Legacy mzCloud Statistics
Number of compounds: 13,477
Number of spectral trees: 30,897
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,300 |
22,300 |
22,300 |
| Negative |
8,597 |
8,597 |
8,597 |
Number of spectra: 14,109,706
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,628,899 |
1,938,063 |
3,160,465 |
| Negative |
1,735,306 |
597,191 |
1,049,782 |
Number of spectra in positive ESI: 10,727,427
|
Raw |
Filtered |
Recalibrated |
| MS1 |
74,182 |
34,673 |
48,273 |
| MS2 |
1,436,383 |
492,296 |
847,721 |
| MS3 |
1,545,055 |
527,379 |
820,798 |
| MS4 |
1,947,953 |
664,251 |
1,049,811 |
| MS5 |
494,396 |
173,449 |
281,767 |
| MS6 |
109,401 |
38,431 |
85,146 |
| MS7 |
19,636 |
6,900 |
22,803 |
| MS8 |
1,795 |
647 |
3,995 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,382,279
|
Raw |
Filtered |
Recalibrated |
| MS1 |
28,662 |
12,913 |
18,830 |
| MS2 |
545,223 |
188,183 |
308,480 |
| MS3 |
623,984 |
212,600 |
365,500 |
| MS4 |
409,199 |
139,557 |
257,669 |
| MS5 |
109,913 |
37,726 |
79,431 |
| MS6 |
16,077 |
5,450 |
16,023 |
| MS7 |
1,942 |
659 |
3,340 |
| MS8 |
291 |
98 |
500 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 423,346
|
Positive |
Negative |
| MS2 |
97,409 |
38,009 |
| MS3 |
72,847 |
34,716 |
| MS4 |
93,033 |
29,071 |
| MS5 |
31,142 |
9,971 |
| MS6 |
11,308 |
2,088 |
| MS7 |
2,823 |
393 |
| MS8 |
443 |
56 |
| MS9 |
28 |
9 |
Number of peak annotations: 18,284,807
| Formulae |
15,158,833 |
| Structures |
3,125,974 |
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 |
2,661 |
504,521 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,922 |
347,099 |
| Sports Doping Drugs |
847 |
1,503 |
302,001 |
| Steroids/Vitamins/Hormones |
31 |
67 |
13,752 |
| Endogenous Metabolites |
3,724 |
5,642 |
2,553,139 |
| Natural Products/Medicines |
1,740 |
2,301 |
1,122,208 |
| Natural Toxins |
114 |
167 |
182,369 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
894 |
235,765 |
| Pesticides/Herbicides |
914 |
1,811 |
1,002,038 |
| Excipients/Additives/Colorants |
269 |
447 |
165,396 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
199 |
308 |
73,757 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
443 |
110,875 |
| Industrial Chemicals |
437 |
748 |
109,966 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |