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同位素未标记、13C标记和2H标记的2,4-二氯苯氧乙酸(2,4-D)处理拟南芥属T87细胞
发布时间:2020-12-16     作者:wyf   分享到:

同位素未标记、13C标记和2H标记的2,4-二氯苯氧乙酸(2,4-D)处理拟南芥属T87细胞

建立高准确度和普适性的外源性代谢物检测和鉴定分析方法对于评价**等化合物的安全性至关重要。基于液相色谱-四极杆串联高分辨质谱技术(LC/HRMS/MS),先应用稳定同位素标记目标原型化合物(13C2H),再进行特征峰识别和配对同位素峰过滤鉴定代谢物,通过代谢物随时间变化的轮廓分析确证代谢物,建立了高准确度的外源性代谢物检测和鉴定分析方法。

该研究使用未标记、13C标记和2H标记的2,4-二氯苯氧乙酸(2,4-D)处理拟南芥属T87细胞,经液相色谱高分辨质谱分析后进行特征峰识别和配对同位素峰过滤,得到83个候选代谢物,确认了262,4-D的代谢物,其中包括10个已报道代谢物和16个新发现的代谢物。

具体研究策略见图1

image.png

1 T87细胞中2,4-D代谢物研究策略

该研究共包括三个数据集:

1、未加药组和2,4-D给药组;

22,4-D给药组和13C8-2,4-D给药组;

32,4-D给药组和2H5-2,4-D给药组,每组细胞样品均在加药013710天时间点取样分析。

经质谱分析后数据集1得到30853个特征峰,扣除未加药组内源性特征峰并进行35Cl/37Cl同位素表型分析后,得到潜在代谢物645个,但这其中仍可能包含大量假阳性结果;数据集2得到34559个特征峰,对2,4-D给药组和13C8-2,4-D给药组在013710天时间点的特征峰峰面积轮廓进行统计分析(火山图分析,log2-fold change>|1|p<0.05)排除内源性代谢物,得到差异特征峰1626个,再进行同位素特征峰配对过滤(Δm/z 8.0272 Da,质量偏差<5ppm),得到候选代谢物81个;数据集3分析处理流程与数据集2相同,得到候选代谢物76个。综合数据集2和数据集3数据,总共得到候选代谢物83个,三个数据集分析流程见图2

image.png

2 数据集分析流程(a, 数据集1b, 数据集2c, 数据集3

产品供应列表:

cas号中文名称英文名称CAS号中文名称英文名称cas号中文名称英文名称
1228765-67-0伊达拉奉-D5Edaravone-d514132-51-5苯甲醛-D5Benzaldehyde-d574223-64-6UN甲磺隆-D3Metsulfuron-methyl-d3

利福平-D4Rifampicin-d439091-63-9溴代异丙烷-D72-Bromopropane-d7217487-17-7异丙隆-D6Isoproturon-d6
13292-46-1UN利福平-D8Rifampicin-d81455-13-6甲醇-D1Methanol-d13811-25-4UN氯丙那林-D7Clorprenaline-d7

25-去乙酰基利福平D425-Desacetyl rifampicin-d44165-57-5溴苯-D5Bromobenzene-d51794810-59-5盐酸班布特罗-D9Bambuterol-d9hydrochloride
66521-38-8
Melatonin-d4 865-50-9碘甲烷-D3Iodomethane-d3
苯乙醇胺A-D3PhenylethanolamineA-d3
204255-11-8UN奥司他韦磷酸盐-D5Oseltamivir phosphate-d553170-19-7二甲胺盐酸盐-D6Dimethyl-d6-aminehydrochloride1276197-17-1盐酸莱克多巴胺-D6Ractopamine-d6hydrochloride

苯芴醇-D9
106658-09-72-氨基丙烷-D7Isopropyl-d7-amine184006-60-8盐酸克伦特罗-D9Clenbuterol-d9hydrochloride

Lumefantrine-d9
215527-70-1苯硼酸-D5Phenyl-d5-boronicacid1346601-00-0羟甲基克仑特罗-D6Hydroxymethylclenbuterol-d6

苯芴醇-D9盐酸盐Lumefantrine-d9 hydrochloride68375-92-81,4-二溴丁烷-D81,4-Dibromobutane-d81173021-09-4克伦丙罗-D7Clenproperol-d7

伯胺喹-13C,D3Primaquine-13C,d34165-62-2苯酚-D5Phenol-d51325559-18-9盐酸马喷特罗-D11Mapenterolhydrochloride-d11

厄洛替尼-D6盐酸盐Erlotinib-d6 hydrochloride13127-88-3苯酚-D6Phenol-d61219794-72-5盐酸莱克多巴胺-D3Ractopamine-d3hydrochloride
1189966-73-1
Ganciclovir-d53675-63-6溴乙烷-D5Bromoethane-d51346599-61-8克伦塞罗-D10Clencyclohexerol-d10
1262992-43-7
Rifaximin-d64165-61-1苯胺-2,3,4,5,6-D5Aniline-d51353940-55-2溴布特罗-D9Brombuterol-d9
1261432-16-9霉酚酸-13C,D3Mycophenolic acid-13C,d36485-58-1碘乙烷-D5Iodoethane-d51346605-01-3盐酸喷布特罗-D9Penbutolol-d9hydrobromide

头孢泊肟酯-D3Cefpodoxime proxetil-d34165-56-4对二溴苯-D41,4-Dibromobenzene-d41325559-14-5盐酸妥布特罗-D9Tulobuterol-d9hydrochloride
491833-29-5UN依利格鲁司他-D4Eliglustat-d4314062-45-8哌嗪-D8二盐酸盐Piperazine-2,2,3,3,5,5,6,6-d8dihydrochloride1246819-04-4西布特罗-D9Cimbuterol-d9

4-羟基普萘洛尔-D74-Hydroxy propranolol-d7917358-65-7N-甲基哌嗪-2,2,3,3,5,5,6,6-D8N-Methylpiperazine-d81794793-20-6克仑潘特盐酸盐D5Clenpenterold5hydrochloride
1133425-75-8地拉罗斯-D4Deferasirox-d4285132-87-8二乙胺盐酸盐-D10Dityhyl-d10-animehydrochloride497063-94-2沙美特罗-D3Salmeterol-d3
1989660-59-4乙琥胺-D5Ethosuximide-d5152404-47-24-羟基苯甲酸-D44-Hydroxybenzoic-2,3,5,6-d4acid1346599-83-4可尔特罗代谢物-D93-o-methylcolterol-d9
1020719-55-4羟利培酮-D4Paliperidone-d425725-11-5叔丁醇-D92-Methyl-2-propanol-d91246819-58-8马布特罗-D9Mabuterol-d9
2122245-62-7阿比特龙-D4Abiraterone-d4101927-33-72-碘丙烷-D72-Iodopropane-d71353867-94-3盐酸溴布特罗-D9Brombuterol-d9hydrochloride
26787-78-0
Amoxicillin-d4102867-56-12-(2-羟基乙氧基)乙醇-D82-(2-Hydroxyethoxy)ethanol-d81173021-73-2沙丁醇胺-D9Racalbuterol-d9
1092540-50-5阿扎那韦 D6Atazanavir-d6102910-31-6正丙醇-D7N-Propanol-d797825-25-7UN莱克多巴胺盐酸盐-D5Ractopamine-d5hydrochloride
1217785-83-5泊沙康唑-D5Posaconazole-d5103963-58-21,2-苯二酚-3,4,5,6-D41,2-Benzene-3,4,5,6-d4-diol18559-94-9UN沙丁胺醇-D4Albuterol-d4
211914-51-1UN达比加群-D3Dabigatran-d31079-02-3苯甲酸-D5Benzoicacid-2,3,4,5,6-d51217818-36-4齐帕特罗-D7Zilpaterol-d7
65928-58-7UN地诺孕素-D8dienogest-d81173020-64-84-溴苯甲醛-D44-Bromobenzaldehyde-d41228182-44-2西马特罗D7Cimaterol-d7
76824-35-6UN法莫替丁-D4Famotidine-d41189723-14-51-甲基-4-哌啶酮-2,2,6,6-D41-Methyl-4-piperidone-2,2,6,6-d41219798-60-3沙丁胺醇-D3Salbutamol-d3
1004316-88-4UN可比西他-D8Cobicistat-d81219802-81-9苄胺-D5Benzyl-2,3,4,5,6-d5-amine1286129-04-1盐酸非诺特罗-D6Fenoterol-d6hydrobromide

克拉维酸甲酯-D3Clavulanic acid methyl-d3 ester1219803-98-1庚酸-D5Heptanoicacid-d5203633-19-6多巴胺盐酸盐-D4Dopamine-d4hydrochloride
1246815-13-3拉莫三嗪-13C,D3Lamotrigine-13c,d31257654-84-4三乙氧基硅烷-D1Triethoxysilane-d129138-58-5克伦特罗-D9Clenbuterol-d9
182431-12-5UN洛美他派-D8Lomitapide-d81259188-37-8三(2-乙基己基)磷酸酯-D51Tris(2-ethylhexyl)phosphate-d511189658-09-0特布他林-D9Terbutaline-d9
166432-28-6UN氯维地平-D7Clevidipine-d71335401-17-6丁香酚-D3Eugenol-d31217226-46-4呋喃妥因-13C3Nitrofurantoin-13c3
72599-27-0UN美格鲁特-D9Miglustat-d9134071-64-0叔丁胺-D9-盐酸盐tert-Butylamine-d9hydrochloride1015855-64-7呋喃它酮-D5Furaltadone-d5
1189713-18-5美金刚盐酸盐-D6Memantine-d6 hydrochloride14493-42-6丁二酸-2,2,3,3-D4Succinicacid-d41217222-76-8呋喃唑酮-D4Furazolidone-d4
151096-09-2UN莫西沙星-D4Moxifloxacin-d41628788-85-13-(苯基-2,3,4,5,6-D5)-9H-咔唑9H-Carbazole,3-(phenyl-2,3,4,5,6-d5)-1217220-85-3呋喃西林-13C,15N2Nitrofurazone-13C,15N2
81846-19-7UN曲前列尼尔-D4Treprostinil-d417901-93-8苯甲醛-D6Benzaldehyde-d6957509-31-8呋喃妥因代谢物-13C3AHD-13C3
150812-12-7UN瑞替加滨-D4Retigabine-d419136-91-5甲基乙酸-2,2-D2Propionic-2,2-d2acid1007476-86-9呋喃妥因代谢物衍生物-13C32-NP-AHD-13C3
155213-67-5UN瑞托那韦-D6Ritonavir-d6191656-33-4对氯苯胺-D44-Chloroaniline-d41017793-94-0呋喃它酮代谢物-D5AMOZ-d5
1401416-00-9索利那新-D5Solifenacin-d5202529-13-33-甲基吡啶-D73-Methylpyridine-d71173097-59-0呋喃它酮代谢物衍生物-D52-NP-AMOZ-d5
52-53-9UN维拉帕米-D7Verapamil-d72036-39-7噻吩-D4Thiophene-d41188331-23-8呋喃唑酮代谢物-D4AOZ-d4
1129540-33-5紫杉醇-D5Paclitaxel-d52199-69-11,2-二氯苯-D41,2-Dichlorobenzene-D41007478-57-0呋喃唑酮代谢物衍生物-D42-NP-AOZ-d4
132183-78-9卡马西平-D10Carbamazepine-d102199-72-61,2,4-三氯苯-D31,2,4-Trichlorobenzene-d31173020-16-0呋喃西林代谢物-13C,15N2SCA-HCL-13C,15N2

非诺特罗氢溴酸盐-D6Fenoterol-d6 hydrobromide2219-51-4乙二醇-D4Ethylene-d4glycol957509-32-9呋喃西林代谢物衍生物-13C,15N22-NP-SCA-13C,15N2


Terbutaline-d9 hcl223134-74-5异丁酸-D72-Methylpropionic-d7acid1258668-21-1孔雀石绿-D5苦味酸盐Malachitegreen-d5picrate
38363-40-5UN喷布洛尔-D9Penbutolol-d92256741-79-21-Boc-4-(4-氨基苯基)哌嗪-D81-Boc-4-(4-aminophenyl)piperazine-d81173021-13-0隐色孔雀石绿-D6Leucomalachitegreen-d6

妥布特罗-D9盐酸盐Tulobuterol-d9 hydrochloride22581-63-11,2-二溴乙烷-D41,2-Dibromoethane-d41266676-01-0结晶紫-D6Crystalviolet-d6
64-75-5UN盐酸四环素-D6Tetracycline-d6 hydrochloride25493-14-51-碘丙烷-D21-Iodopropane-d21173023-92-1隐色结晶紫-D6Leucocrystalviolet-d6

盐酸强力霉素-D3Doxycycline-d3 hydrochloride28077-64-7苯乙酮-D5Acetophenone-d5947601-82-3隐性孔雀石绿-D5Leucomalachitegreen-d5
79-57-2UN土霉素-D6Oxytetracycline-d628106-59-4苯甲醛-DBenzaldehyde-d11189863-86-2磺胺吡啶-D4Sulfapyridine-d4
33830-10-31-金刚烷-D15-胺1-Aminoadamantane-d15284474-52-84-羟基苯甲醛-2,3,5,6-D44-Hydroxybenzaldehyde-d41020719-78-1磺胺嘧啶-D4Sulfadiazine-d4

甲砜霉素-D3Thiamphenicol-d3284474-81-3氨基乙烷-D5盐酸盐Ethyl-d5-aminehydrochloride1020719-84-9磺胺甲基嘧啶-D4Sulfamerazined4

氟苯尼考-D3Florfenicol-d3288400-96-4苯丙酮-D10Propiophenone-d101020719-82-7磺胺二甲基嘧啶-D4Sulfamethazine-d4

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