Legacy mzCloud Statistics
Number of compounds: 13,553
Number of spectral trees: 31,128
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,477 |
22,477 |
22,477 |
| Negative |
8,651 |
8,651 |
8,651 |
Number of spectra: 14,460,494
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,801,969 |
1,996,170 |
3,218,572 |
| Negative |
1,772,132 |
609,530 |
1,062,121 |
Number of spectra in positive ESI: 11,016,711
|
Raw |
Filtered |
Recalibrated |
| MS1 |
74,713 |
34,850 |
48,450 |
| MS2 |
1,471,978 |
504,189 |
859,614 |
| MS3 |
1,592,510 |
543,282 |
836,701 |
| MS4 |
1,994,080 |
679,735 |
1,065,295 |
| MS5 |
524,258 |
183,531 |
291,849 |
| MS6 |
120,312 |
42,119 |
88,834 |
| MS7 |
22,050 |
7,721 |
23,624 |
| MS8 |
1,970 |
706 |
4,054 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,443,783
|
Raw |
Filtered |
Recalibrated |
| MS1 |
28,824 |
12,967 |
18,884 |
| MS2 |
555,440 |
191,594 |
311,891 |
| MS3 |
635,405 |
216,421 |
369,321 |
| MS4 |
417,426 |
142,317 |
260,429 |
| MS5 |
113,539 |
38,942 |
80,647 |
| MS6 |
18,074 |
6,128 |
16,701 |
| MS7 |
2,857 |
970 |
3,651 |
| MS8 |
552 |
186 |
588 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 430,330
|
Positive |
Negative |
| MS2 |
98,384 |
38,275 |
| MS3 |
74,255 |
35,147 |
| MS4 |
94,526 |
29,421 |
| MS5 |
32,261 |
10,155 |
| MS6 |
11,765 |
2,197 |
| MS7 |
2,926 |
455 |
| MS8 |
453 |
73 |
| MS9 |
28 |
9 |
Number of peak annotations: 18,535,295
| Formulae |
15,373,240 |
| Structures |
3,162,055 |
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 |
2,663 |
505,095 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,922 |
347,099 |
| Sports Doping Drugs |
847 |
1,504 |
302,400 |
| Steroids/Vitamins/Hormones |
31 |
67 |
13,752 |
| Endogenous Metabolites |
3,724 |
5,645 |
2,562,173 |
| Natural Products/Medicines |
1,740 |
2,302 |
1,122,607 |
| Natural Toxins |
114 |
168 |
182,768 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
897 |
237,019 |
| Pesticides/Herbicides |
983 |
2,024 |
1,343,947 |
| Excipients/Additives/Colorants |
269 |
449 |
169,193 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
199 |
309 |
74,341 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
446 |
116,467 |
| Industrial Chemicals |
437 |
760 |
131,517 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |