Table 2.
S.No. | Compound | TMS derivative | RT (min) | Area (RPA%) | PubChem CID | Qualification Ions |
---|---|---|---|---|---|---|
1 | Ethylene glycol | 2 | 7.80 | 0.0128 | 81858 | 191, 103 |
2 | l-Valine | 1 | 9.91 | 0.2018 | 22211754 | 174, 156 |
3 | l-Alanine | 2 | 10.07 | 0.5709 | 11424808 | 218, 116 |
4 | 2-Pyrrolidinone | 1 | 10.94 | 0.0067 | 84461 | 157, 142 |
5 | l-Proline | 1 | 11.40 | 1.9422 | 13514636 | 187, 172 |
6 | l-Valine | 2 | 11.85 | 0.2201 | 11108121 | 246, 144 |
7 | l-Isoleucine | 2 | 12.93 | 0.0736 | 21632765 | 260, 158 |
8 | l-Threonine | 2 | 12.96 | 0.1475 | 91696554 | 248, 130 |
9 | Succinic acid | 2 | 13.19 | 0.2194 | 520988 | 262, 247 |
10 | Uracil | 2 | 13.54 | 0.028 | 552702 | 256, 241 |
11 | Fumaric acid | 2 | 13.63 | 0.0193 | 5353016 | 245, 83 |
12 | l-Serine | 3 | 13.71 | 0.0507 | 90474444 | 306, 204 |
13 | l-Threonine | 3 | 14.03 | 0.0767 | 21632766 | 320, 291 |
14 | D-(−)-Citramalic acid | 3 | 15.16 | 0.0392 | 526005 | 349, 247 |
15 | Malic acid | 3 | 15.26 | 1.0752 | 522155 | 350, 233 |
16 | l-Threonic acid | 4 | 16.11 | 0.1114 | 528672 | 409, 292 |
17 | l-Asparagine | 2 | 16.88 | 0.0675 | 276, 159 | |
18 | l-Glutamic acid | 3 | 17.02 | 0.0513 | 12451984 | 363, 246 |
19 | dl-Phenylalanine | 2 | 17.36 | 0.0705 | 12451977 | 294, 192 |
20 | 3,4-Dihydroxy-benzyl alcohol | 3 | 18.18 | 0.0065 | 101663520 | 356, 267 |
21 | 4-Methylcatechol | 2 | 19.37 | 0.0275 | 530364 | 268, 253 |
22 | d-Fructofuranose | 5 | 19.61 | 7.1974 | 528401 | 437, 257 |
23 | D-Pinitol | 5 | 20.07 | 9.4039 | 91750479 | 507, 318 |
24 | l-Tyrosine | 3 | 21.76 | 0.1753 | 14189425 | 397, 218 |
25 | β-d-Glucopyranose | 5 | 22.00 | 4.9769 | 13587619 | 435, 204 |
26 | d-Gluconic acid | 6 | 22.57 | 0.0486 | 523310 | 435, 333 |
27 | Oxaloacetic acid | 3 | 22.80 | 0.007 | 553054 | 333, 231 |
28 | d-Glucuronic acid | 5 | 23.29 | 0.0149 | 22211710 | 539, 305 |
29 | Ferulic acid | 2 | 24.08 | 0.0837 | 5379186 | 338, 323 |
30 | Caffeic acid | 3 | 24.67 | 0.1278 | 5376254 | 396, 219 |
31 | L-Tryptophan | 2 | 25.91 | 0.1436 | 521975 | 348, 202 |
32 | Sucrose | 8 | 30.70 | 2.0906 | 10931011 | 451, 361 |
33 | 1-Monopalmitin | 2 | 30.80 | 0.0976 | 552033 | 459, 371 |