Legacy mzCloud Statistics
Number of compounds: 13,846
Number of spectral trees: 31,870
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,916 |
22,916 |
22,916 |
| Negative |
8,954 |
8,954 |
8,954 |
Number of spectra: 15,126,709
|
Raw |
Filtered |
Recalibrated |
| Positive |
6,104,976 |
2,097,607 |
3,320,009 |
| Negative |
1,868,362 |
641,582 |
1,094,173 |
Number of spectra in positive ESI: 11,522,592
|
Raw |
Filtered |
Recalibrated |
| MS1 |
76,025 |
35,289 |
48,889 |
| MS2 |
1,545,879 |
528,850 |
884,275 |
| MS3 |
1,670,797 |
569,457 |
862,876 |
| MS4 |
2,078,290 |
707,964 |
1,093,524 |
| MS5 |
569,502 |
198,714 |
307,032 |
| MS6 |
136,258 |
47,485 |
94,200 |
| MS7 |
25,919 |
9,025 |
24,928 |
| MS8 |
2,208 |
786 |
4,134 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,604,117
|
Raw |
Filtered |
Recalibrated |
| MS1 |
29,731 |
13,268 |
19,185 |
| MS2 |
599,800 |
206,329 |
326,626 |
| MS3 |
668,396 |
227,393 |
380,293 |
| MS4 |
428,743 |
146,111 |
264,223 |
| MS5 |
118,053 |
40,467 |
82,172 |
| MS6 |
19,668 |
6,667 |
17,240 |
| MS7 |
3,294 |
1,118 |
3,799 |
| MS8 |
662 |
224 |
626 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 443,677
|
Positive |
Negative |
| MS2 |
100,453 |
39,595 |
| MS3 |
76,480 |
36,419 |
| MS4 |
97,090 |
30,012 |
| MS5 |
34,026 |
10,422 |
| MS6 |
12,609 |
2,297 |
| MS7 |
3,180 |
489 |
| MS8 |
478 |
90 |
| MS9 |
28 |
9 |
Number of peak annotations: 19,087,627
| Formulae |
15,851,442 |
| Structures |
3,236,185 |
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 |
1,374 |
2,699 |
544,362 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,925 |
348,136 |
| Sports Doping Drugs |
848 |
1,511 |
305,112 |
| Steroids/Vitamins/Hormones |
32 |
69 |
17,381 |
| Endogenous Metabolites |
3,883 |
6,088 |
2,879,337 |
| Natural Products/Medicines |
1,742 |
2,326 |
1,152,093 |
| Natural Toxins |
115 |
172 |
184,514 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
901 |
238,666 |
| Pesticides/Herbicides |
1,093 |
2,243 |
1,618,861 |
| Excipients/Additives/Colorants |
273 |
481 |
207,908 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
206 |
330 |
94,812 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
450 |
117,471 |
| Industrial Chemicals |
437 |
777 |
140,178 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |