Table 1 Identification of absorbed components in rats’ plasma after oral administration of L. sativum extract by UPLC-MS/MS.

From: Serum metabolomics-driven network pharmacology elucidate the anti-rheumatoid arthritis potential of garden cress

No	RT (min)	Identified compounds	Quasi molecular –ions	Measured mass(m/z)	Formula	MS/MS data	Transformations	References
M 1	0.79	Aspartic acid	[M-H]^-	308.06	C₁₀H₁₅NO₁₀	132, 88	O-Glucuronidation of aliphatic acids	²⁸
1	0.81	Proline	[M + H]⁺	116.13	C₅H₉NO₂	72	Prototype	²⁹
2	3.26	Cysteine	[M + H]⁺	122.16	C₃H₇NO₂S	77	Prototype	³⁰
M 2	8.67	Benzyl isothiocyanate	[M + H]⁺	457.12	C₁₈H₂₄N₄O₆S₂	150	GSH-Conjugation of isothiocyanate	³¹
3	9.97	Kaempferol-7-hexoside	[M + H]⁺	433.38	C₂₁H₂₀O₁₀	271, 151, 133	Prototype	³²
4	10.99	Glucobrassicin	[M-H]^-	447.46	C₁₆H₂₀N₂O₉S₂	367, 205	Prototype	³³
M 3	14.81	Glucobrassicin	[M-H]^-	285.00	C₁₀H₁₀N₂O₄S₂	205	Glycoside hydrolysis	³⁴
M 4	14.96	3,4,5-Trimethoxybenzyl glucosinolate	[M + H]⁺	515.11	C₁₈H₂₈NO₁₂S₂	482, 420, 258	Thioester S-methylation	³⁴
M 5	15.05	Glucotropaolin	[M + H]⁺	490.01	C₁₄H₁₉NO₁₂S₃	327, 309, 224, 165	Sulfation of 1^ry & 2^ry alcohol	⁴
M6	15.55	Benzyl glucosinolate	[M + H]⁺	489.00	C₁₄H₁₈NO₁₂S₃	407, 276, 242	Sulfation of 1^ry alcohol	³⁵
M7	16.01	Lepidine B/E/F	[M + H]⁺	523.19	C₂₆H₂₇N₄O₈	347, 174	N-Glucuronidation of azole	⁴,²⁸
5	16.08	4-Methoxyglucobrassicin	[M + H]⁺	479.50	C₁₇H₂₂N₂O₁₀S₂	399, 237	Prototype	³³
M8	16.16	4-Methoxyglucobrassicin	[M-H]^-	492.08	C₁₈H₂₅N₂O₁₀S₂	316	Thioester S-methylation	³⁴
6	16.61	Macathioamide A	[M-H]^-	283.37	C₁₆H₁₆N₂OS	240, 212, 168	Prototype	³⁶
7	18.45	Lepidine B /E/F	[M + H]⁺	347.39	C₂₀H₁₈N₄O₂	174	Prototype	⁴
M9	18.45	Lepidine E	[M + H]⁺	331.15	C₂₀H₁₈N₄O	158	4'-Dehydroxylation of substituted benzene	⁴
M10	19.87	Myristoleic acid	[M-H]^-	281.20	C₁₆H₂₉NO₃	225, 181	Glycine conjugation	³⁷
M11	21.99	Lepidimoic acid	[M-H]^-	319.06	C₁₂H₁₆O₁₀	275	Dehydrogenation of 2^ry alcohol	³⁸
8	22.37	Lepidine AK	[M + H]⁺	361.41	C₂₁H₂₀N₄O₂	188	Prototype	⁴
M12	22.37	9,11,14-Eicosatrienoic acid	[M-H]^-	362.27	C₂₂H₃₇NO₃	306	Glycine conjugation	³⁷
M13	24.34	Nervonic acid	[M-H]^-	337.31	C₂₂H₄₂O₂	293	Beta oxidation of carboxylic acid	³⁸
M14	28.21	Methyl isoheptadecanoate	[M-H]^-	269.24	C₁₇H₃₄O₂	73	Hydrolysis of carboxylic acid ester	³⁹
9	30.04	Macaridine	[M + H]⁺	216.25	C₁₃H₁₃NO₂	198, 169, 152	Prototype	⁴⁰
M15	31.07	Alpha-linolenic acid	[M-H]^-	293.21	C₁₈H₃₀O₃	233, 69, 59	Aliphatic hydroxylation	⁴¹,⁴²
10	31.10	Apetalumoside A	[M-H]^-	801.67	C₃₄H₄₂O₂₂	639, 477, 315	Prototype	⁴³
11	31.20	Myristoleic acid	[M-H]^-	225.34	C₁₄H₂₆O₂	181	Prototype	³⁷

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Table 1 Identification of absorbed components in rats’ plasma after oral administration of L. sativum extract by UPLC-MS/MS.

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