| 其它标识： |
MDL：MFCD00869479
SMILES：O=C(C1=CC=CC=C1)OCC(C(C2(O)O3)C4)(C3OC5(C2)C)C45OC(C(C(O)C6O)O)OC6COC(C7=CC=CC=C7)=O
InChI：InChI=1S/C30H32O12/c1-27-14-29(36)19-12-30(27，28(19，26(41-27)42-29)15-38-24(35)17-10-6-3-7-11-17)40-25-22(33)21(32)20(31)18(39-25)13-37-23(34)16-8-4-2-5-9-16/h2-11，18-22，25-26，31-33，36H，12-15H2，1H3/t18-，19-，20-，21+，22-，25+，26-，27+，28+，29-，30+/m1/s1
Note：储备液建议分装冻存,避免反复冻融(-20℃,1个月);稀释后的工作液建议现用现配
|
| 基本信息： |
CAS：38642-49-8
中文名称：苯甲酰芍药苷
英文名称：Benzoylpaeoniflorin
别名：Enzoylaconitine;
纯度：HPLC≥98%
分子式：C30H32O12
分子量：584.57
外观(性状)：白色至类白色结晶或粉末
规格：20mg
溶解性：≥10mg/mL in DMSO
储存条件：Store at 2-8℃，2 years.
|
| 溶解性： |
≥10mg/mL in DMSO |
产品详情
本品为分析标准品。
使用本产品的案例（仅供参考）
LC-MS/MS
LC-MS/MS conditions Analysis was performed using a liquid chromatographytandem mass spectrometer LC–MS/MS equipped with an ESI source. Separation was performed using a C18 column (250 mm × 4.6 mm × 5 μm). The flow rate was 0.4 ml/min, and the column temperature was maintained at 25℃. The mobile phases were formic acid: water (0.1:100, v/v) as mobile phase A, and methanol:acetonitrile (1:1) and 0.1% formic acid as mobile phase B. The binary gradient elution conditions were: (A:B): 0.01 min–5 min, 70:30→5:95;5–8 min, 5:95;8.01 min–16 min, 70:30. Detection was performed using multiple reaction monitoring (MRM) in positive mode, and the optimized MRM parameters for each compound are shown in Table 1. The mass condition parameters were set as: nebulizer gas, 3 L/min;drying gas, 10.0 L/min;heating gas, 10.0 L/min;interface temperature, 30℃;collision-induced dissociation (CID) gas, 230 kPa;DL temperature, 250℃;thermal block temperature, 400℃;interface voltage, −4.5 kV. The autosampler was kept at 4℃.
来源文献：Xu H, Pan LB, Yu H, Han P, Fu J, Zhang ZW, Hu JC, Yang XY, Keranmu A, Zhang HJ, Bu MM, Jiang JD, Wang Y. Gut microbiota-derived metabolites in inflammatory diseases based on targeted metabolomics. Front Pharmacol. 2022 Sep 27;13:919181. doi: 10.3389/fphar.2022.919181. PMID: 36238574;PMCID: PMC9551995.
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