Legacy mzCloud Statistics
Number of compounds: 13,764
Number of spectral trees: 31,627
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,802 |
22,802 |
22,802 |
| Negative |
8,825 |
8,825 |
8,825 |
Number of spectra: 14,995,585
|
Raw |
Filtered |
Recalibrated |
| Positive |
6,058,348 |
2,082,010 |
3,304,412 |
| Negative |
1,836,370 |
630,927 |
1,083,518 |
Number of spectra in positive ESI: 11,444,770
|
Raw |
Filtered |
Recalibrated |
| MS1 |
75,685 |
35,175 |
48,775 |
| MS2 |
1,530,942 |
523,866 |
879,291 |
| MS3 |
1,659,734 |
565,758 |
859,177 |
| MS4 |
2,066,850 |
704,131 |
1,089,691 |
| MS5 |
562,588 |
196,397 |
304,715 |
| MS6 |
134,728 |
46,971 |
93,686 |
| MS7 |
25,515 |
8,889 |
24,792 |
| MS8 |
2,208 |
786 |
4,134 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,550,815
|
Raw |
Filtered |
Recalibrated |
| MS1 |
29,344 |
13,140 |
19,057 |
| MS2 |
582,701 |
200,659 |
320,956 |
| MS3 |
656,959 |
223,569 |
376,469 |
| MS4 |
426,285 |
145,284 |
263,396 |
| MS5 |
117,478 |
40,273 |
81,978 |
| MS6 |
19,632 |
6,655 |
17,228 |
| MS7 |
3,294 |
1,118 |
3,799 |
| MS8 |
662 |
224 |
626 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 440,774
|
Positive |
Negative |
| MS2 |
99,996 |
39,045 |
| MS3 |
76,149 |
35,951 |
| MS4 |
96,720 |
29,836 |
| MS5 |
33,687 |
10,371 |
| MS6 |
12,485 |
2,294 |
| MS7 |
3,146 |
489 |
| MS8 |
478 |
90 |
| MS9 |
28 |
9 |
Number of peak annotations: 19,012,082
| Formulae |
15,795,118 |
| Structures |
3,216,964 |
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 |
1,371 |
2,685 |
534,750 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,922 |
347,099 |
| Sports Doping Drugs |
847 |
1,507 |
303,247 |
| Steroids/Vitamins/Hormones |
31 |
68 |
14,067 |
| Endogenous Metabolites |
3,801 |
5,867 |
2,757,207 |
| Natural Products/Medicines |
1,741 |
2,319 |
1,140,806 |
| Natural Toxins |
115 |
172 |
184,514 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
898 |
237,248 |
| Pesticides/Herbicides |
1,093 |
2,243 |
1,618,861 |
| Excipients/Additives/Colorants |
273 |
474 |
205,519 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
202 |
321 |
88,580 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
448 |
117,037 |
| Industrial Chemicals |
437 |
770 |
138,872 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |