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An approach to estimate the activation energies of fragmentation occurring in quadrupole collision cell of the mass spectrometer

机译：一种估计质谱仪四极孔碰撞细胞中发生碎片激活能的方法

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Abstract > The classical semi‐quantitative Rice‐Ramsperger‐Kassel (RRK) theory was used for the calculation of the internal energy dependent reaction rate coefficient of the collision‐induced dissociation (CID) reaction in tandem mass spectrometry (MS/MS). The survival yield (SY) was determined by the reaction rate equation for the unimolecular dissociation of the precursor ion. The parameters of the rate equation and the RRK model were approximated based on the instrumental conditions. We used the RRK equation for the description of the basic behavior of the fragmentation reactions and for the estimation of the internal energy of the precursor ion. The critical energies for fragmentation ( <fi>E</fi> <sub> <fi>o</fi> </sub> ) of various molecules were estimated and compared with those reported in the literature. The model was extended by taking into account the initial internal energy distribution of the ions created in the ion source. It must be emphasized that our approach provides only a crude estimate for <fi>E</fi> <sub> <fi>o</fi> </sub> . </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><abstract xmlns =“http://www.wiley.com/namespaces/wiley”type =“main”> <title type =“main”>抽象</ title> >经典半量值米ramsperger- Kassel（RRK）理论用于计算串联质谱（MS / MS）中的碰撞诱导的解离（CID）反应的内部能量依赖反应速率系数。通过对前体离子的单分子解离的反应速率方程测定存活产率（SY）。速率方程和RRK模型的参数基于仪器条件近似。我们使用RRK方程描述了碎片反应的基本行为的描述，并用于估计前体离子的内部能量。估计各种分子的碎片的临界能量（<fi> e </ fi> <sub> <fi> </ sub> </ sub> </ sub>），并与文献中报道的那些进行比较。通过考虑在离子源中产生的离子的初始内部能量分布来延长该模型。必须强调的是，我们的方法只提供了<fi> e </ fi> <sub> <fi> o </ fi> </ sub>的粗略估计。 </ p> </ abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-34906/'>《Journal of mass spectrometry: JMS》</a> <b style="margin: 0 2px;">|</b><span>2017年第10期</span><b style="margin: 0 2px;">|</b><span>共9页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Kuki ákos&option=202" target="_blank" rel="nofollow">Kuki ákos;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Nagy Lajos&option=202" target="_blank" rel="nofollow">Nagy Lajos;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Zsuga Miklós&option=202" target="_blank" rel="nofollow">Zsuga Miklós;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Kéki Sándor&option=202" target="_blank" rel="nofollow">Kéki Sándor;</a> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> <p>Department of Applied ChemistryUniversity of DebrecenEgyetem tér 1 Debrecen H‐4032 Hungary;</p> <p>Department of Applied ChemistryUniversity of DebrecenEgyetem tér 1 Debrecen H‐4032 Hungary;</p> <p>Department of Applied ChemistryUniversity of DebrecenEgyetem tér 1 Debrecen H‐4032 Hungary;</p> <p>Department of Applied ChemistryUniversity of DebrecenEgyetem tér 1 Debrecen H‐4032 Hungary;</p> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/1187.html" title="分析化学">分析化学;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=collision cell&option=203" rel="nofollow">collision cell;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=collision‐induced dissociation&option=203" rel="nofollow">collision‐induced dissociation;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=RRK model&option=203" rel="nofollow">RRK model;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=survival yield&option=203" rel="nofollow">survival yield;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=tandem mass spectrometry&option=203" rel="nofollow">tandem mass spectrometry;</a> </p> <div class="translation"> 机译：碰撞细胞;碰撞诱导的解离;RRK模型;存活产量;串联质谱; 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XIA Ti-rui</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=夏体锐&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,夏体锐</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=YANG Hong-guang&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,YANG Hong-guang</a> <span> <a href="/conference-cn-6667/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 中国质谱学会第32届年会 </a> <span> <span> . 2012</span> </span> </div> </li> <li> <div> <b>7. </b><a class="enjiyixqcontent" href="/academic-degree-domestic_mphd_thesis/020312838933.html">提高真空环境中痕量杂质四极质谱仪灵敏度的实验分析方法研究</a> <b>[A] </b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=杨玲玲&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 杨玲玲</a> <span> . 2015</span> </span> </div> </li> </ul> <ul style="display: none;"> <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/patent-detail/06120112384327.html">用于三重四极质谱仪中射频发生系统的相位同步方法</a> <b>[P]</b> . <span> 中国专利： CN112422119A </span> <span> . 2021-02-26</span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/patent-detail/06120101002448.html">一种用于四极杆质谱仪的射频发生系统及控制方法</a> <b>[P]</b> . <span> 中国专利： CN110098103A </span> <span> . 2019-08-06</span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/patent-detail/06130476515739.html">TANDEM QUADRUPOLE MASS SPECTROMETER FOR SELECTED ION FRAGMENTATION STUDIES AND LOW ENERGY COLLISION INDUCED DISSOCIATOR THEREFOR</a> <b>[P]</b> . <span> 外国专利： <!-- --> CA1117224A </span> <span> . 1982-01-26</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：串联四极杆质谱仪用于选择离子裂解研究和低能碰撞诱导的离解剂 </span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/patent-detail/06130477336485.html">Tandem quadrupole mass spectrometer for selected ion fragmentation studies and low energy collision induced dissociator therefor</a> <b>[P]</b> . <span> 外国专利： <!-- 美国专利： --> US4234791A </span> <span> . 1980-11-18</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：串联四极杆质谱仪用于选定的离子碎片研究及其低能碰撞诱导离解剂 </span> </p> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/patent-detail/06130448218215.html">Fragmentation in quadrupole ion trap mass spectrometers involves ramping voltage of stimulating frequency mixture up from low to high values during fragmentation period</a> <b>[P]</b> . <span> 外国专利： <!-- 德国专利： --> DE19932839A1 </span> <span> . 2001-01-25</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：四极杆离子阱质谱仪中的碎片化过程涉及在碎片化期间将频率混合物的刺激电压从低值升高到高值 </span> 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