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. 2022 May 24;96(8):2299–2317. doi: 10.1007/s00204-022-03308-z

Table 4.

PAs (tentatively) identified in DMSO extracts of H. europaeum fractions by LC–Orbitrap-MS

Elementary composition Detected mass (amu) Deviation (ppm) RT (min) Annotation Annotation levela Putative activity Relative intensityb Area, *1e7
Fr 4 Fr 5 Fr 6 Fr 7 Fr 8 Fr 9 Fr 10 Total
C13H19NO4 253.1310 − 1.47 8.59 Hydroxyangeloyl heliotridine (or isomer) 3 Medium 0.15% 11.6 11.6
C15H25NO4 283.1782 − 0.48 7.42 Supinine 2 Medium 0.11% 8.6 8.6
C15H25NO5 299.1728 − 1.58 6.82 Echinatine 1 Medium 0.13% 10.0 10.0
C15H25NO5 299.1728 − 1.54 6.99 Rinderine 1 Medium 1.17% 25.5 63.9 89.5
C15H25NO6 315.1676 − 1.87 4.92 5′− Hydroxyrinderine 2 Medium 0.68% 52.0 52.0
C16H27NO4 297.1936 − 1.29 9.62 Heleurine 2 Medium 0.95% 72.6 72.6
C16H27NO5 313.1881 − 2.77 8.61 Heliotrine 1 Medium 41.6% 3170 7.4 3177
C16H27NO6 329.1843 1.35 6.40 Europine isomer 3 Medium 0.27% 20.9 20.9
C16H27NO6 329.1830 − 2.66 6.58 Europine 1 Medium 37.8% 6.5 2790 11.9 70.2 6.1 19.0 2900
C16H27NO6 329.1839 0.09 6.81 Europine isomer 3 Medium 0.87% 65.8 65.8
C16H27NO6 329.1831 − 2.11 7.91 Europine isomer 3 Medium 0.15% 11.3 11.3
C16H27NO7 345.1782 − 1.67 5.85 Hydroxyeuropine isomer 3 Medium 0.11% 8.0 8.0
C18H25NO5 335.1720 − 2.60 12.12 Heliotridine 1,7− diester 3 High 0.39% 29.7 29.7
C18H29NO7 371.1938 − 1.69 8.59 5′− Acetyleuropine 2 Medium 0.68% 52.1 52.1
C18H29NO7 371.1937 − 1.87 8.85 7− Acetyleuropine (or isomer) 2 Medium 0.39% 29.9 29.9
C20H31NO7 397.2100 − 0.10 10.79 Heliosupine 1 High 0.36% 27.2 27.2
C21H33NO6 395.2311 0.81 12.38 7− Angeloylheliotrine 2 High 0.15% 11.2 9.2
C21H33NO7 411.2244 − 3.17 11.45 7− Tigloyleuropine 2 High 1.19% 90.8 90.8
C21H33NO7 411.2245 − 3.02 11.54 Lasiocarpine 1 High 10.2% 770 6.5 777
C23H35NO8 453.2369 1.38 11.86 5′− Acetyl− 7− tigloyleuropine 2 High 0.17% 13.1 13.1
C23H35NO8 453.2351 − 2.54 12.12 5′− Acetyllasiocarpine 2 High 2.48% 189 189
Total area, *1e7 58.5 2920 95.7 3330 113 880 250 7650
% of total area 0.8% 38.1% 1.3% 43.6% 1.5% 11.5% 3.3%

Note: Only heliotridine mono- and diesters were considered

aAnnotation levels: 1: authentic standard available; 2: literature data available, known component; 3: tentative assignment based on elementary composition and mass fragmentation spectrum

bCutoff level for reporting compound: peak area: 0.1% of total peak area. Fraction 1–3 did not contain compounds above the cutoff level