Table 4.

The tentatively identified compounds in C. moschata ‘Butternut’ peel extracts.

Ionization Mode	RT [min]	Molecular Formula	m/z Experimental	m/z Calculated	Delta [ppm]	DBE	Tentative Compound	W	HG	E
[M-H]+	1.69	C6H14N4O2	175.1201	175.1190	−6.59	2	Arginin	+	++	++
[M-H]+	2.03	C5H9NO2	116.0708	116.0706	−1.69	2	Proline	nd	+	++
[M-H]−	2.03	C6H12O6	179.0570	179.0561	−4.93	1	Hexahydroxycyclohexane	+	+	+
[M-H]+	2.05	C5H11NO2	118.0866	118.0863	−2.95	1	L-valine	+++	++	++
[M-H]+	2.12	C5H10N2O2	131.0801	131.0815	10.72	2	Cucurbitine	nd	nd	++
[M-H]+	2.87	C10H13N5O4	268.1051	268.1040	−4.00	7	Adenosine	+++	+++	+++
[M-H]+	2.92	C9H11NO3	182.0836	182.0812	−13.42	5	L-tyrosine	+	++	++
[M-H]+	3.93	C3H7NO2S	122.0257	122.0270	−0.14	1	Cysteine	++	nd	nd
[M-H]+	4.50	C9H11NO2	166.0857	166.0863	3.36	5	L-phenylalanine	+++	++	+++
[M-H]+	5.95	C6H13NO5	180.0843	180.0866	13.12	1	D-Glucopyranosylamine	nd	++	nd
[M-H]+	6.26	C6H13N3O3	176.1037	176.1030	−4.18	2	Citrulline	nd	+	++
[M-H]−	13.05	C9H8O3	163.0419	163.0350	−11.17	6	p-coumaric acid	+	nd	+
[M-H]+	13.08	C11H12N2O2	205.0962	205.0972	4.67	7	L-tryptophan	++	++	++
[M-H]−	13.82	C11H12O5	223.0641	223.0612	−12.96	6	Sinapinic acid	nd	+	nd
[M-H]−	13.90	C7H6O3	137.0255	137.0244	−7.84	5	p-hydroxybenzoic acid	+	+	+
[M-H]−	21.87	C15H10O5	269.0482	269.0455	−9.82	11	Apigenin	nd	nd	+
[M-H]−	22.60	C15H10O6	285.0435	285.0405	−10.62	11	Kaempferol	nd	nd	+
[M-H]−	22.60	C15H10O6	285.0435	285.0405	−10.62	11	Luteolin	nd	nd	+
[M-H]−	36.47	C16H30O2	253.2152	253.2173	8.28	2	Palmitoleic acid	+	+	nd
[M-H]−	37.21	C16H32O2	255.2339	255.2330	−3.69	1	Palmitic acid	+	nd	++
[M-H]−	37.66	C18H32O2	279.2352	279.2330	−8.73	3	Linoleic acid	+	+	+
[M-H]−	38.07	C18H34O2	281.2503	281.2486	−6.01	2	Oleic acid	++	nd	nd

Rt = retention time. Delta = difference between the experimental and calculated mass (mmu). DBE = double bond equivalents. W - aqueous extracts, HG—hydroglycolic extracts, E—ethanolic extracts; + 0–1,000,000; ++ 1,000,000–15,000,000; +++ >15,000,000; nd—not detected.