| blob | c15b9ac1e43438b3ebde5d1a94f3268481e39959 |
1 Pure Methanol - Yummie!
2 648
3 1MeOH Me1 1 1.090 1.374 0.894 -0.2255 0.0272 -0.0476
4 1MeOH O2 2 1.205 1.439 0.863 0.3805 -0.9040 0.2153
5 1MeOH H3 3 1.174 1.533 0.851 0.7376 -0.5702 1.7130
6 2MeOH Me1 4 0.880 2.217 2.107 -0.1916 0.3992 0.0637
7 2MeOH O2 5 0.942 2.338 2.101 0.1335 0.2004 -0.7912
8 2MeOH H3 6 1.041 2.331 2.089 0.0491 1.2251 -2.2802
9 3MeOH Me1 7 0.054 0.270 0.583 -0.2184 -0.4690 0.4337
10 3MeOH O2 8 0.106 0.156 0.637 -0.2226 -0.3379 0.7165
11 3MeOH H3 9 0.028 0.124 0.691 0.5781 -0.5174 1.7865
12 4MeOH Me1 10 1.153 2.054 1.209 -0.1455 0.0333 -0.2640
13 4MeOH O2 11 1.247 2.087 1.115 0.1360 -0.7813 -0.2767
14 4MeOH H3 12 1.296 2.014 1.069 2.0390 0.1305 0.1966
15 5MeOH Me1 13 0.865 0.058 1.451 0.3227 0.1925 0.0125
16 5MeOH O2 14 0.812 0.147 1.363 0.2192 0.0958 -0.0229
17 5MeOH H3 15 0.843 0.124 1.271 -1.5716 -2.0193 -0.1857
18 6MeOH Me1 16 0.827 1.906 0.995 -0.0182 -0.2740 -0.4119
19 6MeOH O2 17 0.885 1.805 0.924 0.5895 -0.0031 -0.3048
20 6MeOH H3 18 0.827 1.723 0.931 1.1719 -0.3736 0.3034
21 7MeOH Me1 19 1.116 2.072 0.487 0.0718 -0.3500 -0.6856
22 7MeOH O2 20 1.003 2.145 0.475 0.1881 -0.0372 0.0616
23 7MeOH H3 21 0.987 2.179 0.382 0.6446 -4.1336 -1.7385
24 8MeOH Me1 22 0.856 1.192 1.951 0.3846 -0.1298 -0.3814
25 8MeOH O2 23 0.774 1.294 1.913 0.5179 0.0192 -0.2651
26 8MeOH H3 24 0.683 1.291 1.953 0.6883 -2.8780 0.0743
27 9MeOH Me1 25 0.357 1.973 0.382 -0.4174 0.4104 0.1013
28 9MeOH O2 26 0.341 1.904 0.266 -0.2348 0.6022 -0.0362
29 9MeOH H3 27 0.245 1.878 0.258 0.3645 -1.5239 -1.1909
30 10MeOH Me1 28 1.359 -0.000 1.580 -0.4676 0.3648 -0.3065
31 10MeOH O2 29 1.335 0.101 1.492 -0.1495 0.2158 -0.5710
32 10MeOH H3 30 1.300 0.179 1.544 0.1198 1.9543 -2.8846
33 11MeOH Me1 31 1.504 1.627 0.318 -0.5866 0.4657 -0.1467
34 11MeOH O2 32 1.461 1.518 0.250 0.2263 0.3260 -0.4423
35 11MeOH H3 33 1.506 1.441 0.297 -0.4144 -0.3501 -0.9195
36 12MeOH Me1 34 1.708 0.972 0.612 0.5795 0.4416 0.0722
37 12MeOH O2 35 1.684 1.105 0.595 0.2307 0.3046 -0.5295
38 12MeOH H3 36 1.756 1.148 0.541 -0.9794 3.5824 0.2210
39 13MeOH Me1 37 1.170 1.401 1.477 -0.4994 0.2465 0.2313
40 13MeOH O2 38 1.150 1.288 1.405 0.0795 0.0095 0.4379
41 13MeOH H3 39 1.142 1.213 1.471 -1.4046 1.1080 1.5789
42 14MeOH Me1 40 0.946 1.669 1.317 0.3931 0.1345 0.3955
43 14MeOH O2 41 0.839 1.595 1.356 -0.1834 0.9129 0.3204
44 14MeOH H3 42 0.858 1.498 1.341 2.8331 1.6319 -1.3601
45 15MeOH Me1 43 1.767 1.407 1.615 0.3040 0.1915 -0.4104
46 15MeOH O2 44 1.710 1.459 1.727 0.0978 0.5720 -0.6861
47 15MeOH H3 45 1.777 1.515 1.776 0.8400 -0.9691 0.1449
48 16MeOH Me1 46 1.588 1.200 0.277 0.7456 0.0101 0.5015
49 16MeOH O2 47 1.564 1.312 0.351 -0.4691 0.2584 -0.2319
50 16MeOH H3 48 1.525 1.274 0.435 -1.1952 1.2135 -0.1281
51 17MeOH Me1 49 1.572 1.319 1.089 -0.0367 -0.7312 -0.4150
52 17MeOH O2 50 1.509 1.408 1.007 0.1140 -0.0101 0.2386
53 17MeOH H3 51 1.554 1.419 0.918 1.7637 -1.0204 0.8954
54 18MeOH Me1 52 1.263 0.173 2.061 0.7948 0.1288 0.5075
55 18MeOH O2 53 1.188 0.090 1.984 -0.1655 0.5485 0.9835
56 18MeOH H3 54 1.225 -0.002 1.974 1.4573 1.2200 0.4331
57 19MeOH Me1 55 2.058 2.049 1.615 0.2521 0.1903 -0.7252
58 19MeOH O2 56 2.113 1.933 1.570 0.1981 0.0479 -0.4242
59 19MeOH H3 57 2.052 1.904 1.497 -0.0805 1.9982 -1.0306
60 20MeOH Me1 58 0.796 1.881 1.986 -0.8181 -0.5122 0.1069
61 20MeOH O2 59 0.894 1.830 1.906 -0.2000 0.2545 0.3686
62 20MeOH H3 60 0.925 1.900 1.841 0.1112 -1.4709 -1.4284
63 21MeOH Me1 61 2.221 0.549 0.179 0.5571 0.0605 0.4212
64 21MeOH O2 62 2.116 0.557 0.265 -0.1607 -0.6031 -0.3802
65 21MeOH H3 63 2.028 0.542 0.219 -0.3587 0.7900 -0.4961
66 22MeOH Me1 64 1.660 1.473 2.343 0.1618 -0.1099 -0.2820
67 22MeOH O2 65 1.686 1.478 2.210 0.4140 -0.0921 -0.2331
68 22MeOH H3 66 1.612 1.431 2.163 -0.5015 0.3319 0.7442
69 23MeOH Me1 67 2.149 0.145 1.113 0.2246 -0.1885 0.6103
70 23MeOH O2 68 2.093 0.076 1.011 0.1888 0.5065 0.1585
71 23MeOH H3 69 2.000 0.046 1.033 0.5073 -1.4024 -0.8993
72 24MeOH Me1 70 2.035 1.550 0.316 -0.2081 -0.4768 -0.0815
73 24MeOH O2 71 2.081 1.586 0.438 0.7235 -0.4510 -0.4363
74 24MeOH H3 72 2.016 1.651 0.477 1.3393 -0.9639 1.5944
75 25MeOH Me1 73 0.146 1.501 1.720 -0.3605 0.5198 0.6368
76 25MeOH O2 74 0.224 1.561 1.814 0.8934 0.2993 -0.2264
77 25MeOH H3 75 0.307 1.609 1.786 1.7588 1.1457 3.3662
78 26MeOH Me1 76 0.705 1.860 1.502 -0.5076 0.5454 -0.2195
79 26MeOH O2 77 0.652 1.735 1.504 0.8793 -0.0644 -0.2614
80 26MeOH H3 78 0.716 1.670 1.462 -0.4312 -0.9382 -0.9891
81 27MeOH Me1 79 1.803 1.643 0.921 -0.3605 -0.3092 -0.2958
82 27MeOH O2 80 1.874 1.711 1.014 -0.1428 -0.4141 -0.3844
83 27MeOH H3 81 1.911 1.792 0.970 -0.3793 -1.5531 -2.8141
84 28MeOH Me1 82 0.528 0.901 2.165 0.2380 0.3020 0.2218
85 28MeOH O2 83 0.562 1.031 2.144 0.1642 0.2131 -0.4687
86 28MeOH H3 84 0.551 1.075 2.233 0.2777 2.2463 -1.3993
87 29MeOH Me1 85 1.574 2.184 2.229 0.1301 0.2607 0.2941
88 29MeOH O2 86 1.537 2.241 2.347 -0.2529 -0.3446 0.4693
89 29MeOH H3 87 1.471 2.315 2.332 0.5605 0.4410 0.6323
90 30MeOH Me1 88 0.774 0.910 1.428 -0.8052 -0.7137 0.1776
91 30MeOH O2 89 0.802 0.833 1.536 -0.2226 -0.8233 -0.0457
92 30MeOH H3 90 0.724 0.846 1.598 -0.9499 0.3749 -1.1551
93 31MeOH Me1 91 2.229 0.796 0.983 -0.2086 -0.5029 -0.3731
94 31MeOH O2 92 2.207 0.783 1.117 0.6356 0.3951 -0.1291
95 31MeOH H3 93 2.122 0.734 1.135 0.3705 0.7380 -0.4228
96 32MeOH Me1 94 1.913 0.594 1.527 -0.1637 -0.5697 0.1590
97 32MeOH O2 95 1.856 0.710 1.569 0.0929 -0.2400 -0.4026
98 32MeOH H3 96 1.792 0.742 1.499 -1.7688 0.5023 1.5090
99 33MeOH Me1 97 0.989 2.334 0.148 -0.2832 -0.1280 -0.4224
100 33MeOH O2 98 1.030 2.225 0.217 0.1276 0.4114 0.1945
101 33MeOH H3 99 1.055 2.155 0.150 -2.2925 0.6138 -1.0113
102 34MeOH Me1 100 0.068 1.298 1.369 0.3601 -0.3797 -0.2796
103 34MeOH O2 101 0.189 1.258 1.416 0.5663 0.1115 -0.3912
104 34MeOH H3 102 0.262 1.325 1.400 -0.6069 1.2040 -1.3122
105 35MeOH Me1 103 -0.014 1.143 1.095 -0.0895 -0.1401 0.0890
106 35MeOH O2 104 0.058 1.074 1.002 0.1085 0.2502 -0.0471
107 35MeOH H3 105 0.108 1.008 1.058 -1.9189 -1.9046 -0.6489
108 36MeOH Me1 106 2.045 0.871 0.531 0.0712 -0.0957 -0.7292
109 36MeOH O2 107 2.023 0.966 0.626 -0.2369 -0.6123 -0.2765
110 36MeOH H3 108 2.107 0.962 0.681 0.5614 -0.6444 -1.4669
111 37MeOH Me1 109 0.115 1.889 1.130 -0.1776 0.2605 -0.2942
112 37MeOH O2 110 0.197 1.838 1.034 0.0799 -0.2826 0.2086
113 37MeOH H3 111 0.293 1.827 1.058 -0.4613 -0.6332 2.4563
114 38MeOH Me1 112 1.491 1.706 1.676 0.2367 0.1636 0.5240
115 38MeOH O2 113 1.376 1.656 1.729 0.2370 -0.7927 -0.3444
116 38MeOH H3 114 1.352 1.709 1.810 -0.2876 0.2856 -1.1706
117 39MeOH Me1 115 1.869 0.746 1.930 -0.0764 0.3021 -0.0952
118 39MeOH O2 116 1.793 0.854 1.900 -0.5052 0.0426 0.0585
119 39MeOH H3 117 1.714 0.851 1.962 0.5544 0.6541 1.4651
120 40MeOH Me1 118 0.284 1.518 2.116 -0.0835 -0.2335 -0.4762
121 40MeOH O2 119 0.362 1.407 2.124 0.2917 0.0230 -0.5106
122 40MeOH H3 120 0.422 1.401 2.045 0.9110 -1.3557 0.0352
123 41MeOH Me1 121 0.631 0.356 0.459 -0.2674 0.0349 0.7143
124 41MeOH O2 122 0.555 0.449 0.395 0.3599 0.1244 0.0893
125 41MeOH H3 123 0.553 0.421 0.299 0.1832 0.6577 -0.0650
126 42MeOH Me1 124 0.530 -0.033 -0.011 -0.8073 -0.1722 -0.3897
127 42MeOH O2 125 0.539 0.077 0.068 -0.1414 -0.3423 -0.2250
128 42MeOH H3 126 0.533 0.059 0.166 0.8429 -0.5411 -0.1871
129 43MeOH Me1 127 1.347 0.556 0.283 0.5275 0.7063 0.7077
130 43MeOH O2 128 1.380 0.426 0.307 -0.6672 0.3830 0.6515
131 43MeOH H3 129 1.304 0.363 0.325 1.1618 -2.1843 0.0053
132 44MeOH Me1 130 0.118 1.929 2.266 0.0373 -0.3611 -0.2239
133 44MeOH O2 131 -0.012 1.888 2.263 0.0759 -0.4896 -0.1192
134 44MeOH H3 132 -0.038 1.889 2.166 1.4260 -0.7869 -0.5190
135 45MeOH Me1 133 1.985 1.919 0.470 -0.3493 0.3327 0.7044
136 45MeOH O2 134 1.976 1.802 0.539 0.4075 -0.0470 0.1779
137 45MeOH H3 135 2.043 1.818 0.612 -1.5327 2.8060 1.5226
138 46MeOH Me1 136 1.832 0.213 2.407 0.0710 -0.1597 0.0882
139 46MeOH O2 137 1.731 0.189 2.319 0.0677 0.2321 -0.0128
140 46MeOH H3 138 1.744 0.257 2.247 1.2931 -0.5474 -0.5517
141 47MeOH Me1 139 2.115 2.174 1.243 0.3549 0.4758 -0.0904
142 47MeOH O2 140 2.134 2.128 1.116 0.5023 0.6171 -0.1193
143 47MeOH H3 141 2.228 2.153 1.092 0.1706 1.9242 -0.1299
144 48MeOH Me1 142 1.479 0.984 0.963 0.1853 -0.0977 0.2463
145 48MeOH O2 143 1.355 0.968 0.909 -0.1168 -0.0371 0.9161
146 48MeOH H3 144 1.375 0.914 0.827 -0.0551 1.4850 -0.1296
147 49MeOH Me1 145 0.438 1.071 0.333 0.3101 -0.3484 -0.0008
148 49MeOH O2 146 0.406 1.116 0.208 0.5298 0.4809 0.2331
149 49MeOH H3 147 0.333 1.184 0.202 -0.4401 -0.3946 1.5223
150 50MeOH Me1 148 0.922 0.895 2.210 -0.0845 -0.0352 -0.6628
151 50MeOH O2 149 1.025 0.983 2.197 -0.5423 0.5471 -0.3902
152 50MeOH H3 150 1.046 0.994 2.100 -3.1280 0.3170 -1.0229
153 51MeOH Me1 151 0.546 1.224 1.497 0.6789 0.0640 -0.0344
154 51MeOH O2 152 0.561 1.359 1.494 -0.1302 0.1578 -0.0127
155 51MeOH H3 153 0.635 1.386 1.555 0.6698 1.0679 -1.3227
156 52MeOH Me1 154 0.944 2.123 1.648 -0.2256 -0.3632 0.0514
157 52MeOH O2 155 0.870 2.039 1.725 0.2069 -0.2388 0.6106
158 52MeOH H3 156 0.791 2.093 1.752 0.7349 1.3763 -0.9274
159 53MeOH Me1 157 0.415 2.028 1.754 -0.9525 -0.2627 0.4172
160 53MeOH O2 158 0.458 2.077 1.874 0.5542 -0.4907 -0.0019
161 53MeOH H3 159 0.376 2.118 1.915 1.2732 1.4340 -0.3768
162 54MeOH Me1 160 2.175 -0.011 0.719 0.0591 -0.1353 -0.5894
163 54MeOH O2 161 2.222 0.105 0.772 -0.5937 -0.1721 0.0862
164 54MeOH H3 162 2.166 0.128 0.852 0.4257 2.1061 0.2350
165 55MeOH Me1 163 1.849 1.049 1.026 0.2298 -0.0775 0.3642
166 55MeOH O2 164 1.885 0.931 0.968 -0.0384 0.0506 -0.0643
167 55MeOH H3 165 1.946 0.953 0.891 -1.2260 2.3805 -0.4377
168 56MeOH Me1 166 0.590 0.725 0.593 0.3871 -0.0963 -0.0275
169 56MeOH O2 167 0.589 0.592 0.618 0.3262 -0.1153 -0.1338
170 56MeOH H3 168 0.566 0.550 0.530 0.9592 -0.5738 -0.0823
171 57MeOH Me1 169 2.032 1.351 0.823 0.5413 0.4476 -0.0550
172 57MeOH O2 170 2.110 1.259 0.759 -0.3161 -0.2168 -0.1527
173 57MeOH H3 171 2.200 1.301 0.764 -0.6814 0.5993 -0.2307
174 58MeOH Me1 172 0.905 0.417 0.193 0.2552 0.4818 -0.0729
175 58MeOH O2 173 1.028 0.358 0.200 0.0408 0.0414 -0.0155
176 58MeOH H3 174 1.052 0.362 0.297 -0.8836 -0.7443 0.2603
177 59MeOH Me1 175 0.336 0.999 0.820 -0.2645 -0.3151 -0.2842
178 59MeOH O2 176 0.297 0.930 0.931 -0.2692 -0.2904 -0.2710
179 59MeOH H3 177 0.266 0.839 0.903 0.7939 -0.8404 0.2681
180 60MeOH Me1 178 -0.055 1.500 1.100 -0.9573 -0.0950 -0.1476
181 60MeOH O2 179 0.046 1.460 1.019 -0.0251 0.1413 0.8754
182 60MeOH H3 180 0.135 1.469 1.065 0.2609 2.5060 -0.0260
183 61MeOH Me1 181 0.863 1.526 1.684 0.0891 -0.0179 -0.5820
184 61MeOH O2 182 0.790 1.416 1.653 0.0411 -0.1423 -0.0371
185 61MeOH H3 183 0.803 1.359 1.734 2.3046 -0.1273 -0.3149
186 62MeOH Me1 184 1.197 1.083 1.907 0.1441 0.1891 0.4334
187 62MeOH O2 185 1.121 0.979 1.950 0.1110 -0.0916 -0.3021
188 62MeOH H3 186 1.160 0.902 1.898 1.7741 0.8838 -0.5496
189 63MeOH Me1 187 2.308 1.290 0.417 -0.5728 0.6002 0.5888
190 63MeOH O2 188 2.333 1.415 0.369 -0.3661 0.1889 -0.3877
191 63MeOH H3 189 2.244 1.459 0.371 -0.9799 -0.9920 -0.7041
192 64MeOH Me1 190 0.216 2.263 2.056 0.5592 0.5398 0.2283
193 64MeOH O2 191 0.197 2.164 1.965 0.2324 0.0219 0.8539
194 64MeOH H3 192 0.113 2.111 1.980 -1.4993 2.1205 -0.7097
195 65MeOH Me1 193 0.243 0.661 0.723 -0.3122 0.1147 0.0698
196 65MeOH O2 194 0.246 0.693 0.855 -0.0068 0.7304 -0.0835
197 65MeOH H3 195 0.207 0.611 0.896 1.3374 -0.3369 -0.8824
198 66MeOH Me1 196 2.069 0.511 0.614 0.1708 0.0097 0.3006
199 66MeOH O2 197 2.175 0.552 0.539 0.2412 -0.0100 0.3912
200 66MeOH H3 198 2.136 0.541 0.448 -0.2191 -0.1492 0.6027
201 67MeOH Me1 199 0.096 2.154 1.615 0.1502 -0.1929 0.0553
202 67MeOH O2 200 0.168 2.056 1.555 0.0980 -0.2419 0.0734
203 67MeOH H3 201 0.096 1.988 1.540 0.5492 -0.3666 -1.9324
204 68MeOH Me1 202 1.452 1.253 1.703 -0.1240 -0.0202 -0.4686
205 68MeOH O2 203 1.515 1.312 1.808 -0.7004 -0.5690 0.2006
206 68MeOH H3 204 1.588 1.373 1.777 -1.5054 -0.7691 -2.3209
207 69MeOH Me1 205 0.509 1.833 2.299 -0.2158 0.3046 0.1285
208 69MeOH O2 206 0.644 1.823 2.286 -0.2796 -0.1991 -0.1788
209 69MeOH H3 207 0.665 1.726 2.275 -0.9589 -0.5213 1.1579
210 70MeOH Me1 208 1.311 0.437 1.025 0.2821 -0.1943 -0.2747
211 70MeOH O2 209 1.443 0.465 1.011 0.2847 -0.0926 -0.0396
212 70MeOH H3 210 1.466 0.499 1.102 0.9786 -0.8756 0.0956
213 71MeOH Me1 211 2.266 0.095 0.025 -0.4605 -0.0901 -0.1077
214 71MeOH O2 212 2.368 0.161 -0.035 -0.1979 -0.4105 -0.0193
215 71MeOH H3 213 2.430 0.199 0.034 -0.7589 -1.6968 1.2298
216 72MeOH Me1 214 0.096 0.865 0.321 0.2119 0.8203 -0.0629
217 72MeOH O2 215 0.068 0.867 0.187 -0.3306 -1.1357 -0.0166
218 72MeOH H3 216 0.123 0.802 0.136 0.3747 0.7404 -1.7866
219 73MeOH Me1 217 1.163 1.819 0.773 0.6604 -0.3262 -0.4982
220 73MeOH O2 218 1.098 1.703 0.802 0.0260 0.2726 0.5296
221 73MeOH H3 219 1.018 1.749 0.842 -1.1697 0.0510 -1.4964
222 74MeOH Me1 220 2.050 0.384 1.895 -0.2341 -0.0474 0.0546
223 74MeOH O2 221 2.016 0.368 2.026 -0.4170 -0.1297 -0.0042
224 74MeOH H3 222 2.100 0.340 2.072 -0.4506 0.5506 0.4995
225 75MeOH Me1 223 0.186 0.328 0.253 -0.0199 0.2624 -0.4591
226 75MeOH O2 224 0.207 0.257 0.139 -0.5095 -0.1720 -0.2808
227 75MeOH H3 225 0.224 0.166 0.176 -1.4552 -0.2619 -0.0281
228 76MeOH Me1 226 0.826 1.478 0.585 0.1955 -0.6831 0.5407
229 76MeOH O2 227 0.787 1.423 0.468 0.3588 0.3660 -0.0230
230 76MeOH H3 228 0.865 1.370 0.434 -0.1350 0.4515 -1.3540
231 77MeOH Me1 229 1.351 1.608 1.233 -0.1335 -0.5718 0.5483
232 77MeOH O2 230 1.361 1.612 1.098 -0.3027 0.1857 0.5561
233 77MeOH H3 231 1.406 1.527 1.072 -1.4709 -0.4135 0.4452
234 78MeOH Me1 232 0.442 1.049 1.216 -0.0143 0.0735 -0.2719
235 78MeOH O2 233 0.333 1.107 1.159 -0.0585 -0.3216 -0.5952
236 78MeOH H3 234 0.318 1.072 1.067 -1.2468 -3.2206 0.5695
237 79MeOH Me1 235 0.514 -0.083 0.430 0.4107 0.1953 0.4603
238 79MeOH O2 236 0.509 0.010 0.330 0.3280 -0.1838 0.1072
239 79MeOH H3 237 0.473 0.089 0.379 -0.3420 -1.2584 1.4216
240 80MeOH Me1 238 1.835 2.025 2.040 -0.5109 -0.3568 -0.3184
241 80MeOH O2 239 1.950 1.964 2.001 0.4185 1.0431 0.1785
242 80MeOH H3 240 1.932 1.872 2.035 -0.3009 2.1678 3.1545
243 81MeOH Me1 241 0.539 1.223 0.645 0.3822 -0.5026 0.1695
244 81MeOH O2 242 0.605 1.218 0.527 0.1886 0.0421 0.0337
245 81MeOH H3 243 0.659 1.299 0.505 0.6404 0.5121 2.6134
246 82MeOH Me1 244 0.544 1.735 1.161 -0.5949 -0.5280 -0.5255
247 82MeOH O2 245 0.424 1.798 1.155 -0.3757 -0.0529 -0.0024
248 82MeOH H3 246 0.416 1.868 1.226 -1.0720 -0.0008 -0.1236
249 83MeOH Me1 247 0.526 0.487 0.939 -0.5689 -0.0252 -0.0757
250 83MeOH O2 248 0.622 0.470 0.845 -0.3944 0.6959 -0.0330
251 83MeOH H3 249 0.599 0.520 0.762 -1.5810 1.9547 1.0041
252 84MeOH Me1 250 0.439 0.274 2.090 0.1659 0.5399 0.6711
253 84MeOH O2 251 0.531 0.220 2.004 -0.4301 0.6907 -0.0736
254 84MeOH H3 252 0.617 0.232 2.053 -0.0391 -2.3133 0.1403
255 85MeOH Me1 253 0.807 2.325 0.736 -0.2787 -0.2522 -0.1074
256 85MeOH O2 254 0.681 2.274 0.731 -0.2086 -0.4636 0.2368
257 85MeOH H3 255 0.681 2.222 0.645 -0.3764 -0.8997 0.4974
258 86MeOH Me1 256 1.270 0.678 1.967 0.1786 0.2621 -0.3673
259 86MeOH O2 257 1.256 0.775 1.873 0.5404 0.3315 -0.3523
260 86MeOH H3 258 1.336 0.772 1.814 0.9744 0.4829 0.2210
261 87MeOH Me1 259 0.501 0.131 1.039 -0.3398 0.0290 0.1140
262 87MeOH O2 260 0.367 0.125 1.021 -0.1941 0.2379 -1.1315
263 87MeOH H3 261 0.351 0.162 0.929 -1.0682 -0.6024 -1.3417
264 88MeOH Me1 262 1.426 0.727 2.317 -0.3698 0.0429 0.2879
265 88MeOH O2 263 1.402 0.832 2.234 -0.3682 0.2570 0.5603
266 88MeOH H3 264 1.349 0.909 2.269 -1.3703 1.1629 -2.6649
267 89MeOH Me1 265 2.199 1.080 0.076 -0.1934 -0.0955 -0.8126
268 89MeOH O2 266 2.189 0.954 0.124 0.4506 0.1266 -0.0748
269 89MeOH H3 267 2.283 0.921 0.140 0.6789 1.3705 1.3543
270 90MeOH Me1 268 0.234 0.635 2.307 -0.1047 -0.8807 0.5976
271 90MeOH O2 269 0.112 0.681 2.345 0.0096 -0.1302 0.0772
272 90MeOH H3 270 0.070 0.701 2.256 -2.0102 -1.1062 0.7564
273 91MeOH Me1 271 2.145 1.175 1.646 -0.2695 0.0074 0.3012
274 91MeOH O2 272 2.019 1.172 1.594 -0.0218 -0.5941 -0.2602
275 91MeOH H3 273 1.968 1.088 1.613 1.9783 -1.9152 -0.3921
276 92MeOH Me1 274 1.620 0.329 1.622 0.3050 0.2556 0.4018
277 92MeOH O2 275 1.614 0.370 1.492 0.3749 -0.3643 0.1999
278 92MeOH H3 276 1.706 0.341 1.468 0.6057 -0.2073 0.8747
279 93MeOH Me1 277 1.122 1.044 1.139 -0.0951 0.0106 -0.3566
280 93MeOH O2 278 1.116 1.052 1.003 0.4923 -0.2064 -0.3943
281 93MeOH H3 279 1.200 1.021 0.957 0.9264 -1.4072 1.1144
282 94MeOH Me1 280 1.069 0.665 1.062 -0.1483 0.5195 -0.2626
283 94MeOH O2 281 0.970 0.683 1.154 -0.0341 0.4079 -0.1178
284 94MeOH H3 282 0.905 0.747 1.112 -0.4705 -1.2249 -2.0982
285 95MeOH Me1 283 1.483 1.768 2.075 0.0092 -0.2368 -0.0428
286 95MeOH O2 284 1.393 1.759 1.974 0.2188 -0.0035 -0.2504
287 95MeOH H3 285 1.303 1.759 2.019 0.8847 0.9292 1.1609
288 96MeOH Me1 286 0.715 2.083 0.151 -0.2275 0.2525 -0.3832
289 96MeOH O2 287 0.795 2.014 0.067 -0.4071 -0.6419 0.1611
290 96MeOH H3 288 0.739 1.954 0.010 -1.4123 -0.5432 1.0287
291 97MeOH Me1 289 0.895 0.865 0.427 -0.0819 -0.2544 -0.3825
292 97MeOH O2 290 0.943 0.773 0.339 -0.2518 -0.2617 -0.4686
293 97MeOH H3 291 0.877 0.752 0.267 -0.8061 -3.1853 0.7540
294 98MeOH Me1 292 2.355 0.992 0.664 -0.2764 0.2050 0.0462
295 98MeOH O2 293 2.269 1.004 0.768 0.5119 -0.3013 0.7682
296 98MeOH H3 294 2.313 1.052 0.844 0.7173 1.8420 -0.6177
297 99MeOH Me1 295 2.167 1.582 1.779 0.6051 0.0949 -0.2474
298 99MeOH O2 296 2.123 1.693 1.843 0.2905 0.1468 -0.5513
299 99MeOH H3 297 2.210 1.738 1.863 0.6752 -1.2155 1.1020
300 100MeOH Me1 298 2.175 0.819 1.678 0.0620 0.1572 0.1320
301 100MeOH O2 299 2.088 0.869 1.587 0.3805 0.8104 0.1833
302 100MeOH H3 300 1.999 0.829 1.608 0.5828 0.5912 0.6315
303 101MeOH Me1 301 0.969 0.195 1.754 -0.3061 -0.0143 0.5102
304 101MeOH O2 302 1.080 0.254 1.805 0.0398 -0.4106 0.2240
305 101MeOH H3 303 1.096 0.203 1.889 0.9816 -0.4139 0.0592
306 102MeOH Me1 304 2.424 1.864 1.877 0.3555 0.0668 0.3297
307 102MeOH O2 305 2.317 1.873 1.961 0.1569 -0.9568 0.1934
308 102MeOH H3 306 2.278 1.959 1.929 1.7177 -0.2679 0.0502
309 103MeOH Me1 307 0.825 1.260 1.249 -0.0532 -0.4633 0.2380
310 103MeOH O2 308 0.895 1.342 1.331 0.0952 -0.2592 -0.0955
311 103MeOH H3 309 0.990 1.314 1.345 0.0415 -0.7305 -0.6265
312 104MeOH Me1 310 2.137 0.218 0.337 -0.2254 -0.1554 0.5615
313 104MeOH O2 311 2.161 0.085 0.356 0.4385 -0.0165 0.7133
314 104MeOH H3 312 2.073 0.038 0.366 1.5658 -2.0667 1.5947
315 105MeOH Me1 313 1.471 1.991 0.194 0.2568 0.6331 -0.2107
316 105MeOH O2 314 1.567 1.921 0.258 -0.2416 -0.1504 -0.3141
317 105MeOH H3 315 1.565 1.950 0.354 0.2785 -1.3149 0.0794
318 106MeOH Me1 316 2.209 0.689 2.091 0.1702 0.7167 0.5485
319 106MeOH O2 317 2.329 0.748 2.120 0.2786 0.7721 -0.0057
320 106MeOH H3 318 2.353 0.830 2.068 0.4581 -0.1517 -1.4467
321 107MeOH Me1 319 0.231 1.120 2.241 0.2235 -0.1746 -0.4123
322 107MeOH O2 320 0.232 1.160 2.111 0.1116 -0.0521 -0.3753
323 107MeOH H3 321 0.294 1.238 2.107 2.4408 -1.4561 3.0105
324 108MeOH Me1 322 0.660 0.855 1.881 0.0524 0.2974 -0.1889
325 108MeOH O2 323 0.653 0.843 1.746 0.1924 0.0931 -0.1789
326 108MeOH H3 324 0.563 0.861 1.707 -1.0126 -1.3100 1.8235
327 109MeOH Me1 325 1.107 1.993 -0.047 -0.1776 0.1942 0.3163
328 109MeOH O2 326 1.056 2.002 0.079 0.2011 0.3440 0.4603
329 109MeOH H3 327 0.956 2.002 0.077 0.1040 -1.3918 2.2962
330 110MeOH Me1 328 1.000 0.433 1.340 -0.0102 -0.1132 0.6355
331 110MeOH O2 329 1.062 0.554 1.350 -0.6414 0.2515 0.2036
332 110MeOH H3 330 1.028 0.602 1.269 3.9154 -1.3766 -3.1168
333 111MeOH Me1 331 2.095 1.805 1.254 -0.3196 -0.2036 0.0179
334 111MeOH O2 332 2.021 1.791 1.366 0.0480 0.6180 0.3744
335 111MeOH H3 333 1.936 1.745 1.340 -0.5390 1.0344 1.4783
336 112MeOH Me1 334 0.154 0.147 1.304 0.4856 -0.1248 -0.3302
337 112MeOH O2 335 0.240 0.227 1.235 0.6790 -0.0562 -0.0117
338 112MeOH H3 336 0.273 0.176 1.155 -0.3975 -0.4295 -0.2291
339 113MeOH Me1 337 0.676 0.821 0.123 0.6201 -0.1008 0.3617
340 113MeOH O2 338 0.769 0.723 0.104 0.0481 -0.4716 -0.6123
341 113MeOH H3 339 0.758 0.694 0.009 -2.5346 -1.8772 0.0273
342 114MeOH Me1 340 1.795 2.260 1.009 -0.8489 0.2749 0.5316
343 114MeOH O2 341 1.864 2.343 1.092 -0.2447 0.3804 -0.0654
344 114MeOH H3 342 1.879 2.280 1.168 -2.7801 -1.0028 -0.5971
345 115MeOH Me1 343 0.378 0.250 0.665 -0.7760 0.0046 -0.6635
346 115MeOH O2 344 0.361 0.115 0.654 0.4015 -0.1850 -0.3089
347 115MeOH H3 345 0.265 0.109 0.629 0.0070 -0.3838 1.1553
348 116MeOH Me1 346 0.396 2.114 1.244 0.3176 -0.2769 0.0736
349 116MeOH O2 347 0.378 1.997 1.313 -0.3313 0.0868 0.5271
350 116MeOH H3 348 0.339 2.011 1.404 0.7986 1.5503 0.8232
351 117MeOH Me1 349 1.436 2.142 0.672 -0.0102 -0.2264 -0.2065
352 117MeOH O2 350 1.461 2.131 0.539 0.2851 -0.0869 -0.1633
353 117MeOH H3 351 1.457 2.222 0.499 0.6178 -0.1107 -0.2524
354 118MeOH Me1 352 1.370 1.388 2.115 -0.3141 0.4184 -0.0478
355 118MeOH O2 353 1.494 1.387 2.059 -0.4072 0.0300 -0.2507
356 118MeOH H3 354 1.489 1.361 1.963 0.0419 1.7636 -0.7796
357 119MeOH Me1 355 2.101 1.943 0.125 -0.0628 0.0779 0.1068
358 119MeOH O2 356 2.226 1.988 0.099 0.0776 -0.3719 0.0112
359 119MeOH H3 357 2.268 1.950 0.016 0.4956 0.3633 -0.1211
360 120MeOH Me1 358 0.333 0.577 1.246 -0.3918 0.1964 -0.0172
361 120MeOH O2 359 0.198 0.563 1.230 -0.3856 0.3459 -0.1965
362 120MeOH H3 360 0.153 0.650 1.249 -5.0334 -2.0085 0.8715
363 121MeOH Me1 361 0.455 1.176 1.870 -0.8434 0.6194 -0.5317
364 121MeOH O2 362 0.528 1.221 1.976 -0.4846 0.1098 -0.5586
365 121MeOH H3 363 0.546 1.144 2.037 -1.6519 0.8323 0.7387
366 122MeOH Me1 364 2.233 0.455 1.364 -0.0403 -0.2697 -0.0346
367 122MeOH O2 365 2.264 0.346 1.440 0.1748 0.1574 0.4950
368 122MeOH H3 366 2.361 0.348 1.463 0.9174 0.3722 -2.2305
369 123MeOH Me1 367 -0.066 1.040 1.973 -0.0335 -0.0604 -0.5261
370 123MeOH O2 368 0.050 0.975 2.000 0.0827 0.3206 -0.1071
371 123MeOH H3 369 0.118 1.035 2.042 2.3202 -0.4368 -2.4462
372 124MeOH Me1 370 2.058 1.433 1.361 0.2711 0.1439 0.1469
373 124MeOH O2 371 2.048 1.415 1.496 -0.0874 -0.4060 0.0488
374 124MeOH H3 372 2.027 1.319 1.511 -0.9034 -0.0246 1.5456
375 125MeOH Me1 373 1.620 0.587 1.253 -0.4316 -0.1067 0.3437
376 125MeOH O2 374 1.520 0.497 1.275 -0.1727 -0.5156 -0.1261
377 125MeOH H3 375 1.539 0.454 1.363 -0.6806 0.9334 0.7162
378 126MeOH Me1 376 2.065 0.491 1.027 0.1540 0.2768 -0.3341
379 126MeOH O2 377 1.996 0.594 1.083 0.1247 -0.1319 0.3934
380 126MeOH H3 378 1.899 0.598 1.058 -0.5142 2.9421 2.6668
381 127MeOH Me1 379 1.887 1.344 1.987 0.1171 0.3180 0.5497
382 127MeOH O2 380 1.893 1.471 2.036 -0.2846 0.6326 -0.2141
383 127MeOH H3 381 1.820 1.494 2.100 -0.5052 -0.1742 -0.1706
384 128MeOH Me1 382 2.370 1.740 1.495 -0.1940 -0.2314 0.0753
385 128MeOH O2 383 2.351 1.868 1.535 -0.2891 0.0053 -0.7085
386 128MeOH H3 384 2.253 1.872 1.555 -0.3828 -0.1546 -1.1202
387 129MeOH Me1 385 1.852 2.238 0.251 -0.2327 -0.1462 0.2309
388 129MeOH O2 386 1.893 2.339 0.333 0.7415 -0.1162 -0.2859
389 129MeOH H3 387 1.858 2.327 0.426 1.1297 1.1406 0.0431
390 130MeOH Me1 388 0.140 1.295 0.758 0.0661 0.0847 0.6481
391 130MeOH O2 389 0.020 1.349 0.793 -0.1271 0.2450 -0.2230
392 130MeOH H3 390 0.042 1.404 0.874 0.5612 -1.0247 0.4908
393 131MeOH Me1 391 0.092 0.349 0.975 0.5083 -0.2622 -0.2323
394 131MeOH O2 392 0.133 0.475 1.006 -0.4260 -0.0036 -0.0168
395 131MeOH H3 393 0.136 0.488 1.105 -1.1578 -0.5577 0.0845
396 132MeOH Me1 394 0.782 1.893 0.636 0.2697 0.7969 0.2049
397 132MeOH O2 395 0.728 2.009 0.590 -0.2755 0.5053 0.1162
398 132MeOH H3 396 0.810 2.062 0.569 -1.0211 2.2777 1.4389
399 133MeOH Me1 397 0.430 1.687 0.778 0.3948 0.1115 -0.2352
400 133MeOH O2 398 0.519 1.599 0.724 -0.0648 -0.9268 0.6616
401 133MeOH H3 399 0.483 1.592 0.630 0.2457 0.0463 0.4650
402 134MeOH Me1 400 1.802 -0.089 0.636 -0.0012 0.2924 0.5354
403 134MeOH O2 401 1.763 0.019 0.563 -0.3630 -0.3945 -0.3060
404 134MeOH H3 402 1.765 0.105 0.615 0.7860 -0.7742 0.3079
405 135MeOH Me1 403 1.307 0.695 0.716 -0.4888 0.5310 0.7230
406 135MeOH O2 404 1.383 0.807 0.710 0.1889 0.0345 -0.2970
407 135MeOH H3 405 1.391 0.828 0.613 -2.3370 0.5282 -0.4570
408 136MeOH Me1 406 0.982 0.583 0.659 -0.5200 0.1314 0.8554
409 136MeOH O2 407 0.993 0.448 0.641 -0.0694 0.2749 -0.0053
410 136MeOH H3 408 0.918 0.414 0.699 -1.0361 1.8497 -0.2794
411 137MeOH Me1 409 0.562 0.484 0.065 0.6429 0.0112 -0.0114
412 137MeOH O2 410 0.561 0.371 0.140 -0.2667 -0.2692 -0.4246
413 137MeOH H3 411 0.565 0.295 0.076 -2.7235 0.9470 -2.1695
414 138MeOH Me1 412 1.707 2.266 1.379 -0.2697 -0.4445 -0.0908
415 138MeOH O2 413 1.810 2.207 1.313 0.3257 -0.1779 0.5918
416 138MeOH H3 414 1.778 2.115 1.294 -1.3818 0.4488 0.2171
417 139MeOH Me1 415 0.415 0.774 1.547 -0.1845 -0.2258 1.1672
418 139MeOH O2 416 0.434 0.904 1.579 -0.2923 0.0296 0.2410
419 139MeOH H3 417 0.351 0.960 1.573 -1.0215 -1.1752 -3.1848
420 140MeOH Me1 418 1.331 1.252 0.650 -0.4250 -0.4027 -0.1680
421 140MeOH O2 419 1.440 1.242 0.570 -0.1894 0.3276 0.0536
422 140MeOH H3 420 1.485 1.156 0.597 -2.4102 -0.9907 -0.1850
423 141MeOH Me1 421 2.198 1.748 0.814 -0.3242 -0.3749 0.1099
424 141MeOH O2 422 2.200 1.856 0.732 -0.0496 -0.2734 0.2492
425 141MeOH H3 423 2.297 1.879 0.731 -0.0108 -0.4119 -1.3642
426 142MeOH Me1 424 0.151 0.630 1.824 0.3324 0.1900 -0.3189
427 142MeOH O2 425 0.051 0.629 1.732 -0.0021 -0.8214 0.0426
428 142MeOH H3 426 0.072 0.547 1.679 -1.5922 -1.8080 0.8354
429 143MeOH Me1 427 1.915 1.982 0.789 0.0672 -0.0975 -0.1352
430 143MeOH O2 428 1.965 1.939 0.908 -0.2563 -0.6380 -0.1886
431 143MeOH H3 429 2.063 1.933 0.890 -0.2584 -0.2521 -0.3480
432 144MeOH Me1 430 1.683 0.378 0.374 0.0753 -0.3346 0.3063
433 144MeOH O2 431 1.630 0.425 0.258 0.3008 0.2677 0.4490
434 144MeOH H3 432 1.539 0.458 0.282 0.2447 0.9911 -0.6783
435 145MeOH Me1 433 0.990 1.091 0.708 -0.7204 -0.3625 -0.2131
436 145MeOH O2 434 0.931 1.050 0.823 0.3768 -0.2658 0.4047
437 145MeOH H3 435 1.001 1.061 0.894 0.0470 -1.0508 0.8626
438 146MeOH Me1 436 0.346 1.439 0.478 -0.3602 0.2613 0.5386
439 146MeOH O2 437 0.419 1.554 0.475 0.0008 0.0096 -0.4049
440 146MeOH H3 438 0.454 1.566 0.382 -1.7986 -0.4219 -1.1731
441 147MeOH Me1 439 1.150 0.186 0.519 0.5354 0.2855 -0.3395
442 147MeOH O2 440 1.157 0.312 0.468 0.5012 0.1522 -0.6739
443 147MeOH H3 441 1.102 0.367 0.530 -3.6315 -0.0199 -3.7508
444 148MeOH Me1 442 0.665 1.709 0.252 0.1274 0.2213 -0.1121
445 148MeOH O2 443 0.535 1.705 0.291 0.3010 0.1838 0.4773
446 148MeOH H3 444 0.497 1.798 0.285 1.1449 0.4538 -2.5324
447 149MeOH Me1 445 1.543 2.099 1.836 -0.3363 0.1812 -0.0371
448 149MeOH O2 446 1.494 2.225 1.852 0.1156 0.4265 -0.5430
449 149MeOH H3 447 1.553 2.278 1.913 2.7398 -2.4762 -0.3180
450 150MeOH Me1 448 1.184 2.087 1.940 0.2707 -0.0939 -0.0101
451 150MeOH O2 449 1.236 2.213 1.935 -0.0374 0.0372 0.1193
452 150MeOH H3 450 1.326 2.201 1.893 0.1907 -1.4440 0.9750
453 151MeOH Me1 451 0.798 0.522 2.118 0.4544 0.4281 0.1223
454 151MeOH O2 452 0.829 0.560 2.245 0.0853 0.9021 0.0725
455 151MeOH H3 453 0.917 0.524 2.275 -0.1784 0.2429 0.0861
456 152MeOH Me1 454 0.691 1.536 2.140 -0.1767 -0.5612 0.2919
457 152MeOH O2 455 0.716 1.575 2.268 -0.1615 0.3915 0.0077
458 152MeOH H3 456 0.811 1.552 2.289 0.1921 0.0296 -1.8383
459 153MeOH Me1 457 1.190 1.831 1.530 -0.2244 0.3236 0.9581
460 153MeOH O2 458 1.163 1.725 1.610 -0.1534 0.0707 0.6434
461 153MeOH H3 459 1.240 1.671 1.643 -1.5918 -2.7577 -0.2223
462 154MeOH Me1 460 1.310 0.796 1.357 0.0915 0.1469 0.1273
463 154MeOH O2 461 1.269 0.802 1.487 0.1751 0.8156 0.1251
464 154MeOH H3 462 1.189 0.744 1.495 1.3476 -0.9496 -0.4218
465 155MeOH Me1 463 0.646 0.478 1.409 0.0391 -0.3238 -0.3434
466 155MeOH O2 464 0.609 0.348 1.423 -0.0000 -0.3201 -0.4113
467 155MeOH H3 465 0.684 0.288 1.396 0.3210 0.0907 -0.4489
468 156MeOH Me1 466 0.744 1.499 1.009 -0.3720 0.1994 0.3451
469 156MeOH O2 467 0.722 1.600 0.920 0.1774 -0.5404 -0.6478
470 156MeOH H3 468 0.639 1.577 0.870 -1.5683 -0.6991 2.0849
471 157MeOH Me1 469 1.525 1.890 0.984 -0.0263 0.1159 0.5004
472 157MeOH O2 470 1.389 1.881 0.991 -0.0572 0.0025 -0.1655
473 157MeOH H3 471 1.366 1.785 1.000 -1.1673 -0.2995 -4.3143
474 158MeOH Me1 472 0.083 0.259 1.693 1.0779 -0.0113 0.2905
475 158MeOH O2 473 0.116 0.362 1.610 -0.0022 -0.0884 -0.2581
476 158MeOH H3 474 0.216 0.355 1.610 0.1571 1.5473 0.4535
477 159MeOH Me1 475 1.784 0.075 1.878 -0.0783 -0.4760 0.3140
478 159MeOH O2 476 1.703 -0.013 1.943 0.0946 -0.5479 0.4334
479 159MeOH H3 477 1.736 -0.041 2.033 -1.1278 0.8634 1.3587
480 160MeOH Me1 478 1.170 0.461 2.256 -0.6251 0.1791 -0.2697
481 160MeOH O2 479 1.043 0.432 2.295 -0.4659 -0.3291 -0.1236
482 160MeOH H3 480 1.042 0.375 2.377 -2.3694 -1.6983 -1.0107
483 161MeOH Me1 481 1.302 1.690 -0.033 0.4463 -0.8565 -0.5371
484 161MeOH O2 482 1.283 1.561 0.005 0.1828 -0.4127 0.8852
485 161MeOH H3 483 1.350 1.534 0.075 0.3418 0.9449 1.2779
486 162MeOH Me1 484 0.896 0.281 0.915 -0.7595 -0.4074 0.3897
487 162MeOH O2 485 0.823 0.318 0.806 0.1088 -0.6532 -0.2843
488 162MeOH H3 486 0.746 0.373 0.839 -0.2522 -0.6949 -1.0229
489 163MeOH Me1 487 1.836 1.804 1.756 0.3823 0.1202 0.2224
490 163MeOH O2 488 1.869 1.682 1.806 -0.2577 -0.0285 0.2936
491 163MeOH H3 489 1.968 1.692 1.818 -0.2294 -0.0992 0.1117
492 164MeOH Me1 490 0.731 0.778 0.944 -0.8987 -0.1026 0.5145
493 164MeOH O2 491 0.828 0.849 1.007 -0.5490 -0.4126 0.3288
494 164MeOH H3 492 0.834 0.937 0.960 -1.2876 0.0125 0.9964
495 165MeOH Me1 493 0.508 1.685 1.840 -0.1277 0.2528 -0.0370
496 165MeOH O2 494 0.439 1.693 1.724 0.0972 -0.6202 -0.2425
497 165MeOH H3 495 0.498 1.710 1.645 -0.3785 1.4011 -0.2295
498 166MeOH Me1 496 1.076 1.033 1.578 -0.2640 0.0393 0.0802
499 166MeOH O2 497 1.206 1.074 1.569 -0.2157 -0.0852 0.2131
500 166MeOH H3 498 1.266 0.996 1.552 -1.8787 -1.3112 -0.3299
501 167MeOH Me1 499 1.250 1.107 2.428 0.1758 -0.1366 0.2105
502 167MeOH O2 500 1.250 1.018 2.324 -0.1489 0.7145 -0.5301
503 167MeOH H3 501 1.154 1.007 2.297 -0.0998 -0.9143 -0.1204
504 168MeOH Me1 502 0.202 2.259 0.132 0.2505 0.1227 -0.3239
505 168MeOH O2 503 0.206 2.366 0.216 0.3977 -0.0581 -0.1023
506 168MeOH H3 504 0.174 2.334 0.306 -1.8038 0.7199 -0.5409
507 169MeOH Me1 505 0.200 1.424 0.116 0.3895 0.1801 0.1794
508 169MeOH O2 506 0.187 1.323 0.206 0.0842 0.1369 0.0877
509 169MeOH H3 507 0.114 1.361 0.263 -0.9522 0.5295 -1.4631
510 170MeOH Me1 508 1.564 1.959 1.319 0.2245 1.0517 0.3437
511 170MeOH O2 509 1.699 1.964 1.297 0.1761 0.3141 -0.1693
512 170MeOH H3 510 1.720 1.869 1.274 0.9015 -0.0778 1.9202
513 171MeOH Me1 511 2.064 1.052 1.282 0.1872 0.0876 -0.1509
514 171MeOH O2 512 1.979 0.975 1.355 0.6779 -0.3470 -0.0280
515 171MeOH H3 513 2.034 0.946 1.433 1.9963 0.3299 -0.6740
516 172MeOH Me1 514 1.996 2.290 2.242 -0.3395 -0.4212 0.2013
517 172MeOH O2 515 1.875 2.321 2.186 0.1309 0.0514 -0.5740
518 172MeOH H3 516 1.818 2.367 2.254 -0.6039 2.0804 -2.4560
519 173MeOH Me1 517 1.519 2.414 0.336 0.1059 -0.4513 -0.0595
520 173MeOH O2 518 1.433 2.309 0.341 -0.2766 -0.1222 0.2770
521 173MeOH H3 519 1.430 2.245 0.264 -2.7202 -0.4544 0.5423
522 174MeOH Me1 520 1.175 1.333 0.337 -0.3164 -0.2096 -0.6526
523 174MeOH O2 521 1.061 1.405 0.320 -0.4703 -0.2011 0.3235
524 174MeOH H3 522 1.095 1.498 0.306 2.4263 -1.4759 -2.2186
525 175MeOH Me1 523 1.263 0.859 0.406 0.1527 -0.1151 -0.1094
526 175MeOH O2 524 1.389 0.876 0.453 -0.0222 0.5826 0.1288
527 175MeOH H3 525 1.455 0.896 0.380 -0.9326 1.1852 -0.5382
528 176MeOH Me1 526 0.661 2.324 1.746 -0.2544 -0.2024 -0.5005
529 176MeOH O2 527 0.679 2.202 1.805 0.2594 -0.0472 -0.3338
530 176MeOH H3 528 0.587 2.166 1.821 0.0295 1.2547 1.5650
531 177MeOH Me1 529 1.555 0.706 1.678 -0.2041 -0.6331 -0.1219
532 177MeOH O2 530 1.426 0.745 1.698 0.0528 0.2443 -0.1316
533 177MeOH H3 531 1.378 0.731 1.611 -0.9288 0.0021 0.4475
534 178MeOH Me1 532 1.956 1.193 0.343 -0.1280 -0.4114 0.0053
535 178MeOH O2 533 1.895 1.161 0.461 0.3878 0.5261 0.5347
536 178MeOH H3 534 1.944 1.088 0.508 0.3049 -0.7476 -1.2703
537 179MeOH Me1 535 1.449 0.294 0.719 -0.8057 0.4612 -0.1056
538 179MeOH O2 536 1.550 0.323 0.806 -0.6348 -0.1625 -0.0875
539 179MeOH H3 537 1.507 0.379 0.877 1.7644 -0.4226 1.7063
540 180MeOH Me1 538 1.465 0.153 1.187 -0.1273 -0.2214 -0.4092
541 180MeOH O2 539 1.341 0.101 1.207 -0.5385 0.7000 -0.5564
542 180MeOH H3 540 1.321 0.122 1.303 -0.4513 -1.1593 -0.0985
543 181MeOH Me1 541 1.668 1.485 0.594 0.1549 0.3382 -0.0306
544 181MeOH O2 542 1.619 1.399 0.687 0.2522 -0.2158 -0.4820
545 181MeOH H3 543 1.539 1.350 0.651 -1.2259 0.7513 1.2574
546 182MeOH Me1 544 1.660 0.753 0.355 -0.3368 -0.0643 0.4344
547 182MeOH O2 545 1.614 0.869 0.302 0.3953 0.1361 0.2300
548 182MeOH H3 546 1.677 0.901 0.231 1.1164 0.2576 0.9096
549 183MeOH Me1 547 1.750 0.969 -0.002 -0.2123 -0.2399 0.0052
550 183MeOH O2 548 1.799 0.948 0.123 0.6793 0.8533 -0.1482
551 183MeOH H3 549 1.899 0.936 0.120 0.6837 0.0143 1.7570
552 184MeOH Me1 550 1.115 1.622 1.973 0.5752 -0.5004 0.3407
553 184MeOH O2 551 1.128 1.756 1.996 0.2338 -0.3645 -0.2373
554 184MeOH H3 552 1.033 1.785 1.990 0.1266 -0.1875 1.8172
555 185MeOH Me1 553 1.846 0.614 0.064 -0.0197 -0.4792 0.0334
556 185MeOH O2 554 1.891 0.511 0.140 0.9174 -0.3632 -0.3447
557 185MeOH H3 555 1.812 0.460 0.174 0.6682 -0.2952 -0.8151
558 186MeOH Me1 556 1.524 1.010 1.996 -0.3787 0.3539 0.5708
559 186MeOH O2 557 1.548 0.878 2.020 0.8093 0.4841 0.1353
560 186MeOH H3 558 1.483 0.847 2.089 1.2338 1.2915 0.9129
561 187MeOH Me1 559 2.044 0.094 1.575 -0.1793 0.6001 0.2646
562 187MeOH O2 560 2.062 0.159 1.457 -0.4245 0.4558 0.1448
563 187MeOH H3 561 2.131 0.232 1.464 -3.1867 3.9010 -3.7566
564 188MeOH Me1 562 2.316 2.175 0.427 0.2574 -0.0802 0.2714
565 188MeOH O2 563 2.375 2.296 0.406 -0.0888 0.1202 0.4603
566 188MeOH H3 564 2.302 2.363 0.394 -1.0500 -1.2288 -1.9377
567 189MeOH Me1 565 0.676 1.199 0.058 0.6105 -0.0697 0.0454
568 189MeOH O2 566 0.563 1.138 0.014 0.4120 0.6146 -0.4093
569 189MeOH H3 567 0.501 1.140 0.092 2.4637 0.1108 1.3335
570 190MeOH Me1 568 0.379 1.388 1.014 0.9225 0.6921 0.3044
571 190MeOH O2 569 0.292 1.422 1.113 0.3718 0.5826 -0.1426
572 190MeOH H3 570 0.343 1.443 1.196 0.4963 0.9290 -0.3074
573 191MeOH Me1 571 0.999 1.367 2.328 -0.5831 0.1174 -0.1262
574 191MeOH O2 572 0.980 1.502 2.320 -0.1102 0.1499 -0.8545
575 191MeOH H3 573 1.069 1.546 2.333 -0.3747 0.3548 0.4686
576 192MeOH Me1 574 1.290 0.461 1.592 0.3082 0.0698 -0.2429
577 192MeOH O2 575 1.266 0.331 1.625 -0.3151 0.0009 -0.9267
578 192MeOH H3 576 1.177 0.335 1.671 -0.5343 -3.4815 -0.8077
579 193MeOH Me1 577 2.161 2.210 1.937 -1.1429 -0.1591 -0.3326
580 193MeOH O2 578 2.173 2.075 1.945 -0.4965 -0.1025 -0.3539
581 193MeOH H3 579 2.084 2.038 1.969 -0.5676 1.0043 1.1995
582 194MeOH Me1 580 1.699 0.705 0.864 0.6144 -0.1811 0.0892
583 194MeOH O2 581 1.791 0.700 0.964 0.0426 -0.2221 0.6229
584 194MeOH H3 582 1.829 0.792 0.966 -1.0126 0.4869 -3.2787
585 195MeOH Me1 583 2.016 1.702 2.207 0.2676 0.1702 -0.8090
586 195MeOH O2 584 1.915 1.730 2.121 -0.4681 -0.0993 -0.0449
587 195MeOH H3 585 1.918 1.647 2.065 3.0861 0.5265 -0.9909
588 196MeOH Me1 586 1.223 0.083 0.889 0.4427 -0.8781 0.1598
589 196MeOH O2 587 1.172 0.094 1.015 0.3079 -0.3310 0.0617
590 196MeOH H3 588 1.246 0.070 1.078 1.3110 -1.9286 -1.5948
591 197MeOH Me1 589 0.873 2.276 1.115 0.3361 -0.0261 -0.1060
592 197MeOH O2 590 0.945 2.385 1.151 0.0934 0.0770 0.0678
593 197MeOH H3 591 1.027 2.385 1.094 0.7136 -1.0407 0.9293
594 198MeOH Me1 592 1.650 0.395 2.042 0.1659 0.4102 1.0420
595 198MeOH O2 593 1.750 0.378 2.132 0.4560 -0.0817 0.6319
596 198MeOH H3 594 1.834 0.378 2.079 0.7399 -0.7330 1.0524
597 199MeOH Me1 595 0.997 0.610 1.714 0.6843 -0.0875 0.1024
598 199MeOH O2 596 1.009 0.678 1.596 0.2519 -0.3856 -0.1154
599 199MeOH H3 597 0.927 0.734 1.593 1.1090 0.9276 0.2500
600 200MeOH Me1 598 0.159 1.061 1.678 -0.1284 0.3703 -0.1567
601 200MeOH O2 599 0.235 1.053 1.566 0.2481 -0.3841 0.1438
602 200MeOH H3 600 0.209 1.116 1.493 0.9621 -1.5520 -1.1585
603 201MeOH Me1 601 2.378 0.347 2.037 -0.2522 -0.4227 -0.2929
604 201MeOH O2 602 2.274 0.300 2.111 -0.1066 -0.7222 -0.2761
605 201MeOH H3 603 2.325 0.244 2.177 -2.1940 -0.8563 1.3314
606 202MeOH Me1 604 1.820 0.240 1.239 -0.6939 0.0909 -0.0470
607 202MeOH O2 605 1.832 0.231 1.374 -0.3774 0.2040 -0.0689
608 202MeOH H3 606 1.912 0.174 1.394 -2.3676 -2.2580 1.4116
609 203MeOH Me1 607 1.421 0.228 2.410 -0.0216 0.1861 0.5156
610 203MeOH O2 608 1.470 0.137 2.322 0.4786 0.4818 0.4852
611 203MeOH H3 609 1.562 0.158 2.287 0.1552 -0.0893 -0.7590
612 204MeOH Me1 610 0.318 1.597 1.408 -0.1053 0.0605 0.3645
613 204MeOH O2 611 0.357 1.474 1.366 -0.2018 0.0469 0.3147
614 204MeOH H3 612 0.442 1.441 1.406 -1.4846 -1.3033 2.1010
615 205MeOH Me1 613 0.420 2.144 0.890 -0.5949 0.0014 -0.2281
616 205MeOH O2 614 0.453 2.126 0.760 -0.7396 -0.3409 -0.2177
617 205MeOH H3 615 0.528 2.191 0.745 0.4209 -1.1626 1.7408
618 206MeOH Me1 616 0.005 1.749 0.285 0.3653 0.0547 -0.2391
619 206MeOH O2 617 0.058 1.872 0.259 -0.3065 0.3631 -0.1687
620 206MeOH H3 618 0.000 1.912 0.188 -0.4543 1.2062 0.4134
621 207MeOH Me1 619 0.457 0.336 1.726 0.0625 0.0259 0.0646
622 207MeOH O2 620 0.380 0.346 1.614 0.0641 0.2163 0.0802
623 207MeOH H3 621 0.442 0.367 1.538 -0.1585 -1.6711 -0.6659
624 208MeOH Me1 622 1.869 0.266 0.837 0.0661 0.4074 -0.0768
625 208MeOH O2 623 1.797 0.220 0.732 0.0055 -0.4702 0.3405
626 208MeOH H3 624 1.699 0.238 0.745 0.1459 -0.2419 1.0804
627 209MeOH Me1 625 1.071 1.747 0.315 -0.3634 0.2134 0.1570
628 209MeOH O2 626 1.147 1.645 0.266 -0.1299 0.4341 0.0584
629 209MeOH H3 627 1.234 1.675 0.228 -0.8945 2.4492 -0.2345
630 210MeOH Me1 628 0.824 0.205 2.292 -0.3601 0.4955 0.2500
631 210MeOH O2 629 0.756 0.178 2.178 0.4357 0.1039 -0.1380
632 210MeOH H3 630 0.799 0.093 2.145 1.8000 -0.2265 2.2483
633 211MeOH Me1 631 0.026 0.812 1.405 0.0132 -0.5764 -0.2784
634 211MeOH O2 632 0.047 0.762 1.280 -0.2992 -0.3752 -0.4125
635 211MeOH H3 633 -0.032 0.789 1.225 0.1530 1.4583 -0.2314
636 212MeOH Me1 634 0.143 1.891 0.703 -0.2765 0.0541 -0.1174
637 212MeOH O2 635 0.079 1.940 0.813 -0.0905 -0.1157 0.0671
638 212MeOH H3 636 0.107 1.899 0.899 0.3207 0.7602 0.3603
639 213MeOH Me1 637 1.655 0.934 1.277 0.1529 -0.2342 0.1740
640 213MeOH O2 638 1.746 0.873 1.358 -0.1524 -0.3261 0.4482
641 213MeOH H3 639 1.827 0.930 1.361 0.2865 -0.9801 1.2999
642 214MeOH Me1 640 0.086 2.282 0.975 1.1934 0.1688 0.1377
643 214MeOH O2 641 0.045 2.156 1.006 0.3009 0.2934 -0.5001
644 214MeOH H3 642 0.057 2.100 0.924 0.6836 0.0237 -0.2629
645 215MeOH Me1 643 1.688 1.620 1.296 -0.0155 -0.2486 -0.2554
646 215MeOH O2 644 1.778 1.714 1.256 0.0044 -0.1835 -0.0567
647 215MeOH H3 645 1.806 1.695 1.161 -2.4357 -0.2018 -0.8487
648 216MeOH Me1 646 1.738 1.025 1.652 -0.3007 0.2770 -0.2342
649 216MeOH O2 647 1.858 0.976 1.694 -0.1938 0.6109 -0.1461
650 216MeOH H3 648 1.836 0.929 1.779 2.2323 0.5622 0.5198
651 2.36191 2.36191 2.36191