Legacy mzCloud Statistics
Number of compounds: 11,396
Number of spectral trees: 27,587
|
Raw |
Filtered |
Recalibrated |
| Positive |
19,710 |
19,710 |
19,710 |
| Negative |
7,877 |
7,877 |
7,877 |
Number of spectra: 9,120,655
|
Raw |
Filtered |
Recalibrated |
| Positive |
3,238,234 |
1,138,511 |
2,360,960 |
| Negative |
1,134,177 |
397,899 |
850,874 |
Number of spectra in positive ESI: 6,737,705
|
Raw |
Filtered |
Recalibrated |
| MS1 |
66,460 |
32,083 |
45,683 |
| MS2 |
946,871 |
328,968 |
684,393 |
| MS3 |
848,750 |
294,198 |
587,617 |
| MS4 |
960,044 |
333,585 |
719,192 |
| MS5 |
341,068 |
122,370 |
230,688 |
| MS6 |
63,323 |
23,012 |
69,727 |
| MS7 |
10,509 |
3,841 |
19,744 |
| MS8 |
1,111 |
417 |
3,765 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 2,382,950
|
Raw |
Filtered |
Recalibrated |
| MS1 |
26,518 |
12,197 |
18,115 |
| MS2 |
399,751 |
139,907 |
260,293 |
| MS3 |
392,911 |
136,048 |
289,101 |
| MS4 |
248,080 |
86,136 |
204,371 |
| MS5 |
59,875 |
21,145 |
62,868 |
| MS6 |
5,770 |
2,021 |
12,594 |
| MS7 |
1,023 |
359 |
3,040 |
| MS8 |
234 |
81 |
483 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 318,483
|
Positive |
Negative |
| MS2 |
83,340 |
34,045 |
| MS3 |
50,673 |
27,123 |
| MS4 |
57,119 |
22,050 |
| MS5 |
24,405 |
7,080 |
| MS6 |
8,403 |
1,314 |
| MS7 |
2,188 |
296 |
| MS8 |
360 |
50 |
| MS9 |
28 |
9 |
Number of peak annotations: 15,114,659
| Formulae |
13,031,576 |
| Structures |
2,083,083 |
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 |
861 |
218,294 |
| 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 |
435 |
108,893 |
| Industrial Chemicals |
437 |
737 |
98,962 |
| Perfluorinated Hydrocarbons |
40 |
79 |
16,492 |
| Nanomaterials |
0 |
0 |
0 |