Legacy mzCloud Statistics
Number of compounds: 13,993
Number of spectral trees: 32,305
|
Raw |
Filtered |
Recalibrated |
| Positive |
23,125 |
23,125 |
23,125 |
| Negative |
9,180 |
9,180 |
9,180 |
Number of spectra: 15,370,134
|
Raw |
Filtered |
Recalibrated |
| Positive |
6,191,296 |
2,126,391 |
3,348,793 |
| Negative |
1,928,085 |
661,492 |
1,114,077 |
Number of spectra in positive ESI: 11,666,480
|
Raw |
Filtered |
Recalibrated |
| MS1 |
76,646 |
35,498 |
49,098 |
| MS2 |
1,574,536 |
538,328 |
893,753 |
| MS3 |
1,696,500 |
578,049 |
871,468 |
| MS4 |
2,101,101 |
715,604 |
1,101,164 |
| MS5 |
576,897 |
201,198 |
309,516 |
| MS6 |
137,242 |
47,816 |
94,531 |
| MS7 |
26,068 |
9,075 |
24,978 |
| MS8 |
2,208 |
786 |
4,134 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,703,654
|
Raw |
Filtered |
Recalibrated |
| MS1 |
30,409 |
13,493 |
19,410 |
| MS2 |
627,593 |
215,552 |
335,848 |
| MS3 |
687,919 |
233,919 |
386,819 |
| MS4 |
437,035 |
148,889 |
267,001 |
| MS5 |
121,005 |
41,460 |
83,160 |
| MS6 |
20,068 |
6,803 |
17,376 |
| MS7 |
3,379 |
1,147 |
3,828 |
| MS8 |
662 |
224 |
626 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 449,022
|
Positive |
Negative |
| MS2 |
101,335 |
40,470 |
| MS3 |
77,331 |
37,163 |
| MS4 |
97,920 |
30,431 |
| MS5 |
34,399 |
10,634 |
| MS6 |
12,706 |
2,337 |
| MS7 |
3,196 |
495 |
| MS8 |
478 |
90 |
| MS9 |
28 |
9 |
Number of peak annotations: 19,252,541
| Formulae |
15,981,531 |
| Structures |
3,271,010 |
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 |
1,377 |
2,720 |
565,976 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,926 |
349,361 |
| Sports Doping Drugs |
848 |
1,517 |
315,931 |
| Steroids/Vitamins/Hormones |
33 |
71 |
18,223 |
| Endogenous Metabolites |
4,023 |
6,466 |
3,084,681 |
| Natural Products/Medicines |
1,743 |
2,333 |
1,158,654 |
| Natural Toxins |
116 |
173 |
184,899 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
907 |
240,470 |
| Pesticides/Herbicides |
1,095 |
2,249 |
1,619,405 |
| Excipients/Additives/Colorants |
276 |
507 |
219,550 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
211 |
347 |
99,128 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
454 |
118,798 |
| Industrial Chemicals |
437 |
797 |
144,682 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |