Legacy mzCloud Statistics

Number of compounds: 12,800

Number of spectral trees: 29,259

Raw Filtered Recalibrated
Positive 21,211 21,211 21,211
Negative 8,048 8,048 8,048

Number of spectra: 11,610,144

Raw Filtered Recalibrated
Positive 4,581,835 1,590,029 2,812,429
Negative 1,279,233 446,809 899,809

Number of spectra in positive ESI: 8,984,293

Raw Filtered Recalibrated
MS1 70,933 33,584 47,184
MS2 1,225,969 422,297 777,722
MS3 1,250,417 428,607 722,026
MS4 1,564,332 537,439 922,997
MS5 383,570 136,830 245,148
MS6 72,144 26,050 72,765
MS7 12,927 4,656 20,559
MS8 1,445 529 3,877
MS9 98 37 151

Number of spectra in negative ESI: 2,625,851

Raw Filtered Recalibrated
MS1 27,028 12,368 18,286
MS2 437,439 152,538 272,924
MS3 449,704 155,156 308,225
MS4 282,048 97,667 215,911
MS5 74,192 26,018 67,741
MS6 7,420 2,573 13,146
MS7 1,153 403 3,084
MS8 234 81 483
MS9 15 5 9

Number of precursors: 369,453

Positive Negative
MS2 91,234 35,129
MS3 62,958 29,042
MS4 79,201 23,541
MS5 26,396 7,919
MS6 9,286 1,499
MS7 2,428 318
MS8 415 50
MS9 28 9

Number of peak annotations: 19,227,977

Formulae 16,421,025
Structures 2,806,952

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 550 882 226,881
Pesticides/Herbicides 755 1,295 147,056
Excipients/Additives/Colorants 269 444 162,680
Illegal Additives 60 110 10,898
Personal Care Products/Cosmetics 199 308 73,808
Textile Chemicals/Auxiliary/Dyes 292 439 109,842
Industrial Chemicals 437 737 98,962
Perfluorinated Hydrocarbons 73 128 32,871
Nanomaterials 0 0 0