Results of HMDB queries - Search params : Molecular specie = positive / delta (mass-to-charge ratio) = 0.05

ID from inputMass (m/z)Metabolite_NameCompound_IDFormulaCompound MW (Da)AdductAdduct typeAdduct MW (Da)Delta (ppm)InChI IdentifierPredicted LogP (ALOGPS)
mz_00001175.01
MercaptopurineHMDB0015167C5H4N4S152.015666838M+Na+175.00488529NONEDATANONEDATA
SCHEMBL300353HMDB0171211C4H8O4S152.014329912M+Na+175.00354837NONEDATANONEDATA
[(2Z)-but-2-en-1-yloxy]sulfonic acidHMDB0167141C4H8O4S152.014329912M+Na+175.00354837NONEDATANONEDATA
(Methylsulfanyl)(phenyl)methanoneHMDB0029694C8H8OS152.029585568M+Na+175.01880450NONEDATANONEDATA
"9H-Purine-6,8-diol"HMDB0001182C5H4N4O2152.033425392M+Na+175.02264372NONEDATANONEDATA
mz_00002238.19
[2-(Heptanoyloxy)ethyl]trimethylazaniumHMDB0013239C12H26NO2216.196354081M+Na+238.17829649NONEDATANONEDATA
FencamfaminHMDB0015508C15H21N215.167399677M+Na+238.156618140NONEDATANONEDATA
(4-{[4-(dimethylamino)butyl]amino}butyl)dimethylamineHMDB0031202C12H29N3215.236147943M+Na+238.225366148NONEDATANONEDATA
Diethylcarbamazine N-oxideHMDB0060817C10H21N3O2215.163376931M+Na+238.152595157NONEDATANONEDATA
N-NonanoylglycineHMDB0013279C11H21NO3215.152143543M+Na+238.141362204NONEDATANONEDATA
mz_00003420.16
"(2E,8E)-9-[4-hydroxy-3-(sulfooxy)phenyl]-N-(2-methylpropyl)nona-2,8-dienimidic acid"HMDB0161604C19H27NO6S397.155908767M+Na+420.14512735NONEDATANONEDATA
"(4E,8E)-9-[4-hydroxy-3-(sulfooxy)phenyl]-N-(2-methylpropyl)nona-4,8-dienimidic acid"HMDB0161565C19H27NO6S397.155908767M+Na+420.14512735NONEDATANONEDATA
"N-[2-(2-Hydroxy-3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalen-1-yl]-N-methylformamide"HMDB0030435C22H23NO6397.152537473M+Na+420.14175543NONEDATANONEDATA
"6-[(6-carboxy-3,4-dihydroxyoxan-2-yl)oxy]-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium"HMDB0165501C18H24NO9398.144557777M+Na+420.126580NONEDATANONEDATA
"3,4,5-trihydroxy-6-[(4-hydroxy-6-propanoyl-7,8-dihydropteridin-2-yl)amino]oxane-2-carboxylic acid"HMDB0158327C15H19N5O8397.123362592M+Na+420.112581113NONEDATANONEDATA
mz_00004780.32
5-[2-(2-{[1-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-(4-hydroxyphenyl)ethyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}-5-oxopentanoic acidHMDB0164422C36H51N7O11757.36465549M+Na+780.35387343NONEDATANONEDATA
1-(1-{2-[({1-[2-({2-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene}amino)acetyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-4-carboxybutanoyl}pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acidHMDB0164421C36H51N7O11757.36465549M+Na+780.35387343NONEDATANONEDATA
4-({[1-(2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}acetyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-5-(2-{2-[(1-carboxy-2-methylpropyl)-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl}pyrrolidin-1-yl)-5-oxopentanoic acidHMDB0164418C36H51N7O11757.36465549M+Na+780.35387343NONEDATANONEDATA
2-{[hydroxy(1-{2-[(1-hydroxy-2-{[1-hydroxy-2-({hydroxy[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]methylidene}amino)-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene)amino]acetyl}pyrrolidin-2-yl)methylidene]amino}pentanedioic acidHMDB0164423C36H51N7O11757.36465549M+Na+780.35387343NONEDATANONEDATA
1-(4-carboxy-2-{[hydroxy({1-[2-({1-hydroxy-2-[(1-hydroxy-2-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}-3-methylbutylidene)amino]-3-(4-hydroxyphenyl)propylidene}amino)acetyl]pyrrolidin-2-yl})methylidene]amino}butanoyl)pyrrolidine-2-carboxylic acidHMDB0164424C36H51N7O11757.36465549M+Na+780.35387343NONEDATANONEDATA
mz_00005956.25
Α-D-glcnac3S-(1→4)-β-D-glca(1→3)-β-D-gal(1→3)-β-D-gal(1→4)-D-xylHMDB0062476C31H51NO29S933.2267458M+Na+956.21596436NONEDATANONEDATA
(3S)-3-Isopropenyl-6-oxoheptanoyl-CoAHMDB0062370C31H50N7O18P3S933.214589966M+Na+956.20380848NONEDATANONEDATA
mz_000061100.45
UNKNOWNNONEn/an/an/an/an/a0n/an/a