Legacy mzCloud Statistics
Number of compounds: 14,097
Number of spectral trees: 32,683
|
Raw |
Filtered |
Recalibrated |
| Positive |
23,316 |
23,316 |
23,316 |
| Negative |
9,367 |
9,367 |
9,367 |
Number of spectra: 15,609,571
|
Raw |
Filtered |
Recalibrated |
| Positive |
6,273,219 |
2,154,043 |
3,376,444 |
| Negative |
1,989,613 |
681,834 |
1,134,418 |
Number of spectra in positive ESI: 11,803,706
|
Raw |
Filtered |
Recalibrated |
| MS1 |
77,153 |
35,688 |
49,288 |
| MS2 |
1,600,889 |
547,280 |
902,705 |
| MS3 |
1,719,846 |
585,918 |
879,336 |
| MS4 |
2,121,217 |
722,342 |
1,107,902 |
| MS5 |
586,299 |
204,356 |
312,674 |
| MS6 |
139,124 |
48,454 |
95,169 |
| MS7 |
26,385 |
9,182 |
25,085 |
| MS8 |
2,208 |
786 |
4,134 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,805,865
|
Raw |
Filtered |
Recalibrated |
| MS1 |
30,968 |
13,679 |
19,596 |
| MS2 |
651,667 |
223,513 |
343,809 |
| MS3 |
709,992 |
241,162 |
394,061 |
| MS4 |
446,285 |
151,980 |
270,092 |
| MS5 |
125,699 |
43,027 |
84,727 |
| MS6 |
20,913 |
7,086 |
17,659 |
| MS7 |
3,412 |
1,158 |
3,839 |
| MS8 |
662 |
224 |
626 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 454,732
|
Positive |
Negative |
| MS2 |
102,194 |
41,288 |
| MS3 |
78,112 |
37,994 |
| MS4 |
98,650 |
30,923 |
| MS5 |
34,890 |
10,975 |
| MS6 |
12,915 |
2,441 |
| MS7 |
3,246 |
499 |
| MS8 |
478 |
90 |
| MS9 |
28 |
9 |
Number of peak annotations: 19,410,251
| Formulae |
16,102,815 |
| Structures |
3,307,436 |
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 |
1,383 |
2,740 |
584,989 |
| Drugs of Abuse/Illegal Drugs |
1,185 |
1,926 |
349,361 |
| Sports Doping Drugs |
849 |
1,520 |
320,745 |
| Steroids/Vitamins/Hormones |
58 |
114 |
63,393 |
| Endogenous Metabolites |
4,134 |
6,830 |
3,318,278 |
| Natural Products/Medicines |
1,744 |
2,342 |
1,169,942 |
| Natural Toxins |
118 |
175 |
185,143 |
| 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 |
278 |
516 |
223,120 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
213 |
360 |
105,763 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
456 |
119,677 |
| Industrial Chemicals |
437 |
801 |
145,405 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |