Legacy mzCloud Statistics
Number of compounds: 13,589
Number of spectral trees: 31,198
|
Raw |
Filtered |
Recalibrated |
| Positive |
22,525 |
22,525 |
22,525 |
| Negative |
8,673 |
8,673 |
8,673 |
Number of spectra: 14,539,712
|
Raw |
Filtered |
Recalibrated |
| Positive |
5,841,650 |
2,009,456 |
3,231,858 |
| Negative |
1,779,897 |
612,130 |
1,064,721 |
Number of spectra in positive ESI: 11,082,964
|
Raw |
Filtered |
Recalibrated |
| MS1 |
74,857 |
34,898 |
48,498 |
| MS2 |
1,482,547 |
507,718 |
863,143 |
| MS3 |
1,604,575 |
547,320 |
840,739 |
| MS4 |
2,004,157 |
683,114 |
1,068,674 |
| MS5 |
528,902 |
185,090 |
293,408 |
| MS6 |
121,888 |
42,648 |
89,363 |
| MS7 |
22,656 |
7,925 |
23,828 |
| MS8 |
1,970 |
706 |
4,054 |
| MS9 |
98 |
37 |
151 |
Number of spectra in negative ESI: 3,456,748
|
Raw |
Filtered |
Recalibrated |
| MS1 |
28,888 |
12,989 |
18,906 |
| MS2 |
558,357 |
192,567 |
312,864 |
| MS3 |
637,121 |
216,996 |
369,896 |
| MS4 |
418,238 |
142,589 |
260,701 |
| MS5 |
114,662 |
39,318 |
81,023 |
| MS6 |
18,908 |
6,409 |
16,982 |
| MS7 |
3,094 |
1,050 |
3,731 |
| MS8 |
614 |
207 |
609 |
| MS9 |
15 |
5 |
9 |
Number of precursors: 431,654
|
Positive |
Negative |
| MS2 |
98,652 |
38,357 |
| MS3 |
74,573 |
35,206 |
| MS4 |
94,789 |
29,453 |
| MS5 |
32,402 |
10,191 |
| MS6 |
11,808 |
2,244 |
| MS7 |
2,948 |
467 |
| MS8 |
453 |
74 |
| MS9 |
28 |
9 |
Number of peak annotations: 18,622,049
| Formulae |
15,453,732 |
| Structures |
3,168,317 |
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 |
2,665 |
514,258 |
| 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 |
3,724 |
5,646 |
2,562,288 |
| Natural Products/Medicines |
1,740 |
2,302 |
1,122,607 |
| Natural Toxins |
114 |
168 |
182,768 |
| Counterfeit Drug (Therapeutic) |
71 |
117 |
11,398 |
| Extractables/Leachables |
550 |
897 |
237,019 |
| Pesticides/Herbicides |
1,020 |
2,094 |
1,424,088 |
| Excipients/Additives/Colorants |
269 |
450 |
169,308 |
| Illegal Additives |
60 |
110 |
10,898 |
| Personal Care Products/Cosmetics |
199 |
310 |
74,456 |
| Textile Chemicals/Auxiliary/Dyes |
292 |
447 |
116,582 |
| Industrial Chemicals |
437 |
761 |
131,632 |
| Perfluorinated Hydrocarbons |
106 |
172 |
60,980 |
| Nanomaterials |
0 |
0 |
0 |