Published December 31, 2019
| Version v1
Dataset
Open
Table 2 in Metabolomic profiling of Zanthoxylum species: Identification of anticholinesterase alkaloids candidates
Authors/Creators
- 1. ∗ & National University of Colombia, Chemistry Department, Cr 30 N ° 45 - 03, 111321, Bogotá, Colombia
Description
Table 2 Tentative identification of potential anti-cholinesterase alkaloids selected from S-plot applying a cut-off for correlation (p[corr]) and covariance (w *).
| VarID | Rt (min) | [M+H] +/M+ (m/z) | Molecular formula | Error (ppm) | MS2 (m/z) | Tentative identification | |
|---|---|---|---|---|---|---|---|
| 9POS | 18.327 | 354.1697 | C H NO + 21 24 4 | −0.80 | 190.0863 (100) | ||
| N-methylcanadine | |||||||
| 48POS | 30.968 | 350.13840 | C21H19NO4 | −0.81 | 334.1070 (100) | ||
| 318.1105 (21.4) 304.1040 (22.8) 290.0790 (10.7) | dihydrohelerythrine | ||||||
| 232POS | 18.666 | 348.12299 | C H NO + 21 18 4 | −0.13 | 332.0917 (100) 318.0755 (50.5) 304.0966 (57.7) 290.0808 (28.0) | ||
| Chelerythrine | |||||||
| 419POS | 18.439 | 336.12290 | C H NO + 20 18 4 | −0.40 | 321.0940 (39.7) 320.0920 (100) 306.0724 (38.3) 292.0965 (72.0) 278.0777 (16.1) | ||
| 40POS 293POS | 17.815 30.593 | 354.17007 406.16498 | C H NO + 21 24 4 C24H23NO5 | 0.23 0.20 | 190.0901 (100) 348.1201 (100) 332.0910 (76.0) 318.1105 (32.3) 304.1040 (35.0) 290.0790 (7.78) | Berberine N-methylcanadine (Isomer) | |
| 6-acetonyldihydrochelerythrine | |||||||
| 123POS | 17.912 | 338.13870 | C H NO + 20 20 4 | 0.04 | 338.1382 (6.65) 323.1140 (50.0) 322.1090 (100) | ||
| 308.0910 (51.9) 294.1101 (61.6) 280.0990 (20.8) | columbamine | ||||||
| 284POS | 28.499 | 408.14441 | C23H21NO6 | 0.60 | 348.1221 (100) 332.0910 (37.9) 318.1105 (12.1) 304.1040 (15.9) | ||
| 6-acetyldihydrochelerythrine | |||||||
| 301POS | 27.079 | 364.11798 | C H NO + 21 18 5 | 0.09 | 349.0940 (43.7) 334.0720 (100) 320.0910 (25.8) 306.0691 (19.5) 301.0710 (7.6) | ||
| 6-oxychelerythrine | |||||||
| 432POS | 27.856 | 392.14932 | C H NO + 23 22 5 | 0.18 | 348.1220 (100) 332.0910 (37.9) 318.1105 (12.1) 304.1040 (15.9) | ||
| 6-methoxychelerythrine | |||||||
| 825POS | 18.199 | 334.10757 | C H NO + 20 16 4 | 0.56 | 319.0830 (100) 304.0600 (21.8) | ||
| 291.0901 (26.1) | fagaridine | ||||||
Notes
Published as part of Plazas, Erika, Casoti, Rosana, Murillo, Monica Avila, Costa, Fernando Batista Da & Cuca, Luis Enrique, 2019, Metabolomic profiling of Zanthoxylum species: Identification of anticholinesterase alkaloids candidates, pp. 4 in Phytochemistry 168 on page 4, DOI: 10.1016/j.phytochem.2019.112128, http://zenodo.org/record/10483700
Files
Files
(3.9 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:c662a9c5a97a0a69c9aa802ea8d6e635
|
3.9 kB | Download |
System files
(7.9 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:cf867a6f5b07287f748a2dcf676e4544
|
7.9 kB | Download |