Legacy mzCloud Statistics
Number of compounds: 14,055
Number of spectral trees: 32,510
|
Raw |
Filtered |
Recalibrated |
| Positive |
23,236 |
23,236 |
23,236 |
| Negative |
9,274 |
9,274 |
9,274 |
Number of spectra: 15,499,257
|
Raw |
Filtered |
Recalibrated |
| Positive |
6,237,916 |
2,142,237 |
3,364,639 |
| Negative |
1,958,555 |
671,663 |
1,124,247 |
Number of spectra in positive ESI: 11,744,792
|
Raw |
Filtered |
Recalibrated |
| MS1 |
76,915 |
35,608 |
49,208 |
| MS2 |
1,588,726 |
543,224 |
898,649 |
| MS3 |
1,710,721 |
582,869 |
876,288 |
| MS4 |
2,113,075 |
719,616 |
1,105,176 |
| MS5 |
582,181 |
202,972 |
311,290 |
| MS6 |
137,888 |
48,038 |
94,753 |
| MS7 |
26,104 |
9,087 |
24,990 |
| MS8 |
2,208 |
786 |
4,134 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,754,465
|
Raw |
Filtered |
Recalibrated |
| MS1 |
30,689 |
13,587 |
19,504 |
| MS2 |
638,471 |
219,175 |
339,471 |
| MS3 |
698,724 |
237,522 |
390,421 |
| MS4 |
441,928 |
150,527 |
268,639 |
| MS5 |
123,901 |
42,433 |
84,133 |
| MS6 |
20,753 |
7,032 |
17,605 |
| MS7 |
3,412 |
1,158 |
3,839 |
| MS8 |
662 |
224 |
626 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 452,117
|
Positive |
Negative |
| MS2 |
101,801 |
40,851 |
| MS3 |
77,801 |
37,576 |
| MS4 |
98,362 |
30,694 |
| MS5 |
34,673 |
10,844 |
| MS6 |
12,789 |
2,421 |
| MS7 |
3,201 |
499 |
| MS8 |
478 |
90 |
| MS9 |
28 |
9 |
Number of peak annotations: 19,356,620
| Formulae |
16,063,928 |
| Structures |
3,292,692 |
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 |
1,380 |
2,729 |
576,789 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,926 |
349,361 |
| Sports Doping Drugs |
848 |
1,518 |
316,200 |
| Steroids/Vitamins/Hormones |
54 |
101 |
47,182 |
| Endogenous Metabolites |
4,095 |
6,668 |
3,215,352 |
| Natural Products/Medicines |
1,744 |
2,338 |
1,167,838 |
| Natural Toxins |
117 |
174 |
184,934 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
908 |
240,619 |
| Pesticides/Herbicides |
1,092 |
2,248 |
1,619,109 |
| Excipients/Additives/Colorants |
277 |
512 |
221,326 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
213 |
355 |
103,414 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
455 |
118,947 |
| Industrial Chemicals |
437 |
800 |
145,300 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |