Table 4.

Annotation of distinguishable metabolites belonging to phenylpropanoid pathway and related to Ciboria shiraiana-induced metabolic reprogramming in mulberry fruits. The reported ratio for HB1 and HB2 were obtained from a PLS-DA model of HB1, HB2 vs. CK, respectively.

Metabolites	m/z	Retention Time (min)	Adduct	Ion Mode	Molecular Formula	HB1		HB2		Regulated
						Ratio	p-Value	Ratio	p-Value
Phenylalanine	164.0707	5.026367	M − H	neg	C9H11NO2	2.1720	1.29 × 10−2	-	-	up
Cinnamic acid	149.0596	7.963617	M + H	pos	C9H8O2	11.4905	2.32 × 10−3	4.6224	1.84 × 10−3	down
p-Coumaric acid	163.039	4.4665	M − H	neg	C9H8O3	0.3405	1.27 × 10−2	0.3196	3.00 × 10−4	down
Caffeic acid	179.0339	4.141967	M − H	neg	C9H8O4	0.1961	1.64 × 10−2	0.1146	1.76 × 10−3	down
Sinapic acid	223.0598	4.5345	M − H	neg	C11H12O5	2.3948	9.14 × 10−3	2.9807	1.97 × 10−3	up
Cinnamaldehyde	150.0909	1.136233	M + NH4	pos	C9H8O	8.4712	1.47 × 10−4	-	-	up
p-Coumaraldehyde	149.0596	7.963617	M + H	pos	C9H8O2	11.4905	2.32 × 10−3	4.6224	1.84 × 10−3	up
Caffeyl aldehyde	147.0439	4.702383	M + H − H2O	pos	C9H8O3	0.3493	9.79 × 10−3	0.1463	5.00 × 10−5	down
Coniferyl aldehyde	179.0694	4.716667	M + H	pos	C10H10O3	0.5148	1.83 × 10−4	0.4065	1.91 × 10−4	down
β-d-Glucosyl-2-coumarinate	325.092	4.4665	M − H	neg	C15H18O8	0.3771	7.64 × 10−3	0.3288	2.31 × 10−4	down
Coumarine	147.0438	4.1807	M + H	pos	C9H6O2	0.4280	3.80 × 10−3	0.3453	1.02 × 10−5	down
Coniferyl acetate	205.086	7.407367	M + H − H2O	pos	C12H14O4	5.0356	1.44 × 10−3	4.4807	6.96 × 10−6	up
Chavicol; Isochavicol	135.0802	3.767783	M + H	pos	C9H10O	4.1766	6.69 × 10−4	5.2547	1.35 × 10−6	up
Methylchavicol; Anethole	131.0853	8.6643	M + H − H2O	pos	C10H12O	3.4420	7.26 × 10−5	3.1045	1.28 × 10−5	up
Eugenol; Isoeugenol	182.1174	4.759533	M + NH4	pos	C10H12O2	85.0298	3.30 × 10−6	22.8484	5.22 × 10−4	up
Methyleugenol; Isomethyleugenol	177.0911	7.402767	M − H	neg	C11H14O2	9.5141	2.26 × 10−2	7.4019	1.73 × 10−2	up