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#FormulaCpdStructureMassKEGGCASPolarityIon SpeciesCCSZGasCCS StandardNotesTemperatureCharge
2,3-Butanedione103.52731N2
2,5-Dimethylfuran106.751N2
2nitrophenol128.0817031N2
2Thiouracil116.5634651N2
4-Buty138.11N2
4-ethy1241N2
4-penty145.31N2
4-prop1311N2
4-tert-butylaniline129.381N2
6Mercaptopurine128.9796511N2
9-Fluorenone133.0551N2
12dichlorobenzene104.4221531N2
C8H9NO2Acetaminophen103-90-2positive(M+H)142.57941N22741
C8H8OAcetophenone98-86-2positive114.3241N2
C7H16NO2Acetylcholine60-31-1positive(M*)141.27921N22741
C5H5N5Adenine73-24-5positive(M+H)134.6322041N2
Aniline108.0360011N2
C14H10Anthracene120-12-7positive(M*)137.81241N22741
C22H29FO5Betamethasone392.5378-44-9positive(M+H)210.26961N22741
C60C60 Fullerene99685-96-8positive(M*)221.0951N22741
C70C70 Fullerene115383-22-7positive(M*)238.9311N22741
C8H10N4O2Caffeine1958/8/2positive(M*)145.58111N2
C5H14NOCholine62-49-7positive(M*)125.48761N22741
cyanamide99.2799121N2
C4H5N3OCytosine71-30-7positive(M+H)123.519161N2
Dimethylamine94.1870981N2
Diphenylamine133.1172211N2
C13H10Fluorene86-73-7positive(M*)128.1711N2
C5H5N5OGuanine73-40-5positive(M+H)137.4270111N2
HydrogenCyanide103.226761N2
HydrogenFluoride99.9311931N2
isoleucine123.71N2
KBr92.6751981N2
Leucine124.71N2
methylamine89.1574221N2
N-Buty134.71N2
N-ethy122.81N2
N-penty140.91N2
N-prop127.91N2
C10H8Naphthalene91-20-3positive(M*)121.60081N22741
Nitrobenzene124.0581N2
o-Terphenyl149.2431N2
C14H10Phenanthrene1985/1/8positive(M*)137.8751N22741
phosgene89.6922871N2
C5H4N4Purine120-73-0positive(M+H)124.231N2
C16H10Pyrene129-00-0positive(M*)142.96021N22741
pyridine104.5629241N2
Pyrimidine110.3950181N2
Rubrene239.6181N2
C5H6N2O2Thymine65-71-4positive(M+H)122.9554591N2
Trimethylamine99.1198771N2
C18H12Triphenylene217-59-4positive(M*)152.21431N22741
Triphenylmethane158.351N2
C4H4N2O2Uracil66-22-8positive(M+H)120.1660021N2
xylene110.668331N2