Legacy mzCloud Statistics
Number of compounds: 13,281
Number of spectral trees: 30,188
|
Raw |
Filtered |
Recalibrated |
| Positive |
21,803 |
21,803 |
21,803 |
| Negative |
8,385 |
8,385 |
8,385 |
Number of spectra: 12,912,924
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,083,617 |
1,754,836 |
2,977,238 |
| Negative |
1,564,252 |
540,195 |
992,786 |
Number of spectra in positive ESI: 9,815,691
|
Raw |
Filtered |
Recalibrated |
| MS1 |
72,699 |
34,176 |
47,776 |
| MS2 |
1,336,035 |
458,754 |
814,179 |
| MS3 |
1,405,159 |
480,518 |
773,937 |
| MS4 |
1,767,686 |
603,685 |
989,245 |
| 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: 3,097,233
|
Raw |
Filtered |
Recalibrated |
| MS1 |
28,030 |
12,704 |
18,621 |
| MS2 |
505,933 |
175,215 |
295,512 |
| MS3 |
564,428 |
192,800 |
345,700 |
| MS4 |
362,445 |
123,889 |
242,001 |
| MS5 |
92,343 |
31,819 |
73,524 |
| MS6 |
9,572 |
3,256 |
13,829 |
| MS7 |
1,255 |
429 |
3,110 |
| MS8 |
231 |
78 |
480 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 398,102
|
Positive |
Negative |
| MS2 |
94,509 |
36,939 |
| MS3 |
68,153 |
32,733 |
| MS4 |
86,781 |
27,178 |
| MS5 |
27,825 |
9,157 |
| MS6 |
9,783 |
1,729 |
| MS7 |
2,469 |
342 |
| MS8 |
417 |
50 |
| MS9 |
28 |
9 |
Number of peak annotations: 17,019,276
| Formulae |
14,030,510 |
| Structures |
2,988,766 |
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 |
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 |
442 |
110,710 |
| Industrial Chemicals |
437 |
738 |
99,714 |
| Perfluorinated Hydrocarbons |
102 |
168 |
59,670 |
| Nanomaterials |
0 |
0 |
0 |