Comprehensive Mass Spectrometric Analysis of Snake Fruit: Salak (Salacca zalacca)

Table 1

Mass spectrometric data (positive and negative ionization) for phenolic compounds detected in Salacca zalacca fruit pulp by UHPLC-HRMS/MS analysis.

Phenolic compound	Elemental composition	Rt (min)	[M + H]+ (m/z) measured		Typical fragment ions (positive mode, m/z), elemental composition of fragment, mass accuracy (ppm)
Procyanidine B1	C30H26O12	5.15	579.1497	20	427.10242 C22H19O9 (0.14 ppm); 409.09189 C22H17O8 (0.23 ppm); 291.08594 C15H15O6 (−1.30 ppm); 127.03896 C6H7O3 (−0.06 ppm)
Procyanidine B2	C30H26O12	5.62	579.1496	20	427.10220 C22H19O9 (−0.36 ppm); 409.09128 C22H17O8 (−1.26 ppm); 291.08597 C15H15O6 (−1.19 ppm); 127.03893 C6H7O3 (−0.36 ppm)
u.c. 3: presumable procyanidine isomer	C30H26O12	5.04	579.1499	20	427.10225 C22H19O9 (−0.41 ppm); 409.09130 C22H17O8 (−1.14 ppm); 127.03895 C6H7O3 (−0.10 ppm)
Procyanidine B3	C30H26O12	5.04	579.1499	20	427.10214 C22H19O9 (−0.51 ppm); 409.09137 C22H17O8 (−1.04 ppm); 127.03892 C6H7O3 (−0.46 ppm)
Syringic acid	C9H10O5	5.20	199.0601	25	155.07005 C8H11O3 (−1.40 ppm); 123.04406 C7H7O2 (0.03 ppm); 95.04945 C6H7O (3.29 ppm)
Rutin isomer (presumable)	C27H30O16	5.73	611.1606	20	300.02673 C15H8O7 (0.54 ppm); 271.02441 C14H7O6 (0.98 ppm); 255.02959 C14H7O5 (1.54 ppm)
Phenolic compound	Elemental composition	Rt (min)	[M − H]^− (m/z) measured		Typical fragment ions (negative mode, m/z), elemental composition of fragment, mass accuracy (ppm)
Gallic acid	C7H6O5	1.80	169.01425	45	125.02322 C6H5O3 (−0.10 ppm); 97.02815 C5H5O2 (−0.25 ppm)
Neochlorogenic acid	C16H18NO9	4.72	353.0878	40	191.05516 C7H11O6 (0.76 ppm)
Catechin	C15H14NO6	5.30	289.0717	30	245.08122 C14H13O4 (1.58 ppm); 203.07039 C12H11O3 (0.58 ppm); 125.02337 C6H5O3 (0.38 ppm); 109.02823 C6H5O2 (−1.63 ppm)
Ferulic acid	C10H10O4	5.40	193.05063	45	134.03600 C8H6O2 (0.23 ppm); 178.02608 C9H6O4 (0.01 ppm); 137.02319 C7H5O3 (−0.12 ppm)
u.c. 1: presumable chlorogenic acid isomer	C16H18NO9	5.64	353.0878	40	191.05506 C7H11O6 (0.25 ppm)
Chlorogenic acid	C16H18NO9	5.75	353.0878	40	191.05504 C7H11O6 (0.13 ppm)
u.c. 2: presumable chlorogenic acid isomer	C16H18NO9	6.02	353.0878	40	191.05514 C7H11O6 (0.64 ppm)
Caffeic acid	C9H8NO4	5.80	179.0350	20	135.04391 C8H7O2 (−1.04 ppm)
Epicatechin	C15H14NO6	5.98	289.0719	30	245.08121 C14H13O4 (1.51 ppm); 203.07028 C12H11O3 (0.06 ppm); 125.02325 C6H5O3 (−0.59 ppm); 109.02833 C6H5O2 (−0.72 ppm)
Isoquercetin	C21H20NO12	7.49	463.0882	30	301.03427 C15H9O7 (−0.03 ppm); 300.02667 C15H8O7 (0.73 ppm); 255.02887 C14H7O5 (0.27 ppm); 151.00255 C7H3O4 (−0.24 ppm)
Naringenin	C15H12NO5	8.33	271.0612	40	151.00249 C7H3O4 (−0.65 ppm); 119.04897 C8H7O (−1.41 ppm)
u.c. 4: presumable naringenin isomer	C15H12NO5	8.33	271.0612	40	151.00250 C7H3O4 (−0.60 ppm); 119.04894 C8H7O (−1.35 ppm)
Apigenin	C15H10NO5	9.02	269.0456	50	151.00266 C7H3O4 (0.46 ppm); 11.03336 C8H5O (−1.09 ppm)

: normalized collision energy.