Legacy mzCloud Statistics

Number of compounds: 11,523

Number of spectral trees: 27,714

Raw Filtered Recalibrated
Positive 19,837 19,837 19,837
Negative 7,877 7,877 7,877

Number of spectra: 9,312,669

Raw Filtered Recalibrated
Positive 3,353,148 1,177,061 2,399,510
Negative 1,134,177 397,899 850,874

Number of spectra in positive ESI: 6,929,719

Raw Filtered Recalibrated
MS1 66,832 32,210 45,810
MS2 973,403 337,848 693,273
MS3 883,602 305,865 599,284
MS4 1,013,202 351,461 737,068
MS5 341,068 122,370 230,688
MS6 63,323 23,012 69,727
MS7 10,509 3,841 19,744
MS8 1,111 417 3,765
MS9 98 37 151

Number of spectra in negative ESI: 2,382,950

Raw Filtered Recalibrated
MS1 26,518 12,197 18,115
MS2 399,751 139,907 260,293
MS3 392,911 136,048 289,101
MS4 248,080 86,136 204,371
MS5 59,875 21,145 62,868
MS6 5,770 2,021 12,594
MS7 1,023 359 3,040
MS8 234 81 483
MS9 15 5 9

Number of precursors: 322,218

Positive Negative
MS2 84,154 34,045
MS3 51,708 27,123
MS4 59,005 22,050
MS5 24,405 7,080
MS6 8,403 1,314
MS7 2,188 296
MS8 360 50
MS9 28 9

Number of peak annotations: 15,438,134

Formulae 13,306,497
Structures 2,131,637

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 2,646 476,185
Drugs of Abuse/Illegal Drugs 1,185 1,922 347,441
Sports Doping Drugs 847 1,503 302,301
Steroids/Vitamins/Hormones 31 67 13,752
Endogenous Metabolites 3,724 5,629 2,526,242
Natural Products/Medicines 1,740 2,299 1,118,278
Natural Toxins 114 165 178,643
Counterfeit Drug (Therapeutic) 71 117 11,398
Extractables/Leachables 549 861 218,294
Pesticides/Herbicides 755 1,295 147,056
Excipients/Additives/Colorants 269 442 162,316
Illegal Additives 60 110 10,898
Personal Care Products/Cosmetics 199 308 73,808
Textile Chemicals/Auxiliary/Dyes 291 435 108,893
Industrial Chemicals 437 737 98,962
Perfluorinated Hydrocarbons 40 79 16,492
Nanomaterials 0 0 0