Legacy mzCloud Statistics
Number of compounds: 12,800
Number of spectral trees: 29,259
|
Raw |
Filtered |
Recalibrated |
| Positive |
21,211 |
21,211 |
21,211 |
| Negative |
8,048 |
8,048 |
8,048 |
Number of spectra: 11,610,144
|
Raw |
Filtered |
Recalibrated |
| Positive |
4,581,835 |
1,590,029 |
2,812,429 |
| Negative |
1,279,233 |
446,809 |
899,809 |
Number of spectra in positive ESI: 8,984,293
|
Raw |
Filtered |
Recalibrated |
| MS1 |
70,933 |
33,584 |
47,184 |
| MS2 |
1,225,969 |
422,297 |
777,722 |
| MS3 |
1,250,417 |
428,607 |
722,026 |
| MS4 |
1,564,332 |
537,439 |
922,997 |
| MS5 |
383,570 |
136,830 |
245,148 |
| MS6 |
72,144 |
26,050 |
72,765 |
| MS7 |
12,927 |
4,656 |
20,559 |
| MS8 |
1,445 |
529 |
3,877 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 2,625,851
|
Raw |
Filtered |
Recalibrated |
| MS1 |
27,028 |
12,368 |
18,286 |
| MS2 |
437,439 |
152,538 |
272,924 |
| MS3 |
449,704 |
155,156 |
308,225 |
| MS4 |
282,048 |
97,667 |
215,911 |
| MS5 |
74,192 |
26,018 |
67,741 |
| MS6 |
7,420 |
2,573 |
13,146 |
| MS7 |
1,153 |
403 |
3,084 |
| MS8 |
234 |
81 |
483 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 369,453
|
Positive |
Negative |
| MS2 |
91,234 |
35,129 |
| MS3 |
62,958 |
29,042 |
| MS4 |
79,201 |
23,541 |
| MS5 |
26,396 |
7,919 |
| MS6 |
9,286 |
1,499 |
| MS7 |
2,428 |
318 |
| MS8 |
415 |
50 |
| MS9 |
28 |
9 |
Number of peak annotations: 19,227,977
| Formulae |
16,421,025 |
| Structures |
2,806,952 |
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 |
2,646 |
476,185 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,922 |
347,441 |
| Sports Doping Drugs |
847 |
1,503 |
302,301 |
| Steroids/Vitamins/Hormones |
31 |
67 |
13,752 |
| Endogenous Metabolites |
3,724 |
5,629 |
2,526,242 |
| Natural Products/Medicines |
1,740 |
2,299 |
1,118,278 |
| Natural Toxins |
114 |
165 |
178,643 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
882 |
226,881 |
| Pesticides/Herbicides |
755 |
1,295 |
147,056 |
| Excipients/Additives/Colorants |
269 |
444 |
162,680 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
199 |
308 |
73,808 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
439 |
109,842 |
| Industrial Chemicals |
437 |
737 |
98,962 |
| Perfluorinated Hydrocarbons |
73 |
128 |
32,871 |
| Nanomaterials |
0 |
0 |
0 |