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-NitrosodimethylamineHMDB31419C2H6N2O74.048012824M+H+75.0552890.00018246InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3-0.53
AcetylhydrazineHMDB60428C2H6N2O74.048012824M+H+75.0552890.00018246InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)-0.78
CreatineHMDB00064C4H9N3O2131.069476547M+H+NH4+75.0552880.00018346InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)-1.59
Beta-Guanidinopropionic acidHMDB13222C4H9N3O2131.069476547M+H+NH4+75.0552880.00018346InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)-1.70
Nitrogen oxidesHMDB32439H3NO33.021463723M+ACN+H+75.0552870.00018446InChI=1S/H3NO/c1-2/h1H3NA
mz_0000375.08059797
1-ButanolHMDB04327C4H10O74.073164942M+H+75.0804410.00015697InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H30.84
UNKNOWNHMDB62103C4H10O74.073164942M+H+75.0804410.00015697NANA
2-ButanolHMDB11469C4H10O74.073164942M+H+75.0804410.00015697InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H30.66
IsobutanolHMDB06006C4H10O74.073164942M+H+75.0804410.00015697InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H30.60
2-Methylpropan-2-olHMDB31456C4H10O74.073164942M+H+75.0804410.00015697InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H30.70
mz_0000476.03942694
L-Aspartic acidHMDB00191C4H7NO4133.037507717M+H+NH4+76.0393040.00012294InChI=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 nitriteHMDB31239C2H5NO275.032028409M+H+76.0393040.00012294InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H30.42
GlycineHMDB00123C2H5NO275.032028409M+H+76.0393040.00012294InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)-3.34
Acetohydroxamic AcidHMDB14691C2H5NO275.032028409M+H+76.0393040.00012294InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)-1.46
Iminodiacetic acidHMDB11753C4H7NO4133.037507717M+H+NH4+76.0393040.00012294InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)-2.50
mz_0000576.07584477
1-Amino-propan-2-olHMDB12136C3H9NO75.068413915M+H+76.075690.00015477InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3-1.03
Trimethylamine N-oxideHMDB00925C3H9NO75.068413915M+H+76.075690.00015477InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3-2.01
Allyl alcoholHMDB31652C3H6O58.041864814M+NH4+76.0756880.00015677InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2-0.03
UNKNOWNHMDB62143C3H6O58.041864813M+NH4+76.0756880.00015677NANA
MethyloxiraneHMDB31558C3H6O58.041864814M+NH4+76.0756880.00015677InChI=1/C3H6O/c1-3-2-4-3/h3H,2H2,1H30.04
mz_0000676.07593168
1-Amino-propan-2-olHMDB12136C3H9NO75.068413915M+H+76.075690.00024168InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3-1.03
Trimethylamine N-oxideHMDB00925C3H9NO75.068413915M+H+76.075690.00024168InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3-2.01
Allyl alcoholHMDB31652C3H6O58.041864814M+NH4+76.0756880.00024368InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2-0.03
UNKNOWNHMDB62143C3H6O58.041864813M+NH4+76.0756880.00024368NANA
MethyloxiraneHMDB31558C3H6O58.041864814M+NH4+76.0756880.00024368InChI=1/C3H6O/c1-3-2-4-3/h3H,2H2,1H30.04