Legacy mzCloud Statistics

Number of compounds: 12,565

Number of spectral trees: 28,835

Raw Filtered Recalibrated
Positive 20,889 20,889 20,889
Negative 7,946 7,946 7,946

Number of spectra: 10,973,398

Raw Filtered Recalibrated
Positive 4,309,429 1,498,407 2,720,807
Negative 1,171,071 410,342 863,342

Number of spectra in positive ESI: 8,528,643

Raw Filtered Recalibrated
MS1 69,967 33,262 46,862
MS2 1,163,781 401,492 756,917
MS3 1,175,986 403,683 697,102
MS4 1,462,428 503,131 888,689
MS5 356,576 127,611 235,929
MS6 67,071 24,295 71,010
MS7 12,130 4,385 20,288
MS8 1,392 511 3,859
MS9 98 37 151

Number of spectra in negative ESI: 2,444,755

Raw Filtered Recalibrated
MS1 26,722 12,266 18,184
MS2 411,409 143,836 264,222
MS3 405,930 140,441 293,510
MS4 255,993 88,807 207,051
MS5 63,475 22,358 64,081
MS6 6,222 2,173 12,746
MS7 1,071 375 3,056
MS8 234 81 483
MS9 15 5 9

Number of precursors: 355,545

Positive Negative
MS2 89,476 34,418
MS3 60,684 27,577
MS4 75,410 22,391
MS5 25,041 7,325
MS6 8,730 1,362
MS7 2,332 308
MS8 404 50
MS9 28 9

Number of peak annotations: 18,384,156

Formulae 15,735,622
Structures 2,648,534

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 549 873 221,227
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 291 436 109,098
Industrial Chemicals 437 737 98,962
Perfluorinated Hydrocarbons 68 123 32,120
Nanomaterials 0 0 0