Standard chemicals
Name | Formula | M.W. | Mode | Adduct | m/z detected | R.T. | Peak |
---|---|---|---|---|---|---|---|
Caffeine
|
C8H10N4O2 | 194.0804 | neg neg |
not detected
|
|||
Cinchonine
|
C19H22N2O | 294.1732 | neg neg |
not detected
|
|||
Thiamine
|
C12H17ClN4OS | 300.0812 | pos pos |
not detected
|
|||
Thiamine
|
C12H17ClN4OS | 300.0812 | neg neg |
not detected
|
|||
Hydroquinidine
|
C20H26N2O2 | 326.1994 | neg neg |
not detected
|
|||
Strychnine
|
C21H22N2O2 | 334.1681 | neg neg |
not detected
|
|||
Norlaudanosine
|
C20H25NO4 | 343.1784 | neg neg |
not detected
|
|||
Amygdalin
|
C20H27NO11 | 457.1584 | pos pos |
not detected
|
|||
Gramine
|
C11H14N2 | 174.1157 | neg neg |
not detected
|
|||
Sedanolide
|
C12H18O2 | 194.1307 | neg neg |
not detected
|
|||
Cinchonidine
|
C19H22N2O | 294.1732 | neg neg |
not detected
|
|||
(-)-Quinine
|
C20H24N2O2 | 324.1838 | neg neg |
not detected
|
|||
Sinomenine
|
C19H23NO4 | 329.1627 | neg neg |
not detected
|
|||
Papaverine
|
C20H21NO4 | 339.1471 | neg neg |
not detected
|
|||
Brucine
|
C23H26N2O4 | 394.1893 | neg neg |
not detected
|
|||
Loperamide
|
C29H33ClN2O2 | 476.2231 | neg neg |
not detected
|
|||
L-alpha-Alanine
|
C3H7NO2 | 89.0477 | pos pos |
not detected
|
|||
L-alpha-Alanine
|
C3H7NO2 | 89.0477 | neg neg |
not detected
|
|||
L(+)-Arginine
|
C6H14N4O2 | 174.1117 | pos pos |
not detected
|
|||
L(+)-Arginine
|
C6H14N4O2 | 174.1117 | neg neg |
not detected
|
|||
L-Asparagine
|
C4H8N2O3 | 132.0535 | pos pos |
not detected
|
|||
L-Asparagine
|
C4H8N2O3 | 132.0535 | neg neg |
not detected
|
|||
L-Aspartic acid
|
C4H7NO4 | 133.0375 | pos pos |
not detected
|
|||
L-Aspartic acid
|
C4H7NO4 | 133.0375 | neg neg |
not detected
|
|||
L-Cysteine
|
C3H7NO2S | 121.0197 | pos pos |
not detected
|
|||
L-Cysteine
|
C3H7NO2S | 121.0197 | neg neg |
not detected
|
|||
L-Glutamine
|
C5H10N2O3 | 146.0691 | pos pos |
not detected
|
|||
L-Glutamine
|
C5H10N2O3 | 146.0691 | neg neg |
not detected
|
|||
L-Glutamic acid
|
C5H9NO4 | 147.0532 | pos pos |
not detected
|
|||
L-Glutamic acid
|
C5H9NO4 | 147.0532 | neg neg |
not detected
|
|||
Glycine
|
C2H5NO2 | 75.0320 | pos pos |
not detected
|
|||
Glycine
|
C2H5NO2 | 75.0320 | neg neg |
not detected
|
|||
L-Histidine
|
C6H9N3O2 | 155.0695 | pos pos |
not detected
|
|||
L-Histidine
|
C6H9N3O2 | 155.0695 | neg neg |
not detected
|
|||
L-Lysine
|
C6H14N2O2 | 146.1055 | pos pos |
not detected
|
|||
L-Lysine
|
C6H14N2O2 | 146.1055 | neg neg |
not detected
|
|||
L-Methionine
|
C5H11NO2S | 149.0510 | pos pos |
not detected
|
|||
L-Methionine
|
C5H11NO2S | 149.0510 | neg neg |
not detected
|
|||
L-(-)-Proline
|
C5H9NO2 | 115.0633 | pos pos |
not detected
|
|||
L-(-)-Proline
|
C5H9NO2 | 115.0633 | neg neg |
not detected
|
|||
L-Serine
|
C3H7NO3 | 105.0426 | pos pos |
not detected
|
|||
L-Serine
|
C3H7NO3 | 105.0426 | neg neg |
not detected
|
|||
L-Threonine
|
C4H9NO3 | 119.0582 | pos pos |
not detected
|
|||
L-Threonine
|
C4H9NO3 | 119.0582 | neg neg |
not detected
|
|||
Berberine
|
C20H18NO4+ | 336.1230 | neg neg |
not detected
|
|||
(+/-)-Anabasine
|
C10H14N2 | 162.1157 | neg neg |
not detected
|
|||
Nicotinamide
|
C6H6N2O | 122.0480 | neg neg |
not detected
|
|||
Isonicotinamide
|
C6H6N2O | 122.0480 | neg neg |
not detected
|
|||
Momilactone A
|
C20H26O3 | 314.1882 | neg neg |
not detected
|
|||
Momilactone B
|
C20H26O4 | 330.1831 | neg neg |
not detected
|
|||
Cytosine
|
C4H5N3O | 111.0433 | pos pos |
not detected
|
|||
Cytosine
|
C4H5N3O | 111.0433 | neg neg |
not detected
|
|||
dATP (Deoxyadenosine triphosphate)
|
C10H16N5O12P3 | 491.0008 | pos pos |
not detected
|
|||
dATP (Deoxyadenosine triphosphate)
|
C10H16N5O12P3 | 491.0008 | neg neg |
not detected
|
|||
dCTP (Deoxycytidine triphosphate)
|
C9H16N3O13P3 | 466.9896 | pos pos |
not detected
|
|||
dCTP (Deoxycytidine triphosphate)
|
C9H16N3O13P3 | 466.9896 | neg neg |
not detected
|
|||
dGTP (Deoxyguanosine triphosphate)
|
C10H16N5O13P3 | 506.9957 | pos pos |
not detected
|
|||
dGTP (Deoxyguanosine triphosphate)
|
C10H16N5O13P3 | 506.9957 | neg neg |
not detected
|
|||
dTTP (Deoxythymidine triphosphate)
|
C10H17N2O14P3 | 481.9893 | pos pos |
not detected
|
|||
dTTP (Deoxythymidine triphosphate)
|
C10H17N2O14P3 | 481.9893 | neg neg |
not detected
|
|||
ATP (Adenosine triphosphate)
|
C10H16N5O13P3 | 506.9957 | pos pos |
not detected
|
|||
ATP (Adenosine triphosphate)
|
C10H16N5O13P3 | 506.9957 | neg neg |
not detected
|
|||
CTP (Cytidine triphosphate)
|
C9H16N3O14P3 | 482.9845 | pos pos |
not detected
|
|||
CTP (Cytidine triphosphate)
|
C9H16N3O14P3 | 482.9845 | neg neg |
not detected
|
|||
GTP (Guanosine triphosphate)
|
C10H16N5O14P3 | 522.9907 | pos pos |
not detected
|
|||
GTP (Guanosine triphosphate)
|
C10H16N5O14P3 | 522.9907 | neg neg |
not detected
|
|||
UTP (Uridine triphosphate)
|
C9H15N2O15P3 | 483.9685 | pos pos |
not detected
|
|||
UTP (Uridine triphosphate)
|
C9H15N2O15P3 | 483.9685 | neg neg |
not detected
|
|||
(+)-Limonene
|
C10H16 | 136.1252 | pos pos |
not detected
|
|||
(+)-Limonene
|
C10H16 | 136.1252 | neg neg |
not detected
|
|||
(-)-Limonene
|
C10H16 | 136.1252 | pos pos |
not detected
|
|||
(-)-Limonene
|
C10H16 | 136.1252 | neg neg |
not detected
|
|||
(-)-Menthol
|
C10H20O | 156.1514 | pos pos |
not detected
|
|||
(-)-Menthol
|
C10H20O | 156.1514 | neg neg |
not detected
|
|||
beta-Citronellol
|
C10H20O | 156.1514 | neg neg |
not detected
|
|||
Geraniol
|
C10H18O | 154.1358 | neg neg |
not detected
|
|||
Linalool
|
C10H18O | 154.1358 | neg neg |
not detected
|
|||
Citral
|
C10H16O | 152.1201 | neg neg |
not detected
|
|||
Nerol
|
C10H18O | 154.1358 | neg neg |
not detected
|
|||
alpha-Terpineol
|
C10H18O | 154.1358 | neg neg |
not detected
|
|||
Tomatidine
|
C27H45NO2 | 415.3450 | neg neg |
not detected
|
|||
beta-Sitosterol
|
C29H50O | 414.3862 | pos pos |
not detected
|
|||
beta-Sitosterol
|
C29H50O | 414.3862 | neg neg |
not detected
|
|||
Campesterol
|
C28H48O | 400.3705 | pos pos |
not detected
|
|||
Campesterol
|
C28H48O | 400.3705 | neg neg |
not detected
|
|||
Bergapten
|
C12H8O4 | 216.0423 | neg neg |
not detected
|
|||
Allyl isothiocyanate
|
C4H5NS | 99.0143 | pos pos |
not detected
|
|||
Allyl isothiocyanate
|
C4H5NS | 99.0143 | neg neg |
not detected
|
|||
Methyl isothiocyanate
|
C2H3NS | 72.9986 | pos pos |
not detected
|
|||
Methyl isothiocyanate
|
C2H3NS | 72.9986 | neg neg |
not detected
|
|||
Phenyl isothiocyanate
|
C7H5NS | 135.0143 | neg neg |
not detected
|
|||
Benzyl isothiocyanate
|
C8H7NS | 149.0299 | neg neg |
not detected
|
|||
5-Methyl furfural
|
C6H6O2 | 110.0368 | neg neg |
not detected
|
|||
Orysastrobin
|
C18H25N5O5 | 391.1856 | neg neg |
not detected
|
|||
Trigonelline
|
C7H7NO2 | 137.0477 | pos pos |
not detected
|
|||
Trigonelline
|
C7H7NO2 | 137.0477 | neg neg |
not detected
|