Legacy mzCloud Statistics
Number of compounds: 13,709
Number of spectral trees: 31,494
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,714 |
22,714 |
22,714 |
| Negative |
8,780 |
8,780 |
8,780 |
Number of spectra: 14,883,900
|
Raw |
Filtered |
Recalibrated |
| Positive |
6,005,976 |
2,064,517 |
3,286,919 |
| Negative |
1,821,777 |
626,060 |
1,078,651 |
Number of spectra in positive ESI: 11,357,412
|
Raw |
Filtered |
Recalibrated |
| MS1 |
75,422 |
35,087 |
48,687 |
| MS2 |
1,518,572 |
519,744 |
875,169 |
| MS3 |
1,644,275 |
560,600 |
854,019 |
| MS4 |
2,049,268 |
698,246 |
1,083,806 |
| MS5 |
556,997 |
194,530 |
302,848 |
| MS6 |
133,844 |
46,673 |
93,388 |
| MS7 |
25,292 |
8,814 |
24,717 |
| MS8 |
2,208 |
786 |
4,134 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,526,488
|
Raw |
Filtered |
Recalibrated |
| MS1 |
29,209 |
13,095 |
19,012 |
| MS2 |
576,248 |
198,506 |
318,803 |
| MS3 |
651,649 |
221,800 |
374,700 |
| MS4 |
423,866 |
144,476 |
262,588 |
| MS5 |
117,232 |
40,191 |
81,896 |
| MS6 |
19,602 |
6,645 |
17,218 |
| MS7 |
3,294 |
1,118 |
3,799 |
| MS8 |
662 |
224 |
626 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 438,477
|
Positive |
Negative |
| MS2 |
99,612 |
38,854 |
| MS3 |
75,666 |
35,749 |
| MS4 |
96,156 |
29,721 |
| MS5 |
33,454 |
10,349 |
| MS6 |
12,410 |
2,292 |
| MS7 |
3,120 |
489 |
| MS8 |
478 |
90 |
| MS9 |
28 |
9 |
Number of peak annotations: 18,889,586
| Formulae |
15,686,770 |
| Structures |
3,202,816 |
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 |
2,677 |
524,185 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,922 |
347,099 |
| Sports Doping Drugs |
847 |
1,507 |
303,247 |
| Steroids/Vitamins/Hormones |
31 |
67 |
13,752 |
| Endogenous Metabolites |
3,763 |
5,771 |
2,693,254 |
| Natural Products/Medicines |
1,741 |
2,314 |
1,137,551 |
| Natural Toxins |
115 |
172 |
184,514 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
898 |
237,248 |
| Pesticides/Herbicides |
1,093 |
2,242 |
1,618,406 |
| Excipients/Additives/Colorants |
273 |
469 |
201,394 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
202 |
320 |
88,125 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
447 |
116,582 |
| Industrial Chemicals |
437 |
766 |
134,548 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |