Table 1.
Blood-entry components in YYJH
| Mode | No | Compound name | Formula | tR (min) | Calculated (m/z) | Observed (m/z) | Mass error (ppm) | MS/MS | ||
|---|---|---|---|---|---|---|---|---|---|---|
| [M + H]+ | 1 | Geniposide | C17H24O10 | 14.45 | 387.1285 | 387.1282 | -0.7 | 355.1044, 341.1093, 225.0768, 207.0661, 147.0443, 127.0389, 123.0441, 119.0339, 101.0232 | ||
| [M + H]+ | 2 | Mussaenoside | C17H26O10 | 41.56 | 391.1598 | 391.1590 | -2.1 | 373.27289, 355.26410, 159.11714, 119.03310, 98.22581, 74.99190, 68.84775 | ||
| [M + H]+ | 3 | Glycocholic acid | C26H43NO6 | 42.06 | 466.3163 | 466.3151 | -2.6 | 430.2940, 412.2855, 353.3494, 337.2532, 272.0925, 227.1812, 213.1644, 178.6233, 145.1006, 89.4083, 76.0403, 68.6482 | ||
| [M + H]+ | 4 | Phenylalanine | C10H13NO2 | 4.89 | 166.0862 | 166.0865 | 1.8 | 209.7565, 149.0605, 131.0495, 120.0812, 104.9638, 90.9485, 70.0021, 62.1227 | ||
| [M + Na]+ | 5 | Glycochenodeoxycholic acid | C26H43NO5 | 24.59 | 472.3033 | 472.3014 | -4.0 | 455.2853, 404.7690, 224.1874, 133.0864, 89.0604, 68.6326 | ||
| [M + Na]+ | 6 | Taurochenodeoxycholic acid | C26H45NO6S | 53.43 | 522.2859 | 522.2862 | 0.6 | 504.3478, 339.2904, 258.1114, 238.4904, 184.0736, 166.0636, 125.0001, 104.1075, 98.9848, 86.0971 | ||
| [M + H20 + H]+ | 7 | Andrographolide | C20H30O5 | 34.1 | 333.2060 | 333.2062 | 0.6 | 315.1953, 297.1851, 285.1863, 257.1536, 203.1066, 172.1304, 133.1014, 121.1012, 107.0863, 93.0706, 79.8600, 69.3162 | ||
| [M + H20 + H]+ | 8 | Dehydrated andrographolide | C20H28O4 | 34.05 | 315.19554 | 315.1957 | 0.5 | 297.1868, 285.1861, 257.1552, 241.1230, 203.1077, 163.0759, 159.1174, 121.1017 | ||
| [M − H]− | 9 | Taurine | C2H7NO3S | 1.91 | 124.0062 | 124.0062 | 0.0 | 136.13356, 124.99945, 79.95600, 78.95787, 62.96258 | ||
| [M − H]− | 10 | Citric acid | C6H8O7 | 1.98 | 191.0186 | 191.0193 | 3.6 | 173.0084, 160.8413, 146.0235, 133.0133, 115.0023, 111.0076, 101.0230, 87.0075, 85.0285, 69.9971, 57.0332 | ||
| [M − H]− | 11 | Cholic acid | C24H40O5 | 45.48 | 407.2792 | 407.2811 | 4.7 | 389.26950, 363.29068, 343.26630, 325.25500, 289.21866, 254.15192, 193.15935, 148.92697, 129.97130, 95.04901, 68.80843 | ||
| [M − H]− | 12 | Caffeic acid | C9H8O4 | 25.2 | 179.0338 | 179.0347 | 5.0 | 150.9530, 134.9869, 128.1606, 121.0284, 98.2357, 90.9968, 75.2433, 70.3967, 66.1907 | ||