A LC–ESI–MS/MS analysis procedure coupled with solid phase extraction and MeOH extraction method for determination of pyrrolizidine alkaloids in Tussilago farfara and Lithospermi erythrorhzion

Ko, Kyung Yuk; Jeong, Se Hee; Choi, Eun Young; Lee, Kyungjin; Hong, Yongmin; Kang, Il hyun; Cho, Sooyeul; Lee, Chulhyun

doi:10.1186/s13765-021-00621-6

Applied Biological Chemistry

Table 1 The conditions of multiple reaction monitoring (MRM) for determination of 28 PAs in herbal medicines using LC–MS/MS

From: A LC–ESI–MS/MS analysis procedure coupled with solid phase extraction and MeOH extraction method for determination of pyrrolizidine alkaloids in Tussilago farfara and Lithospermi erythrorhzion

No.	Compound name	PAs Abbr	RT^a (min)	Formula	Cas No	Precursor ion [M + H]⁺	MRM ion transitions (m/z)		CE^b (eV)
							Quantitative ion	Confirmation ion
1	Echimidine	Em	20.33	C₂₀H₃₁NO₇	520-68-3	398.25	120.1	220.1	− 25
2	Echimidine N-oxide	EmN	20.33	C₂₀H₃₁NO₈	41093-89-4	414.15	254.1	352.2	− 17
3	Erucifoline	Er	7.25	C₁₈H₂₃NO₆	40158-95-0	350.20	120.2	138.25	− 31
4	Erucifoline N-oxide	ErN	8.49	C₁₈H₂₃NO₇	123864-94-8	366.20	94.2	119.15	− 25
5	Europine	Eu	8.05	C₁₆H₂₇NO₆	570-19-4	329.70	138.2	156.1	− 29
6	Europine N-oxide	EuN	9.10	C₁₆H₂₇NO₇	65582-53-8	346.30	172.05	111.1	− 28
7	Heliotrine	Hn	12.29	C₁₆H₂₇NOs	303-33-3	314.20	138.15	156.2	− 44
8	Heliotrine N-oxide	HnN	14.19	C₁₆H₂₇NO₆	6209-65-0	330.10	172.15	111.1	− 31
9	Intermedine	Im	8.01	C₁₅H₂₅NO₅	10286-06-0	300.30	94.15	138.05	− 34
10	Intermedine N-oxide	ImN	9.80	C₁₅H₂₅NO₆	95462-14-9	316.20	172.05	94.1	− 25
11	Jacobine	Jb	8.18	C₁₈H₂₅NO₆	6870-67-3	352.30	120.15	155.15	− 31
12	Jacobine N-oxide	JbN	9.20	C₁₈H₂₅NO₇	38710-25-7	368.10	296.15	120.15	− 44
13	Lasiocarpine	Lc	20.59	C₂₁H₃₃NO₇	303-34-4	412.20	120.1	336.15	− 20
14	Lasiocarpine N-oxide	LcN	20.68	C₂₁H₃₃NO₈	127-30-0	428.20	254.3	93.85	− 28
15	Lycopsamine	La	8.43	C₁₅H₂₅NO₅	10285-07-1	300.20	94.1	138.1	− 27
16	Lycopsamine N-oxide	LaN	10.37	C₁₅H₂₅NO₆	95462-15-0	316.35	172.15	94.15	− 43
17	Monocrotaline	Mc	6.02	C₁₆H₂₃NO₆	315-22-0	326.15	120.1	94.1	− 27
18	Monocrotaline N-oxide	McN	7.96	C₁₆H₂₃NO₇	35337-98-5	342.15	137.1	119.1	− 20
19	Retrorsine	Re	11.47	C₁₈H₂₅NO₆	480-54-6	352.20	120.1	138.15	− 28
20	Retrorsine N-oxide	ReN	12.27	C₁₈H₂₅NO₇	15503-86-3	368.20	94.20	118.05	− 41
21	Senecionine	Sc	16.15	C₁₈H₂₅NO₅	130-01-8	336.20	120.1	94.05	− 31
22	Senecionine N-oxide	ScN	17.61	C₁₈H₂₅NO₆	13268-67-2	352.20	94.1	118.05	− 29
23	Seneciphylline	Sp	12.59	C₁₈H₂₃NO₅	480-81-9	334.15	120.10	94.1	− 26
24	Seneciphylline N-oxide	SpN	7.25	C₁₈H₂₃NO₆	38710-26-8	350.20	120.15	94.10	− 38
25	Senecivernine	Sv	15.42	C₁₈H₂₅NO₅	72755-25-0	336.20	120.1	308.3	− 28
26	Senecivernine N-oxide	SvN	16.60	C₁₅H₂₅NO₆	101687-28-9	352.20	118.1	94.15	− 19
27	Senkirkine	Sk	20.47	C₁₉H₂₇NO₆	2318-18-5	366.20	168.15	122.15	− 29
28	Trichodesmine	Td	11.49	C₁₈H₂₇NO₆	548-90-3	354.25	222.10	120.05	− 48

^aRT retention time
^bCE collision energy

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