
1.25 |
520 |
[M + H]+
|
5.73 |
481.387 |
|
1.00 |
486 |
[M + H]+
|
5.78 |
637.469 |
|
1.46 |
519 |
[M + H]+
|
5.87 |
391.320 |
|
1.68 |
87 |
[M − H]-
|
4.86 |
345.255 |
|
1.80 |
86 |
[M − H]-
|
5.42 |
373.283 |
|
1.83 |
88 |
[M − H]-
|
5.93 |
401.311 |
|
(c)
|
VIP > 1
|
Var ID (Primary)
|
Ion
|
RT (min)
|
Experimental Precursor Ions (m/z)
|
Experimental MS-MS Fragment Ions (m/z)
|
1.07 |
364 |
[M + H]+
|
1.45 |
492.207 |
408.165, 332.243, 292.119, 264.124, 244.097, 166.086, 121.084, 120.081 |
1.13 |
183 |
[M + H]+
|
1.61 |
158.082 |
|
1.12 |
245 |
[M + H]+
|
1.62 |
178.086 |
|
1.22 |
110 |
[M + H]+
|
1.64 |
389.178 |
|
1.23 |
171 |
[M + H]+
|
1.67 |
515.173 |
|
1.26 |
250 |
[M + H]+
|
1.68 |
238.108 |
|
1.11 |
208 |
[M + H]+
|
1.68 |
535.236 |
|
1.27 |
362 |
[M + H]+
|
1.69 |
311.113 |
|
1.27 |
111 |
[M + H]+
|
1.69 |
227.126 |
|
1.30 |
140 |
[M + H]+
|
1.70 |
353.121 |
|
1.19 |
146 |
[M + H]+
|
1.71 |
373.183 |
|
1.21 |
119 |
[M + H]+
|
1.73 |
211.131 |
|
1.14 |
137 |
[M + H]+
|
1.83 |
260.090 |
|
1.04 |
191 |
[M + H]+
|
1.83 |
401.171 |
|
1.02 |
373 |
[M + H]+
|
1.78 |
107.085 |
|
1.00 |
365 |
[M + H]+
|
1.80 |
180.102 |
|
1.07 |
369 |
[M + H]+
|
1.81 |
151.112 |
|
1.19 |
85 |
[M + H]+
|
1.84 |
120.081 |
|
1.15 |
142 |
[M + H]+
|
1.85 |
649.269 |
|
1.30 |
141 |
[M + H]+
|
1.86 |
192.103 |
|
1.02 |
195 |
[M + H]+
|
1.86 |
230.080 |
|
1.17 |
215 |
[M + H]+
|
1.93 |
162.091 |
|
1.09 |
381 |
[M + H]+
|
1.95 |
644.313 |
|
1.17 |
382 |
[M + H]+
|
1.96 |
283.152 |
|
1.17 |
382 |
[M + H]+
|
1.96 |
283.152 |
|
1.15 |
246 |
[M + H]+
|
1.96 |
153.127 |
|
1.15 |
246 |
[M + H]+
|
1.96 |
153.127 |
|
1.28 |
17 |
[M + H]+
|
2.00 |
487.215 |
|
1.26 |
69 |
[M + H]+
|
2.00 |
482.260 |
355.174, 335.095, 154.131, 153.128, 135.117, 115.039, 97.028 |
1.08 |
249 |
[M + H]+
|
2.00 |
171.138 |
|
1.13 |
112 |
[M + H]+
|
2.02 |
153.127 |
|
1.04 |
42 |
[M + H]+
|
2.04 |
355.173 |
|
1.01 |
368 |
[M + H]+
|
2.14 |
253.142 |
|
1.39 |
175 |
[M + H]+
|
2.23 |
293.173 |
|
1.14 |
394 |
[M + H]+
|
2.26 |
307.152 |
|
1.00 |
372 |
[M + H]+
|
2.26 |
267.158 |
|
1.34 |
392 |
[M + H]+
|
2.30 |
195.138 |
|
1.34 |
392 |
[M + H]+
|
2.30 |
195.138 |
|
1.37 |
383 |
[M + H]+
|
2.33 |
249.146 |
|
1.32 |
391 |
[M + H]+
|
2.38 |
253.179 |
|
1.27 |
237 |
[M + H]+
|
2.38 |
291.157 |
|
1.38 |
200 |
[M + H]+
|
2.41 |
439.230 |
|
1.30 |
377 |
[M + H]+
|
2.42 |
221.154 |
|
1.44 |
393 |
[M + H]+
|
2.44 |
217.159 |
|
1.34 |
189 |
[M + H]+
|
2.45 |
235.170 |
|
1.37 |
193 |
[M + H]+
|
2.47 |
423.235 |
|
1.06 |
253 |
[M + H]+
|
2.47 |
251.165 |
|
1.36 |
201 |
[M + H]+
|
2.48 |
275.162 |
|
1.02 |
260 |
[M + H]+
|
2.49 |
233.154 |
|
1.00 |
232 |
[M + H]+
|
2.52 |
421.219 |
|
1.45 |
65 |
[M + H]+
|
2.61 |
277.178 |
|
1.11 |
154 |
[M + H]+
|
2.63 |
223.169 |
|
1.42 |
95 |
[M + H]+
|
2.73 |
219.175 |
|
1.06 |
248 |
[M + H]+
|
2.76 |
237.185 |
|
1.09 |
255 |
[M + H]+
|
2.77 |
261.183 |
|
1.40 |
92 |
[M + H]+
|
2.89 |
511.340 |
|
1.11 |
330 |
[M + H]+
|
3.05 |
272.259 |
|
1.17 |
412 |
[M + H]+
|
3.67 |
359.030 |
|
1.26 |
93 |
[M + H]+
|
3.73 |
359.030 |
|
1.09 |
75 |
[M + H]+
|
4.06 |
711.131 |
|
1.00 |
367 |
[M + H]+
|
4.95 |
359.030 |
358.368, 358.309, 342.310, 341.307, 285.279, 267.271, 136.007, 135.003, 123.117, 109.102 |
1.07 |
194 |
[M + H]+
|
5.00 |
359.030 |
|
1.04 |
61 |
[M + H]+
|
5.45 |
983.202 |
|
- |
- |
[M − H]-
|
- |
- |
- |