Legacy mzCloud Statistics
Number of compounds: 13,289
Number of spectral trees: 30,232
|
Raw |
Filtered |
Recalibrated |
| Positive |
21,821 |
21,821 |
21,821 |
| Negative |
8,411 |
8,411 |
8,411 |
Number of spectra: 12,979,947
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,100,853 |
1,760,601 |
2,983,003 |
| Negative |
1,587,193 |
547,853 |
1,000,444 |
Number of spectra in positive ESI: 9,844,457
|
Raw |
Filtered |
Recalibrated |
| MS1 |
72,753 |
34,194 |
47,794 |
| MS2 |
1,339,479 |
459,902 |
815,327 |
| MS3 |
1,410,448 |
482,291 |
775,710 |
| MS4 |
1,773,639 |
605,676 |
991,236 |
| MS5 |
412,684 |
145,796 |
254,114 |
| MS6 |
76,829 |
27,372 |
74,087 |
| MS7 |
13,477 |
4,805 |
20,708 |
| MS8 |
1,446 |
528 |
3,876 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,135,490
|
Raw |
Filtered |
Recalibrated |
| MS1 |
28,108 |
12,730 |
18,647 |
| MS2 |
510,858 |
176,857 |
297,154 |
| MS3 |
572,236 |
195,405 |
348,305 |
| MS4 |
370,547 |
126,596 |
244,708 |
| MS5 |
94,062 |
32,394 |
74,099 |
| MS6 |
9,842 |
3,346 |
13,919 |
| MS7 |
1,294 |
442 |
3,123 |
| MS8 |
231 |
78 |
480 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 399,376
|
Positive |
Negative |
| MS2 |
94,604 |
37,059 |
| MS3 |
68,328 |
32,941 |
| MS4 |
86,973 |
27,433 |
| MS5 |
27,880 |
9,238 |
| MS6 |
9,818 |
1,753 |
| MS7 |
2,498 |
347 |
| MS8 |
417 |
50 |
| MS9 |
28 |
9 |
Number of peak annotations: 17,124,183
| Formulae |
14,129,425 |
| Structures |
2,994,758 |
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 |
756 |
1,301 |
158,574 |
| 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 |