Legacy mzCloud Statistics

Number of compounds: 13,231

Number of spectral trees: 30,067

Raw Filtered Recalibrated
Positive 21,767 21,767 21,767
Negative 8,300 8,300 8,300

Number of spectra: 12,757,368

Raw Filtered Recalibrated
Positive 5,045,225 1,742,000 2,964,402
Negative 1,509,396 521,877 974,468

Number of spectra in positive ESI: 9,751,627

Raw Filtered Recalibrated
MS1 72,594 34,140 47,740
MS2 1,329,366 456,523 811,948
MS3 1,393,599 476,661 770,080
MS4 1,748,093 597,128 982,688
MS5 410,932 145,209 253,527
MS6 75,962 27,083 73,798
MS7 13,135 4,691 20,594
MS8 1,446 528 3,876
MS9 98 37 151

Number of spectra in negative ESI: 3,005,741

Raw Filtered Recalibrated
MS1 27,776 12,619 18,536
MS2 490,700 170,135 290,432
MS3 542,752 185,563 338,463
MS4 346,748 118,641 236,753
MS5 90,868 31,326 73,031
MS6 9,093 3,095 13,668
MS7 1,213 415 3,096
MS8 231 78 480
MS9 15 5 9

Number of precursors: 395,001

Positive Negative
MS2 94,301 36,530
MS3 67,792 32,064
MS4 86,072 26,614
MS5 27,795 9,071
MS6 9,766 1,686
MS7 2,469 337
MS8 417 50
MS9 28 9

Number of peak annotations: 16,900,324

Formulae 13,925,913
Structures 2,974,411

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 2,646 476,128
Drugs of Abuse/Illegal Drugs 1,185 1,922 347,099
Sports Doping Drugs 847 1,503 302,001
Steroids/Vitamins/Hormones 31 67 13,752
Endogenous Metabolites 3,724 5,629 2,525,710
Natural Products/Medicines 1,740 2,299 1,118,278
Natural Toxins 114 165 178,439
Counterfeit Drug (Therapeutic) 71 117 11,398
Extractables/Leachables 550 883 227,420
Pesticides/Herbicides 755 1,295 147,044
Excipients/Additives/Colorants 269 444 162,671
Illegal Additives 60 110 10,898
Personal Care Products/Cosmetics 199 308 73,757
Textile Chemicals/Auxiliary/Dyes 292 440 110,405
Industrial Chemicals 437 738 99,714
Perfluorinated Hydrocarbons 73 128 32,760
Nanomaterials 0 0 0