| |
| |
Number |
Compound |
Ret. Time(min) |
Observed mass(Da) |
Exact mass (Da) |
Molecular formula |
Main fragments |
Organism |
KEGG COMPOUND |
| |
| |
mr1266 |
Indole-3-carboxaldehyde |
9.40 |
|
|
|
118.1, 105.0, 91.1 |
|
|
| |
mr1445 |
Cytidine |
1.61 |
244.0937 |
244.0928 |
C9H13N3O5 |
112.1 |
Morinda citrifolia |
|
| |
mr1342 |
Scopoletin |
6.24 |
193.0500 |
193.0495 |
C10H8O4 |
178.1, 150.0, 133.1, 105.0, 91.0 |
Triticum aestivum |
|
| |
mr1004 |
N-Caffeoylputrescine |
2.73 |
251.1394 |
251.1390 |
C13H18N2O3 |
163.2, 135.1, 117.0, 89.0 |
|
|
| |
mr1054 |
Linoleic acid |
21.80 |
|
|
|
81.1, 263.3, 245.3, 105.1, 91.1 |
|
|
| |
mr1321 |
L-Proline |
1.57 |
|
|
|
70.0, 66.6, 63.9 |
|
|
| |
mr1265 |
Inosine 5'-monophosphate |
2.68 |
|
|
|
137.0, 305.0, 233.1 |
|
|
| |
mr1438 |
L-Asparagine |
1.72 |
|
|
|
74.0, 123.1, 112.1, 83.1 |
|
|
| |
mr1126 |
Vitamin B2 |
6.74 |
|
|
|
243.1, 216.1, 198.2, 172.3, 145.3 |
|
|
| |
mr1364 |
sn-Glycero-3-phosphocholine |
1.58 |
258.1111 |
258.1101 |
C8H20NO6P |
104.2, 240.2, 184.2, 125.1, 99.1 |
|
|
|
|
