Legacy mzCloud Statistics
Number of compounds: 13,516
Number of spectral trees: 31,017
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,394 |
22,394 |
22,394 |
| Negative |
8,623 |
8,623 |
8,623 |
Number of spectra: 14,282,041
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,716,360 |
1,967,451 |
3,189,853 |
| Negative |
1,750,934 |
602,426 |
1,055,017 |
Number of spectra in positive ESI: 10,873,664
|
Raw |
Filtered |
Recalibrated |
| MS1 |
74,464 |
34,767 |
48,367 |
| MS2 |
1,454,869 |
498,479 |
853,904 |
| MS3 |
1,569,327 |
535,527 |
828,946 |
| MS4 |
1,970,376 |
671,784 |
1,057,344 |
| MS5 |
509,024 |
178,389 |
286,707 |
| MS6 |
115,223 |
40,394 |
87,109 |
| MS7 |
21,091 |
7,396 |
23,299 |
| MS8 |
1,888 |
678 |
4,026 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,408,377
|
Raw |
Filtered |
Recalibrated |
| MS1 |
28,740 |
12,939 |
18,856 |
| MS2 |
550,179 |
189,838 |
310,135 |
| MS3 |
629,580 |
214,472 |
367,372 |
| MS4 |
412,879 |
140,793 |
258,905 |
| MS5 |
110,854 |
38,043 |
79,748 |
| MS6 |
16,385 |
5,555 |
16,128 |
| MS7 |
2,011 |
683 |
3,364 |
| MS8 |
291 |
98 |
500 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 426,894
|
Positive |
Negative |
| MS2 |
97,932 |
38,141 |
| MS3 |
73,589 |
34,923 |
| MS4 |
93,812 |
29,251 |
| MS5 |
31,706 |
10,037 |
| MS6 |
11,568 |
2,110 |
| MS7 |
2,885 |
398 |
| MS8 |
449 |
56 |
| MS9 |
28 |
9 |
Number of peak annotations: 18,416,608
| Formulae |
15,271,501 |
| Structures |
3,145,107 |
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 |
2,663 |
505,095 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,922 |
347,099 |
| Sports Doping Drugs |
847 |
1,504 |
302,400 |
| Steroids/Vitamins/Hormones |
31 |
67 |
13,752 |
| Endogenous Metabolites |
3,724 |
5,645 |
2,562,173 |
| Natural Products/Medicines |
1,740 |
2,302 |
1,122,607 |
| Natural Toxins |
114 |
168 |
182,768 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
895 |
236,349 |
| Pesticides/Herbicides |
949 |
1,923 |
1,159,724 |
| Excipients/Additives/Colorants |
269 |
449 |
169,193 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
199 |
309 |
74,341 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
444 |
111,459 |
| Industrial Chemicals |
437 |
751 |
113,683 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |