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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“>摘要>经典的半定量Rice-Ramsperger-Kassel（RRK）理论用于计算串联质谱（MS/MS）中碰撞诱导离解（CID）反应的内能相关反应速率系数。存活率（SY）由前体离子单分子离解的反应速率方程确定。根据仪器条件对速率方程和RRK模型的参数进行了近似。我们使用RRK方程来描述裂解反应的基本行为，并估算前体离子的内能。估算了各种分子的临界碎裂能（<fi>E</fi><sub><fi>o</fi></sub>），并与文献报道的碎裂能进行了比较。通过考虑离子源中产生的离子的初始内能分布，对模型进行了扩展。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 </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：None; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> <li >中文文献</li> <li >专利</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/academic-journal-cn_chinese-chemical-letters_thesis/0201255723013.html">Detection of optical stability of chiral 2-methylbutyric acid in gas phase with quadrupole-quistor-quadrupole mass spectrometer</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> </a> <a href="/journal-foreign-16399/" target="_blank" rel="nofollow" class="tuijian_authcolor">中国化学快报（英文版） .</a> <span>1999</span><span>,第003期</span> </span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" 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Yuan Jiang PANI</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=U.P.SCHLUNEGGERZ(Department of Chemistry Zhejiang University Hangzhou 310027)(Department of Chemistry and Biochemistry. Berne University CH-30 12 BernSwitzerland)&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,U.P.SCHLUNEGGERZ(Department of Chemistry Zhejiang University Hangzhou 310027)(Department of Chemistry and Biochemistry. Berne University CH-30 12 BernSwitzerland)</a> <span> <a href="/journal-cn-52847/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 中国化学快报：英文版 </a> </span> <span> . 1999</span><span>,第3期</span> </span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/academic-conference-cn_meeting-10352_thesis/0202288935.html">Quantitative Analysis with Process Quadrupole Mass Spectrometer</a> <b>[C]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Jian Wei&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . Jian Wei</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Zbigniew Krieger&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,Zbigniew Krieger</a> <span> <a href="/conference-cn-10352/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 第四届中国在线分析仪器应用及发展国际论坛 </a> <span> <span> . 2011</span> </span> </div> </li> </ul> <ul style="display: none;"> <li> <div> <b>1. </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>2. </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>3. </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> </p> </li> </ul> </div> </div> </div> <div class="theme cardcommon" style="overflow: auto;display:none"> <h3 class="all_title" id="enpatent55">相关主题</h3> <ul id="subject"> </ul> </div> </div> </div> </div> <div class="right rightcon"> <div class="details_img cardcommon clearfix" style="margin-bottom: 10px;display:none;" > </div> </div> </div> <div id="thesis_get_original1" class="downloadBth" style="bottom: 19px;z-index: 999;" onclick="ywcd('0704029325153','4',7,2,1,'',this,24)" class="delivery" prompt="010401" title="通过人工服务将文献原文发送至邮箱" >获取原文</div> <div class="journalsub-pop-up" style="display: none"> <div class="journal-sub"> <h2>期刊订阅</h2> <img src="https://cdn.zhangqiaokeyan.com/img/loginclose.png" alt="" onclick="$('.journalsub-pop-up').hide()"> <p class="pardon">抱歉，该期刊暂不可订阅，敬请期待！</p> <p class="current">目前支持订阅全部北京大学中文核心（2020）期刊目录。</p> <div style="display: flex;margin-top: 69px;justify-content: space-between;"> <div 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