A rapid multiclass method for antibiotic residues in goat dairy products by UPLC-quadrupole/electrostatic field orbitrap high-resolution mass spectrometry

Zhang, Lu; Shi, Liang; He, Qiang; Li, Ying

doi:10.1186/s40543-021-00268-4

Journal of Analytical Science and Technology

Table 1 UPLC-quadrupole/electrostatic field orbitrap parameters of the 60 veterinary antibiotic residues

From: A rapid multiclass method for antibiotic residues in goat dairy products by UPLC-quadrupole/electrostatic field orbitrap high-resolution mass spectrometry

No.	Compound	RT (min)	Elemental composition	Ionization mode	Theoretical precursor (m/z)	Measured precursor (m/z)	Accuracy(△ppm)	Production1 (m/z)	Production2 (m/z)	NCD
1	Sulfaguanidine	1.13	C₇H₁₀N₄O₂S	[M+H]⁺	215.05972	215.05916	− 2.60	158.02707	149.02336	20
2	Metronidazole-OH	1.47	C₆H₉N₃O₄	[M+H]⁺	188.06658	188.06615	− 2.29	123.05563	126.03013	35
3	2-Methyl-5-nitroimidazole	1.50	C₄H₅N₃O₂	[M+H]⁺	128.04545	128.04562	1.33	98.04795	111.04313	90
4	Metronidazole	1.83	C₆H₉N₃O₃	[M+H]⁺	172.07167	172.07126	− 2.38	128.04578	–	20,40,60
5	Cefapirin	2.02	C₁₇H₁₇N₃O₆S₂	[M+H]⁺	424.06315	424.06180	− 3.18	292.0575	320.05334	16
6	Sulfadiazine	2.34	C₁₀H₁₀N₄O₂S	[M+H]⁺	251.05972	251.05910	− 2.47	156.01151	98.98463	30
7	Dimetridazole	2.50	C₅H₇N₃O₂	[M+H]+	142.0611	142.06088	− 1.55	95.06079	56.05011	70
8	Sulfathiazole	2.77	C₉H₉N₃O₂S₂	[M+H]+	256.02089	256.02014	− 2.93	156.01149	108.04473	20,40,60
9	Sulfapyridine	2.81	C₁₁H₁₁N₃O₂S	[M+H]+	250.06447	250.06380	− 2.68	156.01157	184.08719	35
10	Lincomycin	2.86	C₁₈H₃₄N₂O₆S	[M+H]+	407.22103	407.21994	− 2.68	126.12802	–	20,40,60
11	Sulfamerazine	2.96	C₁₁H₁₂N₄O₂S	[M+H]⁺	265.07537	265.07462	− 2.83	156.01152	190.02831	35
12	Ampicillin	2.97	C16H19N3O4S	[M+H]+	350.1169	350.11603	− 2.48	106.0655	192.04791	20
13	Penicillin G	2.98	C₁₆H₁₈N₂O₄S	[M+H]⁺	335.106	335.10513	− 2.60	128.05305	91.05464	50
14	Trimethoprim	3.01	C₁₄H₁₈N₄O₃	[M+H]⁺	291.14517	291.14441	− 2.61	123.06679	261.09839	50
15	Enoxacin	3.02	C₁₅H₁₇FN₄O₃	[M+H]⁺	321.13575	321.13498	− 2.40	206.07185	250.06224	60
16	Marbofloxacin	3.04	C17H19FN4O4	[M+H]+	363.14631	363.14532	− 2.73	72.08136	261.10376	20,40,60
17	Norfloxacin	3.05	C16H18FN3O3	[M+H]+	320.1405	320.13971	− 2.47	205.0784	233.10873	60
18	Ofloxacin	3.07	C18H20FN3O4	[M+H]+	362.15106	362.15015	− 2.51	318.16141	261.10361	35
19	Pefloxacin	3.08	C₁₇H₂₀FN₃O₃	[M+H]⁺	334.15615	334.15521	− 2.81	233.1087	205.07704	60
20	Fleroxcain	3.08	C₁₇H₁₈F₃N₃O₃	[M+H]⁺	370.1373	370.13626	− 2.81	326.14755	269.08969	35
21	Ciprofloxacin	3.08	C₁₇H₁₈FN₃O₃	[M+H]⁺	332.1405	332.13953	− 2.92	231.05676	98.9846	60
22	Danofloxacin	3.12	C₁₉H₂₀FN₃O₃	[M+H]⁺	358.15615	358.15521	− 2.62	82.06564	96.08123	60
23	Sulfadimethoxine	3.11	C₁₂H₁₄N₄O₂S	[M+H]⁺	279.09102	279.09018	− 3.01	204.04398	124.08715	35
24	Lomefloxacin	3.13	C₁₇H₁₉F₂N₃O₃	[M+H]⁺	352.14672	352.14584	− 2.50	265.1149	308.15735	35
25	Sulfamethizole	3.16	C₉H₁₀N₄O₂S₂	[M+H]⁺	271.03179	271.03110	− 2.55	156.01154	108.04475	20,40,60
26	Ipronidazole-OH	3.16	C₇H₁₁N₃O₃	[M+H]⁺	186.08732	186.08690	− 2.26	168.07701	82.06566	20,40,60
27	Sulfamethoxydiazine	3.16	C₁₁H₁₂N₄O₃S	[M+H]⁺	281.07029	281.06946	− 2.95	156.01154	126.06644	30
28	Enrofloxacin	3.17	C₁₉H₂₂FN₃O₃	[M+H]⁺	360.1718	360.17081	− 2.75	245.10895	203.06152	60
29	Sulfamethoxypyridazine	3.19	C₁₁H₁₂N₄O₃S	[M+H]⁺	281.07029	281.06949	− 2.85	156.01152	108.04471	30
30	Ornidazole	3.21	C₇H₁₀ClN₃O₃	[M+H]⁺	220.04835	220.04778	− 2.59	128.04572	–	35
31	Orbifloxacin	3.22	C₁₉H₂₀F₃N₃O₃	[M+H]⁺	396.15295	396.15186	− 2.75	295.10544	352.16312	35
32	Demethylchlortetracycline	3.28	C₂₁H₂₁ClN₂O₈	[M+H]⁺	465.10592	465.10463	− 2.77	448.07971	430.06918	20
33	Sparfloxacin	3.32	C19H22F2N4O3	[M+H]+	393.17327	393.17212	− 2.92	292.12558	349.18362	35
34	Sarafloxacin	3.30	C₂₀H₁₇F₂N₃O₃	[M+H]⁺	386.13107	386.13007	− 2.59	299.09912	342.14148	35
35	Spiramycin	3.34	C₄₃H₇₄N₂O₁₄	[M+H]⁺	843.52128	843.51898	− 2.73	174.11266	142.12254	20
36	Difloxacin	3.34	C₂₁H₁₉F₂N₃O₃	[M+H]⁺	400.14672	400.14578	− 2.35	299.0993	356.1571	40
37	Sulfachlorpyridazine	3.34	C₁₀H₉ClN₄O₂S	[M+H]⁺	285.02075	285.02002	− 2.56	156.01147	108.04472	20,40,60
38	Nafcillin	3.36	C₂₁H₂₂N₂O₅S	[M+H]⁺	415.13222	415.13104	− 2.84	128.0531	256.0975	40
39	Chlorotetracycline	3.34	C₂₂H₂₃ClN₂O₈	[M+H]⁺	479.12157	479.12003	− 3.21	462.095	444.08493	20
40	Sulfamethoxazole	3.40	C₁₀H₁₁N₃O₃S	[M+H]⁺	254.05939	254.05869	− 2.76	156.01154	108.04475	35
41	Clindamycin	3.41	C₁₈H₃₃ClN₂O₅S	[M+H]⁺	425.18715	425.18610	− 2.47	126.12799	–	20,40,60
42	Sulfadimethoxypyrimidine	3.41	C₁₂H₁₄N₄O₄S	[M+H]⁺	311.08085	311.07993	− 2.96	156.0769	108.04472	35
43	Sulfisoxazole	3.49	C₁₁H₁₃N₃O₃S	[M+H]⁺	268.07504	268.07425	− 2.95	156.01155	113.07126	20
44	Ipronidazole	3.58	C₇H₁₁N₃O₂	[M+H]⁺	170.0924	170.09193	− 2.76	109.07641	84.08131	60
45	Doxycycline	3.50	C₂₂H₂₄N₂O₈	[M+H]⁺	445.16054	445.15936	− 2.65	428.13425	359.02859	20
46	Ceftiofur	3.50	C₁₉H₁₇N₅O₇S₃	[M+H]⁺	524.03629	524.03522	− 2.04	241.03911	210.02065	20
47	Sulfadimoxine	3.65	C₁₂H₁₄N₄O₄S	[M+H]⁺	311.08085	311.07993	− 2.96	156.01155	108.04476	35
48	Sulfaquinoxaline	3.66	C₁₄H₁₂N₄O₂S	[M+H]⁺	301.07537	301.07458	− 2.62	156.0112	108.0445	35
49	Sulfaphenazole	3.68	C₁₅H₁₄N₄O₂S	[M+H]⁺	315.09102	315.09003	− 3.14	265.1149	308.15735	35
50	Tilmicosin	3.69	C₄₆H₈₀N₂O₁₃	[M+H]⁺	869.57332	869.57434	1.17	174.11258	694.46985	30
51	PenicillinV	3.69	C₁₆H₁₈N₂O₅S	[M+H]⁺	351.10092	351.09982	− 3.13	229.06467	257.05951	19
52	Erythromycin	3.83	C₃₇H₆₇NO₁₃	[M+H]⁺	734.46852	734.46637	− 2.93	158.11775	576.37396	15
53	Tylosin	3.91	C₄₆H₇₇NO₁₇	[M+H]⁺	916.52643	916.52716	0.80	174.11261	88.07617	20,40,60
54	Nalidixic acid	3.99	C₁₂H₁₂N₂O₃	[M+H]⁺	233.09207	233.09232	1.07	205.06107	187.05046	60
55	Oxacillin	4.01	C₁₉H₁₉N₃O₅S	[M+H]⁺	402.11182	402.11185	0.07	160.04289	243.07666	17
56	Flumequine	4.06	C₁₄H₁₂NO₃F	[M+H]⁺	262.0874	262.08774	1.30	220.04066	238.05119	70
57	Cloxacillin	4.18	C₁₉H₁₈ClN₃O₅S	[M+H]⁺	436.07285	436.07355	1.61	178.00571	220.01628	20
58	Dicloxacillin	4.43	C₁₉H₁₇Cl₂N₃O₅S	[M+H]⁺	470.03387	470.03674	6.11	160.04286	310.99814	15
59	Roxithromycin	4.46	C₄₁H₇₆N₂O₁₅	[M+H]⁺	837.53185	837.5387	8.18	679.43811	158.11763	15
60	Josamycin	4.79	C₄₂H₆₉NO₁₅	[M+H]⁺	828.474	828.47449	0.59	174.11267	109.06515	20

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