high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ()

dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) HR-MS (ESI+, MeCN) m/z: Isotopic distribution calcd. for C21H48CuN10 [M-Br]+: 503.3362 (100) [C21H4863CuN10]+; 504.3380 (27) [C2013CH4863CuN10]+, 584.2525 (100) [C21H4881Br63CuN10]+, 505.3350 (48) [C21H4865CuN10]+, 506.3364 (12) [C2013CH4865CuN10]+, 507.3393 (2) [C1913C2H4865CuN10]+, found: 503.3114 (100), 504.3139 (28), 505.3096 (50), 506.3120 (12), 507.3147 (1).

本数据集为高分辨率电喷雾电离飞行时间质谱（high-resolution electrospray ionisation time-of-flight mass spectrometry, HR-ESI-TOF-MS）测试数据集，测试采用高分辨质谱（电喷雾正离子模式，溶剂为乙腈（MeCN）），相关质荷比（m/z）信息如下：针对[C₂₁H₄₈CuN₁₀-Br]⁺离子的理论同位素分布计算结果为：503.3362（丰度100）对应[C₂₁H₄₈⁶³CuN₁₀]⁺；504.3380（丰度27）对应[C₂₀¹³CH₄₈⁶³CuN₁₀]⁺；584.2525（丰度100）对应[C₂₁H₄₈⁸¹Br⁶³CuN₁₀]⁺；505.3350（丰度48）对应[C₂₁H₄₈⁶⁵CuN₁₀]⁺；506.3364（丰度12）对应[C₂₀¹³CH₄₈⁶⁵CuN₁₀]⁺；507.3393（丰度2）对应[C₁₉¹³C₂H₄₈⁶⁵CuN₁₀]⁺。实测同位素分布结果为：503.3114（丰度100）、504.3139（丰度28）、505.3096（丰度50）、506.3120（丰度12）、507.3147（丰度1）。