Legacy mzCloud Statistics
Number of compounds: 12,565
Number of spectral trees: 28,835
|
Raw |
Filtered |
Recalibrated |
| Positive |
20,889 |
20,889 |
20,889 |
| Negative |
7,946 |
7,946 |
7,946 |
Number of spectra: 10,973,398
|
Raw |
Filtered |
Recalibrated |
| Positive |
4,309,429 |
1,498,407 |
2,720,807 |
| Negative |
1,171,071 |
410,342 |
863,342 |
Number of spectra in positive ESI: 8,528,643
|
Raw |
Filtered |
Recalibrated |
| MS1 |
69,967 |
33,262 |
46,862 |
| MS2 |
1,163,781 |
401,492 |
756,917 |
| MS3 |
1,175,986 |
403,683 |
697,102 |
| MS4 |
1,462,428 |
503,131 |
888,689 |
| MS5 |
356,576 |
127,611 |
235,929 |
| MS6 |
67,071 |
24,295 |
71,010 |
| MS7 |
12,130 |
4,385 |
20,288 |
| MS8 |
1,392 |
511 |
3,859 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 2,444,755
|
Raw |
Filtered |
Recalibrated |
| MS1 |
26,722 |
12,266 |
18,184 |
| MS2 |
411,409 |
143,836 |
264,222 |
| MS3 |
405,930 |
140,441 |
293,510 |
| MS4 |
255,993 |
88,807 |
207,051 |
| MS5 |
63,475 |
22,358 |
64,081 |
| MS6 |
6,222 |
2,173 |
12,746 |
| MS7 |
1,071 |
375 |
3,056 |
| MS8 |
234 |
81 |
483 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 355,545
|
Positive |
Negative |
| MS2 |
89,476 |
34,418 |
| MS3 |
60,684 |
27,577 |
| MS4 |
75,410 |
22,391 |
| MS5 |
25,041 |
7,325 |
| MS6 |
8,730 |
1,362 |
| MS7 |
2,332 |
308 |
| MS8 |
404 |
50 |
| MS9 |
28 |
9 |
Number of peak annotations: 18,384,156
| Formulae |
15,735,622 |
| Structures |
2,648,534 |
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 |
476,185 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,922 |
347,441 |
| Sports Doping Drugs |
847 |
1,503 |
302,301 |
| Steroids/Vitamins/Hormones |
31 |
67 |
13,752 |
| Endogenous Metabolites |
3,724 |
5,629 |
2,526,242 |
| Natural Products/Medicines |
1,740 |
2,299 |
1,118,278 |
| Natural Toxins |
114 |
165 |
178,643 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
549 |
873 |
221,227 |
| Pesticides/Herbicides |
755 |
1,295 |
147,056 |
| Excipients/Additives/Colorants |
269 |
442 |
162,316 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
199 |
308 |
73,808 |
| Textile Chemicals/Auxiliary/Dyes |
291 |
436 |
109,098 |
| Industrial Chemicals |
437 |
737 |
98,962 |
| Perfluorinated Hydrocarbons |
68 |
123 |
32,120 |
| Nanomaterials |
0 |
0 |
0 |