Legacy mzCloud Statistics
Number of compounds: 13,410
Number of spectral trees: 30,709
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,146 |
22,146 |
22,146 |
| Negative |
8,563 |
8,563 |
8,563 |
Number of spectra: 13,813,621
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,473,362 |
1,885,712 |
3,108,114 |
| Negative |
1,713,844 |
589,999 |
1,042,590 |
Number of spectra in positive ESI: 10,467,188
|
Raw |
Filtered |
Recalibrated |
| MS1 |
73,721 |
34,519 |
48,119 |
| MS2 |
1,407,674 |
482,695 |
838,120 |
| MS3 |
1,506,476 |
514,462 |
807,881 |
| MS4 |
1,904,851 |
649,749 |
1,035,309 |
| MS5 |
462,769 |
162,729 |
271,047 |
| MS6 |
98,203 |
34,614 |
81,329 |
| MS7 |
17,872 |
6,294 |
22,197 |
| MS8 |
1,698 |
613 |
3,961 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,346,433
|
Raw |
Filtered |
Recalibrated |
| MS1 |
28,562 |
12,879 |
18,796 |
| MS2 |
539,057 |
186,127 |
306,424 |
| MS3 |
615,918 |
209,899 |
362,799 |
| MS4 |
403,679 |
137,703 |
255,815 |
| MS5 |
108,358 |
37,199 |
78,904 |
| MS6 |
16,022 |
5,430 |
16,003 |
| MS7 |
1,942 |
659 |
3,340 |
| MS8 |
291 |
98 |
500 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 416,938
|
Positive |
Negative |
| MS2 |
96,535 |
37,829 |
| MS3 |
71,490 |
34,433 |
| MS4 |
91,511 |
28,820 |
| MS5 |
29,903 |
9,866 |
| MS6 |
10,826 |
2,082 |
| MS7 |
2,722 |
393 |
| MS8 |
435 |
56 |
| MS9 |
28 |
9 |
Number of peak annotations: 18,021,658
| Formulae |
14,928,924 |
| Structures |
3,092,734 |
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 |
2,657 |
501,413 |
| 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 |
5,638 |
2,544,476 |
| 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 |
893 |
235,480 |
| Pesticides/Herbicides |
845 |
1,627 |
706,789 |
| 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 |
443 |
110,875 |
| Industrial Chemicals |
437 |
742 |
104,648 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |