. 2016 Sep 1;17(9):1456. doi: 10.3390/ijms17091456

Table 2.

Accurate LC-ESI-TOF-MS mass measurements of compounds identified in the Curcubita pepo (C. pepo) seed extracts.

Mode	Rt (min)	Molecular Formula	m/z exp.	m/z calc.	Δ ppm	RDB	In Source ESI-MS Fragments	Proposed Compound	ETE	HWE	CWE
Alkaloids
[M + H]+	25.47	C₂₀H₁₈NO₄	335.1155	335.1158	0.7	13	321, 306, 292, 278	Berberine	++	++	+
[M + H]+	25.87	C₂₁H₂₂NO₄	352.1539	352.1543	1.24	12	337, 322, 308, 292	Palmatine	+	++	+
Amino Acids
[M + H]+	2.2	C₅H₁₀N₂O₂	131.0832	131.0815	2.34	2	ND	Cucurbitine	+	+	++
[M + H]+	2.6	C₆H₁₃N₃O₃	175.0978	175.0951	1.56	2	ND	Citrulline	+	+	+
[M + H]+	14.20	C₉H₁₁NO₂	166.0860	166.0863	1.55	5	120, 103	l-Phenylalanine	+	++	+++
[M + H]+	15.63	C₁₁H₁₂N₂O₂	205.0974	205.0972	−1.2	7	188, 146, 118	l-Tryptophan	+++	+	+++
[M + H]+	8.85	C₅H₁₀NO₂	118.0855	118.0863	6.45	1	ND	l-Valine	+++	+	+
Nucleosides
[M + H]+	15.49	C₁₀H₁₃N₅O₄	268.1037	268.1040	1.24	7	184, 136, 118	Adenosine	++	++	+
Fatty Acids
[M − H]−	69.40	C₁₆H₃₂O₂	255.2330	255.2322	2.94	1	ND	Palmitic acid	++++	+++	++++
[M − H]−	66.32	C₁₆H₃₀O₂	253.2143	253.2139	−3.0	2.5	112	Palmitoleic acid	++	+	++
[M − H]−	63.52	C₁₈H₃₆O₂	283.2643	283.2642	0.19	1	239	Stearic acid	-	++	++
[M − H]−	70.96	C₁₈H₃₄O₂	281.2486	281.2492	−2.11	2	237	Oleic acid	++	+++	++++
[M − H]−	67.06	C₁₈H₃₂O₂	279.2330	279.2323	2.33	3	235	Linoleic acid	+++	++++	+++++
[M − H]−	64.33	C₁₈H₃₀O₂	277.2173	277.2179	−2.14	4	233, 205	α-Linolenic acid	++	+	+

RDB—double bond equivalent, ETE—Ethanol extract, HWE—Hot water extract, CWE—Cold water extract, ND—No data, Rt—Retention time, “-“—Lack of presence, “+/++/+++/++++”—The subjective rating of the compounds concentration in different extracts, where “+” is the lowest and “++++”—The highest content.