Results of HMDB queries - Search params : Molecular specie = positive / delta (mass-to-charge ratio) = 0.001

ID from inputMass (m/z)Metabolite_NameCompound_IDFormulaCompound MW (Da)AdductAdduct_TypeAdduct MW (Da)DeltaInChI IdentifierPredicted LogP (ALOGPS)
mz_000017.02080998
UNKNOWNNONEn/an/an/an/an/a0n/an/a
mz_0000275.05547146
N-NitrosodimethylamineHMDB0031419C2H6N2O74.048012824M+H+75.0552892InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3-0.53
AcetylhydrazineHMDB0060428C2H6N2O74.048012824M+H+75.0552892InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)-0.78
glycinamideHMDB0062472C2H6N2O74.048012824M+H+75.0552892InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)-2.49
CreatineHMDB0000064C4H9N3O2131.069476547M+H+NH4+75.0552882InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)-1.59
Beta-Guanidinopropionic acidHMDB0013222C4H9N3O2131.069476547M+H+NH4+75.0552882InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)-1.70
mz_0000375.08059797
UNKNOWNHMDB0155221H4O7P2177.943225506M+H+2Na+75.0805990NANA
1-ButanolHMDB0004327C4H10O74.073164942M+H+75.0804412InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H30.84
UNKNOWNHMDB0062103C4H10O74.073164942M+H+75.0804412NANA
1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2E)-enyl etherHMDB0062326C4H10O74.073164942M+H+75.0804412InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H31.12
2-ButanolHMDB0011469C4H10O74.073164942M+H+75.0804412InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H30.66
mz_0000476.03942694
L-Aspartic acidHMDB0000191C4H7NO4133.037507717M+H+NH4+76.0393042InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1-3.52
Ethyl nitriteHMDB0031239C2H5NO275.032028409M+H+76.0393042InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H30.42
1-deoxy-1-(N6-lysino)-D-fructoseHMDB0062186C4H7NO4133.037507709M+H+NH4+76.0393042InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)-3.52
GlycineHMDB0000123C2H5NO275.032028409M+H+76.0393042InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)-3.34
Acetohydroxamic AcidHMDB0014691C2H5NO275.032028409M+H+76.0393042InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)-1.46
mz_0000576.07584477
3-aminopropan-1-olHMDB0140038C3H9NO75.068413915M+H+76.075692InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2-1.01
1-Amino-propan-2-olHMDB0012136C3H9NO75.068413915M+H+76.075692InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3-1.03
2-(methylamino)ethan-1-olHMDB0142449C3H9NO75.068413914M+H+76.075692InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3-1.05
Trimethylamine N-oxideHMDB0000925C3H9NO75.068413915M+H+76.075692InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3-2.01
Allyl alcoholHMDB0031652C3H6O58.041864814M+NH4+76.0756882InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2-0.03
mz_0000676.07593168
3-aminopropan-1-olHMDB0140038C3H9NO75.068413915M+H+76.075693InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2-1.01
1-Amino-propan-2-olHMDB0012136C3H9NO75.068413915M+H+76.075693InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3-1.03
2-(methylamino)ethan-1-olHMDB0142449C3H9NO75.068413914M+H+76.075693InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3-1.05
Trimethylamine N-oxideHMDB0000925C3H9NO75.068413915M+H+76.075693InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3-2.01
Allyl alcoholHMDB0031652C3H6O58.041864814M+NH4+76.0756883InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2-0.03