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. 2014 May 27;(87):51358. doi: 10.3791/51358
CSID Name Formula Monoisotopic Mass Search Mass Error    (ppm) R.T.             (min)
234 beta-Alanine C3H7NO2 89.04800 89.04805 0.62 8.08
1057 Sarcosine C3H7NO2 89.04768 89.04805 4.22 8.08
5735 alanine C3H7NO2 89.04768 89.04805 4.22 8.08
568 Creatinine C4H7N3O 113.05900 113.05889 1.00 4.41
128566 Proline C5H9NO2 115.06333 115.06338 0.41 7.54
6050 L-(+)-Valine C5H11NO2 117.07898 117.07896 0.18 7.42
7762 Amyl nitrite I C5H11NO2 117.07898 117.07896 0.18 7.42
135 5-amino valeric acid C5H11NO2 117.07900 117.07896 0.38 7.42
242 trimethylglycine C5H11NO2 117.07900 117.07896 0.38 7.42
911 Niacinamide C6H6N2O 122.04800 122.04793 0.55 2.60
1091 Taurin C2H7NO3S 125.01466 125.01469 0.20 7.61
1030 Pyrroline hydroxycarboxylic acid C5H7NO3 129.04259 129.04259 0.02 8.51
7127 PCA C5H7NO3 129.04259 129.04259 0.02 8.51
90657 N-Acryloylglycine C5H7NO3 129.04259 129.04259 0.02 8.51
388752 5-Oxo-D-prolin C5H7NO3 129.04259 129.04259 0.02 8.51
389257 3-Hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylic acid C5H7NO3 129.04259 129.04259 0.02 8.51
8031176 Pyrrolidonecarboxylic acid C5H7NO3 129.04259 129.04259 0.03 8.51
5605 Hydroxyproline C5H9NO3 131.05824 131.05901 5.83 8.08
7068 N-Acetylalanin C5H9NO3 131.05824 131.05901 5.83 8.08
79449 Ac-Ala-OH C5H9NO3 131.05824 131.05901 5.83 8.08
89122 Ethylformylglycine C5H9NO3 131.05824 131.05901 5.83 8.08
167744 l-Glutamic-gamma-semialdehyde C5H9NO3 131.05824 131.05901 5.83 8.08
388519 5-Amino-2-oxopentanoic acid C5H9NO3 131.05824 131.05901 5.83 8.08
134 Aminolevulinic acid C5H9NO3 131.05800 131.05901 7.70 8.08
9312313 3-Hydroxy-L-proline C5H9NO3 131.05800 131.05901 7.70 8.08
566 Creatine C4H9N3O2 131.06900 131.06905 0.36 8.08
5880 L-(+)-Leucine C6H13NO2 131.09464 131.09455 0.68 6.96
6067 L-(+)-Isoleucine C6H13NO2 131.09464 131.09455 0.68 6.96
19964 L-Norleucine C6H13NO2 131.09464 131.09455 0.68 6.96
388796 beta-Leucine C6H13NO2 131.09464 131.09455 0.68 6.96
548 Aminocaproic acid C6H13NO2 131.09500 131.09455 3.48 6.96
6031 L-(-)-Asparagine C4H8N2O3 132.05350 132.05348 0.10 8.31
109 Ureidopropionic acid C4H8N2O3 132.05299 132.05348 3.71 8.31
6026 L-Ornithine C5H12N2O2 132.08987 132.08988 0.02 10.37
64236 D-Ornithine C5H12N2O2 132.08987 132.08988 0.02 10.37
5746 Glutamine C5H10N2O3 146.06914 146.06900 0.93 8.25
128633 D-Glutamine C5H10N2O3 146.06914 146.06900 0.93 8.25
141172 Ureidoisobutyric acid C5H10N2O3 146.06914 146.06900 0.93 8.25
21436 N-Methyl-<scp>D</scp>-aspartic acid C5H9NO4 147.05316 147.05300 1.13 8.06
21814 D-(-)-Glutamic acid C5H9NO4 147.05316 147.05300 1.13 8.06
30572 L-(+)-Glutamic acid C5H9NO4 147.05316 147.05300 1.13 8.06
58744 N-Acetyl-L-serine C5H9NO4 147.05316 147.05300 1.13 8.06
5907 L-(-)-methionine C5H11NO2S 149.05106 149.05095 0.70 7.39
6038 Histidine C6H9N3O2 155.06947 155.06940 0.48 8.33
5910 L-(-)-Phenylalanine C9H11NO2 165.07898 165.07887 0.63 6.60
1025 Pyridoxine C8H11NO3 169.07390 169.07376 0.80 3.24
4463 Oxidopamine [USAN:INN] C8H11NO3 169.07390 169.07376 0.80 3.24
102750 5-(2-aminoethyl)-Pyrogallol C8H11NO3 169.07390 169.07376 0.80 3.24
388394 Norepinephrine C8H11NO3 169.07390 169.07376 0.80 3.24
6082 L-(+)-Arginine C6H14N4O2 174.11168 174.11144 1.39 10.77
64224 D-Arg C6H14N4O2 174.11168 174.11144 1.39 10.77
780 heteroauxin C10H9NO2 175.06300 175.06304 0.18 2.32
67261 Indole-3-acetaldehyde, 5-hydroxy- C10H9NO2 175.06332 175.06304 1.65 2.32
3574185 INDOLE-2-ACETIC ACID C10H9NO2 175.06332 175.06304 1.65 2.32
5833 L-(-)-Tyrosine C9H11NO3 181.07390 181.07378 0.66 7.48
389285 3-Amino-3-(4-hydroxyphenyl)propanoic acid C9H11NO3 181.07390 181.07378 0.66 7.48
13628311 L-threo-3-phenylserine C9H11NO3 181.07390 181.07378 0.66 7.48
425 4-hydroxy-4-(3-pyridyl)butanoic acid C9H11NO3 181.07401 181.07378 1.25 7.48
13899 3-(1H-Indol-3-yl)acrylic acid C11H9NO2 187.06332 187.06330 0.15 6.44
10607876 Indoleacrylic acid C11H9NO2 187.06332 187.06330 0.15 6.44
389120 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 188.15248 188.15221 1.45 10.87
388321 5"-S-Methyl-5"-thioadenosine C11H15N5O3S 297.08957 297.08898 2.00 2.56
144 9-(5-s-methyl-5-thiopentofuranosyl)-9h-purin-6-amine C11H15N5O3S 297.09000 297.08898 3.43 2.56
111188 Glutathione C10H17N3O6S 307.08380 307.08345 1.14 8.02