Legacy mzCloud Statistics
Number of compounds: 13,458
Number of spectral trees: 30,849
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,266 |
22,266 |
22,266 |
| Negative |
8,583 |
8,583 |
8,583 |
Number of spectra: 14,035,494
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,593,213 |
1,926,076 |
3,148,478 |
| Negative |
1,726,592 |
594,272 |
1,046,863 |
Number of spectra in positive ESI: 10,667,767
|
Raw |
Filtered |
Recalibrated |
| MS1 |
74,080 |
34,639 |
48,239 |
| MS2 |
1,429,696 |
490,061 |
845,486 |
| MS3 |
1,536,066 |
524,376 |
817,795 |
| MS4 |
1,937,525 |
660,745 |
1,046,305 |
| MS5 |
486,432 |
170,755 |
279,073 |
| MS6 |
107,966 |
37,943 |
84,658 |
| MS7 |
19,555 |
6,873 |
22,776 |
| MS8 |
1,795 |
647 |
3,995 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,367,727
|
Raw |
Filtered |
Recalibrated |
| MS1 |
28,620 |
12,899 |
18,816 |
| MS2 |
542,737 |
187,354 |
307,651 |
| MS3 |
620,557 |
211,453 |
364,353 |
| MS4 |
406,996 |
138,817 |
256,929 |
| MS5 |
109,412 |
37,557 |
79,262 |
| MS6 |
16,022 |
5,430 |
16,003 |
| MS7 |
1,942 |
659 |
3,340 |
| MS8 |
291 |
98 |
500 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 421,792
|
Positive |
Negative |
| MS2 |
97,213 |
37,934 |
| MS3 |
72,553 |
34,604 |
| MS4 |
92,691 |
28,962 |
| MS5 |
30,827 |
9,942 |
| MS6 |
11,236 |
2,082 |
| MS7 |
2,819 |
393 |
| MS8 |
443 |
56 |
| MS9 |
28 |
9 |
Number of peak annotations: 18,231,685
| Formulae |
15,112,784 |
| Structures |
3,118,901 |
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 |
2,659 |
503,642 |
| 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 |
5,642 |
2,553,139 |
| Natural Products/Medicines |
1,740 |
2,301 |
1,122,208 |
| Natural Toxins |
114 |
167 |
182,369 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
893 |
235,480 |
| Pesticides/Herbicides |
892 |
1,764 |
916,070 |
| Excipients/Additives/Colorants |
269 |
447 |
165,396 |
| 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 |
747 |
109,574 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |