Legacy mzCloud Statistics
Number of compounds: 13,358
Number of spectral trees: 30,534
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,009 |
22,009 |
22,009 |
| Negative |
8,525 |
8,525 |
8,525 |
Number of spectra: 13,509,361
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,322,825 |
1,834,995 |
3,057,397 |
| Negative |
1,682,543 |
579,505 |
1,032,096 |
Number of spectra in positive ESI: 10,215,217
|
Raw |
Filtered |
Recalibrated |
| MS1 |
73,310 |
34,382 |
47,982 |
| MS2 |
1,380,500 |
473,606 |
829,031 |
| MS3 |
1,469,344 |
501,984 |
795,403 |
| MS4 |
1,862,510 |
635,478 |
1,021,038 |
| MS5 |
434,964 |
153,301 |
261,619 |
| MS6 |
85,922 |
30,450 |
77,165 |
| MS7 |
14,720 |
5,225 |
21,128 |
| MS8 |
1,457 |
532 |
3,880 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,294,144
|
Raw |
Filtered |
Recalibrated |
| MS1 |
28,448 |
12,841 |
18,758 |
| MS2 |
532,390 |
183,900 |
304,197 |
| MS3 |
606,970 |
206,904 |
359,804 |
| MS4 |
397,000 |
135,464 |
253,576 |
| MS5 |
103,278 |
35,489 |
77,194 |
| MS6 |
12,373 |
4,200 |
14,773 |
| MS7 |
1,778 |
604 |
3,285 |
| MS8 |
291 |
98 |
500 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 410,366
|
Positive |
Negative |
| MS2 |
95,748 |
37,653 |
| MS3 |
70,208 |
34,124 |
| MS4 |
89,951 |
28,568 |
| MS5 |
28,768 |
9,647 |
| MS6 |
10,299 |
1,916 |
| MS7 |
2,589 |
382 |
| MS8 |
420 |
56 |
| MS9 |
28 |
9 |
Number of peak annotations: 17,728,912
| Formulae |
14,671,296 |
| Structures |
3,057,616 |
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 |
2,652 |
493,710 |
| 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 |
5,630 |
2,525,880 |
| 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 |
805 |
1,471 |
440,645 |
| 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 |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |