Standard chemicals

Name Formula M.W. Mode Adduct m/z detected R.T. Peak
Gallic acid
C7H6O5 170.0215 pos [M+H]+
171.0265
8.35
Caffeic acid
C9H8O4 180.0423 pos [M+H]+
181.0476
12.62
3-(3,4-dihydroxyphenyl)propanoic acid (DPA)
C9H10O4 182.0579 pos [M+H]+
183.0629
12.04
3-(3,4-dihydroxyphenyl)propanoic acid (DPA)
C9H10O4 182.0579 pos [M-H2O+H]+
165.0523
12.04
Caffeine
C8H10N4O2 194.0804 pos [M+H]+
195.0856
11.91
Cinchonine
C19H22N2O 294.1732 pos [M+H]+
295.1795
11.95
Thiamine
C12H17ClN4OS 300.0812 pos
not detected
L-Glutathione (reduced)
C10H17N3O6S 307.0838 pos [M+H]+
308.0877
3.42
L-Glutathione (reduced)
C10H17N3O6S 307.0838 pos [M+H]+
308.0880
3.74
Hydroquinidine
C20H26N2O2 326.1994 pos [M+H]+
327.2049
13.09
Strychnine
C21H22N2O2 334.1681 pos [M+H]+
335.1737
12.54
Norlaudanosine
C20H25NO4 343.1784 pos [M+H]+
344.1843
14.38
Amygdalin
C20H27NO11 457.1584 pos
not detected
Gallic acid
C7H6O5 170.0215 neg [M-H]-
169.0128
8.32
Caffeic acid
C9H8O4 180.0423 neg [M-H]-
179.0341
12.59
3-(3,4-dihydroxyphenyl)propanoic acid (DPA)
C9H10O4 182.0579 neg [M-H]-
181.0496
12.02
Caffeine
C8H10N4O2 194.0804 neg
not detected
Cinchonine
C19H22N2O 294.1732 neg
not detected
Thiamine
C12H17ClN4OS 300.0812 neg
not detected
L-Glutathione (reduced)
C10H17N3O6S 307.0838 neg [M-H]-
306.0734
3.25
L-Glutathione (reduced)
C10H17N3O6S 307.0838 neg [M-H]-
306.0736
3.80
Hydroquinidine
C20H26N2O2 326.1994 neg
not detected
Strychnine
C21H22N2O2 334.1681 neg
not detected
Norlaudanosine
C20H25NO4 343.1784 neg
not detected
Amygdalin
C20H27NO11 457.1584 neg [M-H]-
456.1478
11.63
Gramine
C11H14N2 174.1157 pos [M+H]+
175.1210
11.47
Theophylline
C7H8N4O2 180.0647 pos [M+H]+
181.0713
10.64
Sedanolide
C12H18O2 194.1307 pos [M+H]+
195.1382
24.69
Genistein
C15H10O5 270.0528 pos [M+H]+
271.0595
18.80
Cinchonidine
C19H22N2O 294.1732 pos [M+H]+
295.1795
12.09
Quercetin
C15H10O7 302.0427 pos [M+H]+
303.0489
17.30
(-)-Quinine
C20H24N2O2 324.1838 pos [M+H]+
325.1901
12.67
Sinomenine
C19H23NO4 329.1627 pos [M+H]+
330.1687
11.49
Papaverine
C20H21NO4 339.1471 pos [M+H]+
340.1538
15.17
Brucine
C23H26N2O4 394.1893 pos [M+H]+
395.1957
12.49
Loperamide
C29H33ClN2O2 476.2231 pos [M+H]+
477.2311
20.16
Gramine
C11H14N2 174.1157 neg
not detected
Theophylline
C7H8N4O2 180.0647 neg [M-H]-
179.0557
10.63
Sedanolide
C12H18O2 194.1307 neg
not detected
Genistein
C15H10O5 270.0528 neg [M-H]-
269.0434
18.79
Cinchonidine
C19H22N2O 294.1732 neg
not detected
Quercetin
C15H10O7 302.0427 neg [M-H]-
301.0325
17.30
(-)-Quinine
C20H24N2O2 324.1838 neg
not detected
Sinomenine
C19H23NO4 329.1627 neg
not detected
Papaverine
C20H21NO4 339.1471 neg
not detected
Brucine
C23H26N2O4 394.1893 neg
not detected
Loperamide
C29H33ClN2O2 476.2231 neg
not detected
L-alpha-Alanine
C3H7NO2 89.0477 pos
not detected
L(+)-Arginine
C6H14N4O2 174.1117 pos
not detected
L-Asparagine
C4H8N2O3 132.0535 pos
not detected
L-Aspartic acid
C4H7NO4 133.0375 pos
not detected
L-Cysteine
C3H7NO2S 121.0197 pos
not detected
L-Glutamine
C5H10N2O3 146.0691 pos
not detected
L-Glutamic acid
C5H9NO4 147.0532 pos
not detected
Glycine
C2H5NO2 75.0320 pos
not detected
L-Histidine
C6H9N3O2 155.0695 pos
not detected
L-(+)-Isoleucine
C6H13NO2 131.0946 pos [M+H]+
132.1011
5.28
L-Leucine
C6H13NO2 131.0946 pos [M+H]+
132.1011
5.80
L-Lysine
C6H14N2O2 146.1055 pos
not detected
L-Methionine
C5H11NO2S 149.0510 pos
not detected
L-(-)-Phenylalanine
C9H11NO2 165.0790 pos [M+H]+
166.0856
9.01
L-(-)-Proline
C5H9NO2 115.0633 pos
not detected
L-Serine
C3H7NO3 105.0426 pos
not detected
L-Threonine
C4H9NO3 119.0582 pos
not detected
L-Tryptophan
C11H12N2O2 204.0899 pos [M+H]+
205.0967
10.64
L-Tyrosine
C9H11NO3 181.0739 pos [M+H]+
182.0803
5.56
L-Valine
C5H11NO2 117.0790 pos [M+H]+
118.0859
3.15
L-alpha-Alanine
C3H7NO2 89.0477 neg
not detected
L(+)-Arginine
C6H14N4O2 174.1117 neg
not detected
L-Asparagine
C4H8N2O3 132.0535 neg
not detected
L-Aspartic acid
C4H7NO4 133.0375 neg
not detected
L-Cysteine
C3H7NO2S 121.0197 neg
not detected
L-Glutamine
C5H10N2O3 146.0691 neg
not detected
L-Glutamic acid
C5H9NO4 147.0532 neg
not detected
Glycine
C2H5NO2 75.0320 neg
not detected
L-Histidine
C6H9N3O2 155.0695 neg
not detected
L-(+)-Isoleucine
C6H13NO2 131.0946 neg [M-H]-
130.0859
5.27
L-Leucine
C6H13NO2 131.0946 neg [M-H]-
130.0859
5.77
L-Lysine
C6H14N2O2 146.1055 neg
not detected
L-Methionine
C5H11NO2S 149.0510 neg
not detected
L-(-)-Phenylalanine
C9H11NO2 165.0790 neg [M-H]-
164.0703
9.00
L-(-)-Proline
C5H9NO2 115.0633 neg
not detected
L-Serine
C3H7NO3 105.0426 neg
not detected
L-Threonine
C4H9NO3 119.0582 neg
not detected
L-Tryptophan
C11H12N2O2 204.0899 neg [M-H]-
203.0810
10.63
L-Tyrosine
C9H11NO3 181.0739 neg [M-H]-
180.0645
5.54
L-Valine
C5H11NO2 117.0790 neg [M-H]-
116.0707
3.15
L-(+)-Isoleucine
C6H13NO2 131.0946 pos [M+H]+
132.1008
5.34
L-(+)-Isoleucine
C6H13NO2 131.0946 neg [M-H]-
130.0859
5.26
Curcumin
C21H20O6 368.1260 pos [M+H]+
369.1300
23.10
Curcumin
C21H20O6 368.1260 neg [M-H]-
367.1142
23.09
Berberine
C20H18NO4+ 336.1230 pos M+
336.1217
16.91
Berberine
C20H18NO4+ 336.1230 neg
not detected
(+/-)-Anabasine
C10H14N2 162.1157 pos [M+H]+
163.1227
5.48
(+/-)-Anabasine
C10H14N2 162.1157 neg
not detected
Nicotinic acid
C6H5NO2 123.0320 pos [M+H]+
124.0388
3.74
Nicotinic acid
C6H5NO2 123.0320 neg [M-H]-
122.0234
3.71
Nicotinamide
C6H6N2O 122.0480 pos [M+H]+
123.0550
4.12
Nicotinamide
C6H6N2O 122.0480 neg
not detected
Isonicotinamide
C6H6N2O 122.0480 pos [M+H]+
123.0550
3.64
Isonicotinamide
C6H6N2O 122.0480 neg
not detected