Legacy mzCloud Statistics
Number of compounds: 13,905
Number of spectral trees: 32,070
|
Raw |
Filtered |
Recalibrated |
| Positive |
23,001 |
23,001 |
23,001 |
| Negative |
9,069 |
9,069 |
9,069 |
Number of spectra: 15,220,228
|
Raw |
Filtered |
Recalibrated |
| Positive |
6,133,930 |
2,107,224 |
3,329,626 |
| Negative |
1,895,567 |
650,645 |
1,103,236 |
Number of spectra in positive ESI: 11,570,780
|
Raw |
Filtered |
Recalibrated |
| MS1 |
76,276 |
35,374 |
48,974 |
| MS2 |
1,556,805 |
532,451 |
887,876 |
| MS3 |
1,678,925 |
572,170 |
865,589 |
| MS4 |
2,085,897 |
710,505 |
1,096,065 |
| MS5 |
571,241 |
199,290 |
307,608 |
| MS6 |
136,537 |
47,578 |
94,293 |
| MS7 |
25,943 |
9,033 |
24,936 |
| MS8 |
2,208 |
786 |
4,134 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,649,448
|
Raw |
Filtered |
Recalibrated |
| MS1 |
30,076 |
13,383 |
19,300 |
| MS2 |
614,401 |
211,174 |
331,471 |
| MS3 |
677,443 |
230,419 |
383,319 |
| MS4 |
431,585 |
147,062 |
265,174 |
| MS5 |
118,399 |
40,585 |
82,290 |
| MS6 |
19,692 |
6,675 |
17,248 |
| MS7 |
3,294 |
1,118 |
3,799 |
| MS8 |
662 |
224 |
626 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 445,685
|
Positive |
Negative |
| MS2 |
100,783 |
40,035 |
| MS3 |
76,737 |
36,791 |
| MS4 |
97,355 |
30,188 |
| MS5 |
34,121 |
10,457 |
| MS6 |
12,641 |
2,300 |
| MS7 |
3,183 |
489 |
| MS8 |
478 |
90 |
| MS9 |
28 |
9 |
Number of peak annotations: 19,149,351
| Formulae |
15,899,321 |
| Structures |
3,250,030 |
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 |
1,375 |
2,702 |
545,156 |
| 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 |
3,937 |
6,263 |
2,959,503 |
| 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 |
902 |
238,736 |
| Pesticides/Herbicides |
1,093 |
2,245 |
1,619,036 |
| Excipients/Additives/Colorants |
274 |
495 |
212,066 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
207 |
338 |
96,131 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
451 |
117,541 |
| Industrial Chemicals |
437 |
788 |
142,730 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |