Legacy mzCloud Statistics
Number of compounds: 13,304
Number of spectral trees: 30,294
|
Raw |
Filtered |
Recalibrated |
| Positive |
21,854 |
21,854 |
21,854 |
| Negative |
8,440 |
8,440 |
8,440 |
Number of spectra: 13,063,122
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,132,140 |
1,771,049 |
2,993,451 |
| Negative |
1,605,773 |
554,059 |
1,006,650 |
Number of spectra in positive ESI: 9,896,640
|
Raw |
Filtered |
Recalibrated |
| MS1 |
72,850 |
34,227 |
47,827 |
| MS2 |
1,345,714 |
461,981 |
817,406 |
| MS3 |
1,418,927 |
485,123 |
778,542 |
| MS4 |
1,784,478 |
609,290 |
994,850 |
| MS5 |
416,865 |
147,196 |
255,514 |
| MS6 |
78,234 |
27,845 |
74,560 |
| MS7 |
13,528 |
4,822 |
20,725 |
| MS8 |
1,446 |
528 |
3,876 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,166,482
|
Raw |
Filtered |
Recalibrated |
| MS1 |
28,195 |
12,759 |
18,676 |
| MS2 |
516,309 |
178,677 |
298,974 |
| MS3 |
579,618 |
197,868 |
350,768 |
| MS4 |
375,095 |
128,117 |
246,229 |
| MS5 |
94,963 |
32,695 |
74,400 |
| MS6 |
10,053 |
3,418 |
13,991 |
| MS7 |
1,294 |
442 |
3,123 |
| MS8 |
231 |
78 |
480 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 401,112
|
Positive |
Negative |
| MS2 |
94,767 |
37,223 |
| MS3 |
68,606 |
33,194 |
| MS4 |
87,331 |
27,648 |
| MS5 |
28,036 |
9,278 |
| MS6 |
9,905 |
1,769 |
| MS7 |
2,504 |
347 |
| MS8 |
417 |
50 |
| MS9 |
28 |
9 |
Number of peak annotations: 17,208,189
| Formulae |
14,204,702 |
| Structures |
3,003,487 |
Number of unique optimized structures: 693,891
| PM6 level |
578,286 |
| BLYP/6-31+G* level |
101,761 |
| BLYP/6-311++G** level |
13,844 |
Compound classes
|
Compounds |
Trees |
Spectra |
| Therapeutics/Prescription Drugs |
1,370 |
2,646 |
476,128 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,922 |
347,099 |
| Sports Doping Drugs |
847 |
1,503 |
302,001 |
| Steroids/Vitamins/Hormones |
31 |
67 |
13,752 |
| Endogenous Metabolites |
3,724 |
5,629 |
2,525,710 |
| Natural Products/Medicines |
1,740 |
2,299 |
1,118,278 |
| Natural Toxins |
114 |
165 |
178,439 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
892 |
235,315 |
| Pesticides/Herbicides |
772 |
1,335 |
201,033 |
| Excipients/Additives/Colorants |
269 |
444 |
162,671 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
199 |
308 |
73,757 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
442 |
110,710 |
| Industrial Chemicals |
437 |
738 |
99,714 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |