Legacy mzCloud Statistics
Number of compounds: 13,630
Number of spectral trees: 31,289
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,584 |
22,584 |
22,584 |
| Negative |
8,705 |
8,705 |
8,705 |
Number of spectra: 14,668,479
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,905,383 |
2,030,788 |
3,253,190 |
| Negative |
1,793,293 |
616,617 |
1,069,208 |
Number of spectra in positive ESI: 11,189,361
|
Raw |
Filtered |
Recalibrated |
| MS1 |
75,034 |
34,957 |
48,557 |
| MS2 |
1,494,027 |
511,549 |
866,974 |
| MS3 |
1,618,666 |
552,033 |
845,452 |
| MS4 |
2,021,631 |
688,963 |
1,074,523 |
| MS5 |
541,700 |
189,381 |
297,699 |
| MS6 |
128,180 |
44,761 |
91,476 |
| MS7 |
23,978 |
8,368 |
24,271 |
| MS8 |
2,069 |
739 |
4,087 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,479,118
|
Raw |
Filtered |
Recalibrated |
| MS1 |
28,984 |
13,021 |
18,938 |
| MS2 |
563,291 |
194,214 |
314,511 |
| MS3 |
640,732 |
218,203 |
371,103 |
| MS4 |
420,823 |
143,454 |
261,566 |
| MS5 |
116,404 |
39,908 |
81,613 |
| MS6 |
19,300 |
6,543 |
17,116 |
| MS7 |
3,130 |
1,062 |
3,743 |
| MS8 |
614 |
207 |
609 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 434,023
|
Positive |
Negative |
| MS2 |
98,937 |
38,490 |
| MS3 |
74,938 |
35,319 |
| MS4 |
95,261 |
29,551 |
| MS5 |
32,850 |
10,278 |
| MS6 |
12,074 |
2,269 |
| MS7 |
3,015 |
472 |
| MS8 |
458 |
74 |
| MS9 |
28 |
9 |
Number of peak annotations: 18,703,414
| Formulae |
15,523,619 |
| Structures |
3,179,795 |
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 |
2,667 |
517,045 |
| 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 |
3,734 |
5,668 |
2,593,432 |
| Natural Products/Medicines |
1,740 |
2,303 |
1,129,127 |
| Natural Toxins |
114 |
168 |
182,768 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
897 |
237,019 |
| Pesticides/Herbicides |
1,055 |
2,166 |
1,528,286 |
| Excipients/Additives/Colorants |
271 |
455 |
178,493 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
201 |
315 |
83,641 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
447 |
116,582 |
| Industrial Chemicals |
437 |
762 |
131,727 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |