Legacy mzCloud Statistics
Number of compounds: 13,967
Number of spectral trees: 32,223
|
Raw |
Filtered |
Recalibrated |
| Positive |
23,078 |
23,078 |
23,078 |
| Negative |
9,145 |
9,145 |
9,145 |
Number of spectra: 15,310,750
|
Raw |
Filtered |
Recalibrated |
| Positive |
6,169,609 |
2,119,170 |
3,341,572 |
| Negative |
1,914,152 |
656,831 |
1,109,416 |
Number of spectra in positive ESI: 11,630,351
|
Raw |
Filtered |
Recalibrated |
| MS1 |
76,506 |
35,451 |
49,051 |
| MS2 |
1,567,955 |
536,172 |
891,597 |
| MS3 |
1,689,939 |
575,855 |
869,274 |
| MS4 |
2,095,994 |
713,890 |
1,099,450 |
| MS5 |
574,316 |
200,329 |
308,647 |
| MS6 |
136,650 |
47,617 |
94,332 |
| MS7 |
25,943 |
9,033 |
24,936 |
| MS8 |
2,208 |
786 |
4,134 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,680,399
|
Raw |
Filtered |
Recalibrated |
| MS1 |
30,304 |
13,458 |
19,375 |
| MS2 |
622,974 |
214,010 |
334,306 |
| MS3 |
683,323 |
232,383 |
385,283 |
| MS4 |
433,981 |
147,864 |
265,976 |
| MS5 |
119,559 |
40,975 |
82,675 |
| MS6 |
19,955 |
6,765 |
17,338 |
| MS7 |
3,379 |
1,147 |
3,828 |
| MS8 |
662 |
224 |
626 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 447,650
|
Positive |
Negative |
| MS2 |
101,132 |
40,319 |
| MS3 |
77,121 |
37,008 |
| MS4 |
97,725 |
30,301 |
| MS5 |
34,278 |
10,510 |
| MS6 |
12,657 |
2,316 |
| MS7 |
3,183 |
495 |
| MS8 |
478 |
90 |
| MS9 |
28 |
9 |
Number of peak annotations: 19,209,723
| Formulae |
15,945,590 |
| Structures |
3,264,133 |
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 |
1,376 |
2,712 |
556,323 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,925 |
348,136 |
| Sports Doping Drugs |
848 |
1,512 |
308,965 |
| Steroids/Vitamins/Hormones |
33 |
71 |
18,223 |
| Endogenous Metabolites |
4,001 |
6,401 |
3,037,280 |
| Natural Products/Medicines |
1,743 |
2,331 |
1,158,165 |
| Natural Toxins |
115 |
172 |
184,514 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
907 |
240,470 |
| Pesticides/Herbicides |
1,095 |
2,249 |
1,619,405 |
| Excipients/Additives/Colorants |
276 |
504 |
218,845 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
211 |
346 |
99,108 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
454 |
118,798 |
| Industrial Chemicals |
437 |
793 |
143,947 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |