Legacy mzCloud Statistics
Number of compounds: 13,406
Number of spectral trees: 30,690
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,130 |
22,130 |
22,130 |
| Negative |
8,560 |
8,560 |
8,560 |
Number of spectra: 13,783,965
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,458,196 |
1,880,584 |
3,102,986 |
| Negative |
1,711,316 |
589,146 |
1,041,737 |
Number of spectra in positive ESI: 10,441,766
|
Raw |
Filtered |
Recalibrated |
| MS1 |
73,673 |
34,503 |
48,103 |
| MS2 |
1,404,353 |
481,588 |
837,013 |
| MS3 |
1,501,990 |
512,954 |
806,373 |
| MS4 |
1,900,468 |
648,261 |
1,033,821 |
| MS5 |
460,483 |
161,943 |
270,261 |
| MS6 |
97,617 |
34,411 |
81,126 |
| MS7 |
17,816 |
6,274 |
22,177 |
| MS8 |
1,698 |
613 |
3,961 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,342,199
|
Raw |
Filtered |
Recalibrated |
| MS1 |
28,553 |
12,876 |
18,793 |
| MS2 |
538,447 |
185,923 |
306,220 |
| MS3 |
614,820 |
209,530 |
362,430 |
| MS4 |
403,055 |
137,493 |
255,605 |
| MS5 |
108,171 |
37,132 |
78,837 |
| MS6 |
16,022 |
5,430 |
16,003 |
| MS7 |
1,942 |
659 |
3,340 |
| MS8 |
291 |
98 |
500 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 416,281
|
Positive |
Negative |
| MS2 |
96,437 |
37,813 |
| MS3 |
71,330 |
34,387 |
| MS4 |
91,346 |
28,795 |
| MS5 |
29,797 |
9,855 |
| MS6 |
10,798 |
2,082 |
| MS7 |
2,720 |
393 |
| MS8 |
435 |
56 |
| MS9 |
28 |
9 |
Number of peak annotations: 17,996,081
| Formulae |
14,906,931 |
| Structures |
3,089,150 |
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 |
2,656 |
501,128 |
| 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 |
5,635 |
2,541,118 |
| 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 |
842 |
1,611 |
679,114 |
| 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 |
740 |
104,028 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |