Legacy mzCloud Statistics
Number of compounds: 13,235
Number of spectral trees: 30,075
|
Raw |
Filtered |
Recalibrated |
| Positive |
21,769 |
21,769 |
21,769 |
| Negative |
8,306 |
8,306 |
8,306 |
Number of spectra: 12,774,782
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,048,725 |
1,743,167 |
2,965,569 |
| Negative |
1,516,344 |
524,193 |
976,784 |
Number of spectra in positive ESI: 9,757,461
|
Raw |
Filtered |
Recalibrated |
| MS1 |
72,600 |
34,142 |
47,742 |
| MS2 |
1,329,617 |
456,607 |
812,032 |
| MS3 |
1,394,544 |
476,976 |
770,395 |
| MS4 |
1,749,926 |
597,739 |
983,299 |
| MS5 |
411,349 |
145,348 |
253,666 |
| MS6 |
76,010 |
27,099 |
73,814 |
| MS7 |
13,135 |
4,691 |
20,594 |
| MS8 |
1,446 |
528 |
3,876 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,017,321
|
Raw |
Filtered |
Recalibrated |
| MS1 |
27,794 |
12,625 |
18,542 |
| MS2 |
492,584 |
170,763 |
291,060 |
| MS3 |
546,091 |
186,676 |
339,576 |
| MS4 |
348,260 |
119,145 |
237,257 |
| MS5 |
91,063 |
31,391 |
73,096 |
| MS6 |
9,093 |
3,095 |
13,668 |
| MS7 |
1,213 |
415 |
3,096 |
| MS8 |
231 |
78 |
480 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 395,437
|
Positive |
Negative |
| MS2 |
94,310 |
36,586 |
| MS3 |
67,822 |
32,196 |
| MS4 |
86,138 |
26,689 |
| MS5 |
27,825 |
9,092 |
| MS6 |
9,783 |
1,686 |
| MS7 |
2,469 |
337 |
| MS8 |
417 |
50 |
| MS9 |
28 |
9 |
Number of peak annotations: 16,909,040
| Formulae |
13,932,930 |
| Structures |
2,976,110 |
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 |
883 |
227,420 |
| Pesticides/Herbicides |
755 |
1,295 |
147,044 |
| 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 |
440 |
110,405 |
| Industrial Chemicals |
437 |
738 |
99,714 |
| Perfluorinated Hydrocarbons |
73 |
128 |
32,760 |
| Nanomaterials |
0 |
0 |
0 |