Legacy mzCloud Statistics
Number of compounds: 13,674
Number of spectral trees: 31,416
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,668 |
22,668 |
22,668 |
| Negative |
8,748 |
8,748 |
8,748 |
Number of spectra: 14,809,008
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,971,101 |
2,052,810 |
3,275,212 |
| Negative |
1,811,710 |
622,792 |
1,075,383 |
Number of spectra in positive ESI: 11,299,123
|
Raw |
Filtered |
Recalibrated |
| MS1 |
75,285 |
35,041 |
48,641 |
| MS2 |
1,510,493 |
517,047 |
872,472 |
| MS3 |
1,633,387 |
556,953 |
850,372 |
| MS4 |
2,038,003 |
694,450 |
1,080,010 |
| MS5 |
553,115 |
193,220 |
301,538 |
| MS6 |
133,236 |
46,468 |
93,183 |
| MS7 |
25,276 |
8,808 |
24,711 |
| MS8 |
2,208 |
786 |
4,134 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,509,885
|
Raw |
Filtered |
Recalibrated |
| MS1 |
29,113 |
13,064 |
18,981 |
| MS2 |
571,332 |
196,898 |
317,195 |
| MS3 |
647,409 |
220,445 |
373,345 |
| MS4 |
423,115 |
144,224 |
262,336 |
| MS5 |
117,168 |
40,169 |
81,874 |
| MS6 |
19,602 |
6,645 |
17,218 |
| MS7 |
3,294 |
1,118 |
3,799 |
| MS8 |
662 |
224 |
626 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 436,987
|
Positive |
Negative |
| MS2 |
99,372 |
38,705 |
| MS3 |
75,361 |
35,581 |
| MS4 |
95,769 |
29,684 |
| MS5 |
33,312 |
10,344 |
| MS6 |
12,355 |
2,292 |
| MS7 |
3,118 |
489 |
| MS8 |
478 |
90 |
| MS9 |
28 |
9 |
Number of peak annotations: 18,822,606
| Formulae |
15,628,808 |
| Structures |
3,193,798 |
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 |
1,371 |
2,672 |
521,952 |
| 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 |
3,749 |
5,726 |
2,659,786 |
| Natural Products/Medicines |
1,741 |
2,308 |
1,132,041 |
| Natural Toxins |
115 |
170 |
183,128 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
897 |
237,019 |
| Pesticides/Herbicides |
1,083 |
2,225 |
1,591,035 |
| Excipients/Additives/Colorants |
273 |
467 |
200,776 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
202 |
318 |
86,739 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
447 |
116,582 |
| Industrial Chemicals |
437 |
766 |
134,548 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |