CINXE.COM

<!DOCTYPE html> <html lang="en-US"> <head > <meta charset="UTF-8" /> <meta name="viewport" content="width=device-width, initial-scale=1" /> <meta name='robots' content='index, follow, max-image-preview:large, max-snippet:-1, max-video-preview:-1' />  <title>Advanced LC-MS Tools and Software Solutions to Ease Your Metabolite Identification Challenges - AnalyteGuru</title> <meta name="description" content="Metabolite identification using LC-MS instrumentation from in vitro and in vivo studies is a critical part of the drug development process" /> <link rel="canonical" href="https://www.thermofisher.com/blog/analyteguru/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges/" /> <meta property="og:locale" content="en_US" /> <meta property="og:type" content="article" /> <meta property="og:title" content="Advanced LC-MS Tools and Software Solutions to Ease Your Metabolite Identification Challenges" /> <meta property="og:description" content="Metabolite identification using LC-MS instrumentation from in vitro and in vivo studies is a critical part of the drug development process" /> <meta property="og:url" content="https://www.thermofisher.com/blog/analyteguru/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges/" /> <meta property="og:site_name" content="AnalyteGuru" /> <meta property="article:publisher" content="https://www.facebook.com/ChromatographySolutions" /> <meta property="article:published_time" content="2024-03-28T18:55:05+00:00" /> <meta property="article:modified_time" content="2024-05-07T16:07:06+00:00" /> <meta property="og:image" content="https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Metabolite-ID-2.jpg" /> <meta property="og:image:width" content="1200" /> <meta property="og:image:height" content="668" /> <meta property="og:image:type" content="image/jpeg" /> <meta name="author" content="AnalyteGuru Staff" /> <meta name="twitter:card" content="summary_large_image" /> <meta name="twitter:creator" content="@ChromSolutions" /> <meta name="twitter:site" content="@ChromSolutions" /> <meta name="twitter:label1" content="Written by" /> <meta name="twitter:data1" content="AnalyteGuru Staff" /> <meta name="twitter:label2" content="Est. reading time" /> <meta name="twitter:data2" content="3 minutes" /> <script type="application/ld+json" class="yoast-schema-graph">{"@context":"https://schema.org","@graph":[{"@type":"WebPage","@id":"https://www.thermofisher.com/blog/analyteguru/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges/","url":"https://www.thermofisher.com/blog/analyteguru/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges/","name":"Advanced LC-MS Tools and Software Solutions to Ease Your Metabolite Identification Challenges - AnalyteGuru","isPartOf":{"@id":"https://www.thermofisher.com/blog/analyteguru/#website"},"primaryImageOfPage":{"@id":"https://www.thermofisher.com/blog/analyteguru/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges/#primaryimage"},"image":{"@id":"https://www.thermofisher.com/blog/analyteguru/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges/#primaryimage"},"thumbnailUrl":"https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Metabolite-ID-2.jpg","datePublished":"2024-03-28T18:55:05+00:00","dateModified":"2024-05-07T16:07:06+00:00","author":{"@id":"https://www.thermofisher.com/blog/analyteguru/#/schema/person/47226155467d66d692f24162ee320270"},"description":"Metabolite identification using LC-MS instrumentation from in vitro and in vivo studies is a critical part of the drug development process","breadcrumb":{"@id":"https://www.thermofisher.com/blog/analyteguru/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges/#breadcrumb"},"inLanguage":"en-US","potentialAction":[{"@type":"ReadAction","target":["https://www.thermofisher.com/blog/analyteguru/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges/"]}]},{"@type":"ImageObject","inLanguage":"en-US","@id":"https://www.thermofisher.com/blog/analyteguru/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges/#primaryimage","url":"https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Metabolite-ID-2.jpg","contentUrl":"https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Metabolite-ID-2.jpg","width":1200,"height":668},{"@type":"BreadcrumbList","@id":"https://www.thermofisher.com/blog/analyteguru/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges/#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Home","item":"https://www.thermofisher.com/blog/analyteguru/"},{"@type":"ListItem","position":2,"name":"Advanced LC-MS Tools and Software Solutions to Ease Your Metabolite Identification Challenges"}]},{"@type":"WebSite","@id":"https://www.thermofisher.com/blog/analyteguru/#website","url":"https://www.thermofisher.com/blog/analyteguru/","name":"AnalyteGuru","description":"Your educational resource for biopharma, pharma, environmental, food and agriculture, industrial, and clinical labs","potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https://www.thermofisher.com/blog/analyteguru/?s={search_term_string}"},"query-input":{"@type":"PropertyValueSpecification","valueRequired":true,"valueName":"search_term_string"}}],"inLanguage":"en-US"},{"@type":"Person","@id":"https://www.thermofisher.com/blog/analyteguru/#/schema/person/47226155467d66d692f24162ee320270","name":"AnalyteGuru Staff","image":{"@type":"ImageObject","inLanguage":"en-US","@id":"https://www.thermofisher.com/blog/analyteguru/#/schema/person/image/","url":"https://secure.gravatar.com/avatar/13dc4fe276cbef4815beab3822073707?s=96&d=mm&r=g","contentUrl":"https://secure.gravatar.com/avatar/13dc4fe276cbef4815beab3822073707?s=96&d=mm&r=g","caption":"AnalyteGuru Staff"},"url":"https://www.thermofisher.com/blog/author/kerrycolligan/"}]}</script>  <link rel='dns-prefetch' href='//www.thermofisher.com' /> <link rel='dns-prefetch' href='//players.brightcove.net' /> <link rel='dns-prefetch' href='//use.fontawesome.com' /> <link rel="alternate" type="application/rss+xml" title="AnalyteGuru » Feed" href="https://www.thermofisher.com/blog/analyteguru/feed/" /> <link rel="alternate" type="application/rss+xml" title="AnalyteGuru » Comments Feed" href="https://www.thermofisher.com/blog/analyteguru/comments/feed/" />  <script src="https://cdn.optimizely.com/js/8156647427.js"></script>  <script> (function(h,o,t,j,a,r){ h.hj=h.hj||function(){(h.hj.q=h.hj.q||[]).push(arguments)}; h._hjSettings={hjid:373708,hjsv:5}; a=o.getElementsByTagName('head')[0]; r=o.createElement('script');r.async=1; r.src=t+h._hjSettings.hjid+j+h._hjSettings.hjsv; a.appendChild(r); })(window,document,'//static.hotjar.com/c/hotjar-','.js?sv='); </script>  <script src="//www.googletagmanager.com/gtag/js?id=G-TJ18KZWFVE" data-cfasync="false" data-wpfc-render="false" type="text/javascript" async></script> <script data-cfasync="false" data-wpfc-render="false" type="text/javascript"> var mi_version = '9.2.0'; var mi_track_user = true; var mi_no_track_reason = ''; var MonsterInsightsDefaultLocations = {"page_location":"https:\/\/admin.acceleratingscience.com\/analyteguru\/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges\/"}; if ( typeof MonsterInsightsPrivacyGuardFilter === 'function' ) { var MonsterInsightsLocations = (typeof MonsterInsightsExcludeQuery === 'object') ? MonsterInsightsPrivacyGuardFilter( MonsterInsightsExcludeQuery ) : MonsterInsightsPrivacyGuardFilter( MonsterInsightsDefaultLocations ); } else { var MonsterInsightsLocations = (typeof MonsterInsightsExcludeQuery === 'object') ? MonsterInsightsExcludeQuery : MonsterInsightsDefaultLocations; } var disableStrs = [ 'ga-disable-G-TJ18KZWFVE', ]; /* Function to detect opted out users */ function __gtagTrackerIsOptedOut() { for (var index = 0; index < disableStrs.length; index++) { if (document.cookie.indexOf(disableStrs[index] + '=true') > -1) { return true; } } return false; } /* Disable tracking if the opt-out cookie exists. */ if (__gtagTrackerIsOptedOut()) { for (var index = 0; index < disableStrs.length; index++) { window[disableStrs[index]] = true; } } /* Opt-out function */ function __gtagTrackerOptout() { for (var index = 0; index < disableStrs.length; index++) { document.cookie = disableStrs[index] + '=true; expires=Thu, 31 Dec 2099 23:59:59 UTC; path=/'; window[disableStrs[index]] = true; } } if ('undefined' === typeof gaOptout) { function gaOptout() { __gtagTrackerOptout(); } } window.dataLayer = window.dataLayer || []; window.MonsterInsightsDualTracker = { helpers: {}, trackers: {}, }; if (mi_track_user) { function __gtagDataLayer() { dataLayer.push(arguments); } function __gtagTracker(type, name, parameters) { if (!parameters) { parameters = {}; } if (parameters.send_to) { __gtagDataLayer.apply(null, arguments); return; } if (type === 'event') { parameters.send_to = monsterinsights_frontend.v4_id; var hookName = name; if (typeof parameters['event_category'] !== 'undefined') { hookName = parameters['event_category'] + ':' + name; } if (typeof MonsterInsightsDualTracker.trackers[hookName] !== 'undefined') { MonsterInsightsDualTracker.trackers[hookName](parameters); } else { __gtagDataLayer('event', name, parameters); } } else { __gtagDataLayer.apply(null, arguments); } } __gtagTracker('js', new Date()); __gtagTracker('set', { 'developer_id.dZGIzZG': true, }); if ( MonsterInsightsLocations.page_location ) { __gtagTracker('set', MonsterInsightsLocations); } __gtagTracker('config', 'G-TJ18KZWFVE', {"use_amp_client_id":"true","forceSSL":"true","link_attribution":"true"} ); window.gtag = __gtagTracker; (function () { /* https://developers.google.com/analytics/devguides/collection/analyticsjs/ */ /* ga and __gaTracker compatibility shim. */ var noopfn = function () { return null; }; var newtracker = function () { return new Tracker(); }; var Tracker = function () { return null; }; var p = Tracker.prototype; p.get = noopfn; p.set = noopfn; p.send = function () { var args = Array.prototype.slice.call(arguments); args.unshift('send'); __gaTracker.apply(null, args); }; var __gaTracker = function () { var len = arguments.length; if (len === 0) { return; } var f = arguments[len - 1]; if (typeof f !== 'object' || f === null || typeof f.hitCallback !== 'function') { if ('send' === arguments[0]) { var hitConverted, hitObject = false, action; if ('event' === arguments[1]) { if ('undefined' !== typeof arguments[3]) { hitObject = { 'eventAction': arguments[3], 'eventCategory': arguments[2], 'eventLabel': arguments[4], 'value': arguments[5] ? arguments[5] : 1, } } } if ('pageview' === arguments[1]) { if ('undefined' !== typeof arguments[2]) { hitObject = { 'eventAction': 'page_view', 'page_path': arguments[2], } } } if (typeof arguments[2] === 'object') { hitObject = arguments[2]; } if (typeof arguments[5] === 'object') { Object.assign(hitObject, arguments[5]); } if ('undefined' !== typeof arguments[1].hitType) { hitObject = arguments[1]; if ('pageview' === hitObject.hitType) { hitObject.eventAction = 'page_view'; } } if (hitObject) { action = 'timing' === arguments[1].hitType ? 'timing_complete' : hitObject.eventAction; hitConverted = mapArgs(hitObject); __gtagTracker('event', action, hitConverted); } } return; } function mapArgs(args) { var arg, hit = {}; var gaMap = { 'eventCategory': 'event_category', 'eventAction': 'event_action', 'eventLabel': 'event_label', 'eventValue': 'event_value', 'nonInteraction': 'non_interaction', 'timingCategory': 'event_category', 'timingVar': 'name', 'timingValue': 'value', 'timingLabel': 'event_label', 'page': 'page_path', 'location': 'page_location', 'title': 'page_title', 'referrer' : 'page_referrer', }; for (arg in args) { if (!(!args.hasOwnProperty(arg) || !gaMap.hasOwnProperty(arg))) { hit[gaMap[arg]] = args[arg]; } else { hit[arg] = args[arg]; } } return hit; } try { f.hitCallback(); } catch (ex) { } }; __gaTracker.create = newtracker; __gaTracker.getByName = newtracker; __gaTracker.getAll = function () { return []; }; __gaTracker.remove = noopfn; __gaTracker.loaded = true; window['__gaTracker'] = __gaTracker; })(); } else { console.log(""); (function () { function __gtagTracker() { return null; } window['__gtagTracker'] = __gtagTracker; window['gtag'] = __gtagTracker; })(); } </script>  <link rel='stylesheet' id='accelerating-science-blogs-css' href='https://www.thermofisher.com/blog/analyteguru/wp-content/themes/accelerating-science-multilingual-blogs/style.css?ver=1.2.9.3' type='text/css' media='all' /> <link rel='stylesheet' id='wp-block-library-css' href='https://www.thermofisher.com/blog//wp-includes/css/dist/block-library/style.min.css?ver=6.6.1' type='text/css' media='all' /> <style id='classic-theme-styles-inline-css' type='text/css'> /*! This file is auto-generated */ .wp-block-button__link{color:#fff;background-color:#32373c;border-radius:9999px;box-shadow:none;text-decoration:none;padding:calc(.667em + 2px) calc(1.333em + 2px);font-size:1.125em}.wp-block-file__button{background:#32373c;color:#fff;text-decoration:none} </style> <style id='global-styles-inline-css' type='text/css'> :root{--wp--preset--aspect-ratio--square: 1;--wp--preset--aspect-ratio--4-3: 4/3;--wp--preset--aspect-ratio--3-4: 3/4;--wp--preset--aspect-ratio--3-2: 3/2;--wp--preset--aspect-ratio--2-3: 2/3;--wp--preset--aspect-ratio--16-9: 16/9;--wp--preset--aspect-ratio--9-16: 9/16;--wp--preset--color--black: #000000;--wp--preset--color--cyan-bluish-gray: #abb8c3;--wp--preset--color--white: #ffffff;--wp--preset--color--pale-pink: #f78da7;--wp--preset--color--vivid-red: #cf2e2e;--wp--preset--color--luminous-vivid-orange: #ff6900;--wp--preset--color--luminous-vivid-amber: #fcb900;--wp--preset--color--light-green-cyan: #7bdcb5;--wp--preset--color--vivid-green-cyan: #00d084;--wp--preset--color--pale-cyan-blue: #8ed1fc;--wp--preset--color--vivid-cyan-blue: #0693e3;--wp--preset--color--vivid-purple: #9b51e0;--wp--preset--gradient--vivid-cyan-blue-to-vivid-purple: linear-gradient(135deg,rgba(6,147,227,1) 0%,rgb(155,81,224) 100%);--wp--preset--gradient--light-green-cyan-to-vivid-green-cyan: linear-gradient(135deg,rgb(122,220,180) 0%,rgb(0,208,130) 100%);--wp--preset--gradient--luminous-vivid-amber-to-luminous-vivid-orange: linear-gradient(135deg,rgba(252,185,0,1) 0%,rgba(255,105,0,1) 100%);--wp--preset--gradient--luminous-vivid-orange-to-vivid-red: linear-gradient(135deg,rgba(255,105,0,1) 0%,rgb(207,46,46) 100%);--wp--preset--gradient--very-light-gray-to-cyan-bluish-gray: linear-gradient(135deg,rgb(238,238,238) 0%,rgb(169,184,195) 100%);--wp--preset--gradient--cool-to-warm-spectrum: linear-gradient(135deg,rgb(74,234,220) 0%,rgb(151,120,209) 20%,rgb(207,42,186) 40%,rgb(238,44,130) 60%,rgb(251,105,98) 80%,rgb(254,248,76) 100%);--wp--preset--gradient--blush-light-purple: linear-gradient(135deg,rgb(255,206,236) 0%,rgb(152,150,240) 100%);--wp--preset--gradient--blush-bordeaux: linear-gradient(135deg,rgb(254,205,165) 0%,rgb(254,45,45) 50%,rgb(107,0,62) 100%);--wp--preset--gradient--luminous-dusk: linear-gradient(135deg,rgb(255,203,112) 0%,rgb(199,81,192) 50%,rgb(65,88,208) 100%);--wp--preset--gradient--pale-ocean: linear-gradient(135deg,rgb(255,245,203) 0%,rgb(182,227,212) 50%,rgb(51,167,181) 100%);--wp--preset--gradient--electric-grass: linear-gradient(135deg,rgb(202,248,128) 0%,rgb(113,206,126) 100%);--wp--preset--gradient--midnight: linear-gradient(135deg,rgb(2,3,129) 0%,rgb(40,116,252) 100%);--wp--preset--font-size--small: 13px;--wp--preset--font-size--medium: 20px;--wp--preset--font-size--large: 36px;--wp--preset--font-size--x-large: 42px;--wp--preset--spacing--20: 0.44rem;--wp--preset--spacing--30: 0.67rem;--wp--preset--spacing--40: 1rem;--wp--preset--spacing--50: 1.5rem;--wp--preset--spacing--60: 2.25rem;--wp--preset--spacing--70: 3.38rem;--wp--preset--spacing--80: 5.06rem;--wp--preset--shadow--natural: 6px 6px 9px rgba(0, 0, 0, 0.2);--wp--preset--shadow--deep: 12px 12px 50px rgba(0, 0, 0, 0.4);--wp--preset--shadow--sharp: 6px 6px 0px rgba(0, 0, 0, 0.2);--wp--preset--shadow--outlined: 6px 6px 0px -3px rgba(255, 255, 255, 1), 6px 6px rgba(0, 0, 0, 1);--wp--preset--shadow--crisp: 6px 6px 0px rgba(0, 0, 0, 1);}:where(.is-layout-flex){gap: 0.5em;}:where(.is-layout-grid){gap: 0.5em;}body .is-layout-flex{display: flex;}.is-layout-flex{flex-wrap: wrap;align-items: center;}.is-layout-flex > :is(*, div){margin: 0;}body .is-layout-grid{display: grid;}.is-layout-grid > :is(*, div){margin: 0;}:where(.wp-block-columns.is-layout-flex){gap: 2em;}:where(.wp-block-columns.is-layout-grid){gap: 2em;}:where(.wp-block-post-template.is-layout-flex){gap: 1.25em;}:where(.wp-block-post-template.is-layout-grid){gap: 1.25em;}.has-black-color{color: var(--wp--preset--color--black) !important;}.has-cyan-bluish-gray-color{color: var(--wp--preset--color--cyan-bluish-gray) !important;}.has-white-color{color: var(--wp--preset--color--white) !important;}.has-pale-pink-color{color: var(--wp--preset--color--pale-pink) !important;}.has-vivid-red-color{color: var(--wp--preset--color--vivid-red) !important;}.has-luminous-vivid-orange-color{color: var(--wp--preset--color--luminous-vivid-orange) !important;}.has-luminous-vivid-amber-color{color: var(--wp--preset--color--luminous-vivid-amber) !important;}.has-light-green-cyan-color{color: var(--wp--preset--color--light-green-cyan) !important;}.has-vivid-green-cyan-color{color: var(--wp--preset--color--vivid-green-cyan) !important;}.has-pale-cyan-blue-color{color: var(--wp--preset--color--pale-cyan-blue) !important;}.has-vivid-cyan-blue-color{color: var(--wp--preset--color--vivid-cyan-blue) !important;}.has-vivid-purple-color{color: var(--wp--preset--color--vivid-purple) !important;}.has-black-background-color{background-color: var(--wp--preset--color--black) !important;}.has-cyan-bluish-gray-background-color{background-color: var(--wp--preset--color--cyan-bluish-gray) !important;}.has-white-background-color{background-color: var(--wp--preset--color--white) !important;}.has-pale-pink-background-color{background-color: var(--wp--preset--color--pale-pink) !important;}.has-vivid-red-background-color{background-color: var(--wp--preset--color--vivid-red) !important;}.has-luminous-vivid-orange-background-color{background-color: var(--wp--preset--color--luminous-vivid-orange) !important;}.has-luminous-vivid-amber-background-color{background-color: var(--wp--preset--color--luminous-vivid-amber) !important;}.has-light-green-cyan-background-color{background-color: var(--wp--preset--color--light-green-cyan) !important;}.has-vivid-green-cyan-background-color{background-color: var(--wp--preset--color--vivid-green-cyan) !important;}.has-pale-cyan-blue-background-color{background-color: var(--wp--preset--color--pale-cyan-blue) !important;}.has-vivid-cyan-blue-background-color{background-color: var(--wp--preset--color--vivid-cyan-blue) !important;}.has-vivid-purple-background-color{background-color: var(--wp--preset--color--vivid-purple) !important;}.has-black-border-color{border-color: var(--wp--preset--color--black) !important;}.has-cyan-bluish-gray-border-color{border-color: var(--wp--preset--color--cyan-bluish-gray) !important;}.has-white-border-color{border-color: var(--wp--preset--color--white) !important;}.has-pale-pink-border-color{border-color: var(--wp--preset--color--pale-pink) !important;}.has-vivid-red-border-color{border-color: var(--wp--preset--color--vivid-red) !important;}.has-luminous-vivid-orange-border-color{border-color: var(--wp--preset--color--luminous-vivid-orange) !important;}.has-luminous-vivid-amber-border-color{border-color: var(--wp--preset--color--luminous-vivid-amber) !important;}.has-light-green-cyan-border-color{border-color: var(--wp--preset--color--light-green-cyan) !important;}.has-vivid-green-cyan-border-color{border-color: var(--wp--preset--color--vivid-green-cyan) !important;}.has-pale-cyan-blue-border-color{border-color: var(--wp--preset--color--pale-cyan-blue) !important;}.has-vivid-cyan-blue-border-color{border-color: var(--wp--preset--color--vivid-cyan-blue) !important;}.has-vivid-purple-border-color{border-color: var(--wp--preset--color--vivid-purple) !important;}.has-vivid-cyan-blue-to-vivid-purple-gradient-background{background: var(--wp--preset--gradient--vivid-cyan-blue-to-vivid-purple) !important;}.has-light-green-cyan-to-vivid-green-cyan-gradient-background{background: var(--wp--preset--gradient--light-green-cyan-to-vivid-green-cyan) !important;}.has-luminous-vivid-amber-to-luminous-vivid-orange-gradient-background{background: var(--wp--preset--gradient--luminous-vivid-amber-to-luminous-vivid-orange) !important;}.has-luminous-vivid-orange-to-vivid-red-gradient-background{background: var(--wp--preset--gradient--luminous-vivid-orange-to-vivid-red) !important;}.has-very-light-gray-to-cyan-bluish-gray-gradient-background{background: var(--wp--preset--gradient--very-light-gray-to-cyan-bluish-gray) !important;}.has-cool-to-warm-spectrum-gradient-background{background: var(--wp--preset--gradient--cool-to-warm-spectrum) !important;}.has-blush-light-purple-gradient-background{background: var(--wp--preset--gradient--blush-light-purple) !important;}.has-blush-bordeaux-gradient-background{background: var(--wp--preset--gradient--blush-bordeaux) !important;}.has-luminous-dusk-gradient-background{background: var(--wp--preset--gradient--luminous-dusk) !important;}.has-pale-ocean-gradient-background{background: var(--wp--preset--gradient--pale-ocean) !important;}.has-electric-grass-gradient-background{background: var(--wp--preset--gradient--electric-grass) !important;}.has-midnight-gradient-background{background: var(--wp--preset--gradient--midnight) !important;}.has-small-font-size{font-size: var(--wp--preset--font-size--small) !important;}.has-medium-font-size{font-size: var(--wp--preset--font-size--medium) !important;}.has-large-font-size{font-size: var(--wp--preset--font-size--large) !important;}.has-x-large-font-size{font-size: var(--wp--preset--font-size--x-large) !important;} :where(.wp-block-post-template.is-layout-flex){gap: 1.25em;}:where(.wp-block-post-template.is-layout-grid){gap: 1.25em;} :where(.wp-block-columns.is-layout-flex){gap: 2em;}:where(.wp-block-columns.is-layout-grid){gap: 2em;} :root :where(.wp-block-pullquote){font-size: 1.5em;line-height: 1.6;} </style> <link rel='stylesheet' id='gforms_reset_css-css' href='https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/gravityforms/legacy/css/formreset.min.css?ver=2.8.17' type='text/css' media='all' /> <link rel='stylesheet' id='gforms_formsmain_css-css' href='https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/gravityforms/legacy/css/formsmain.min.css?ver=2.8.17' type='text/css' media='all' /> <link rel='stylesheet' id='gforms_ready_class_css-css' href='https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/gravityforms/legacy/css/readyclass.min.css?ver=2.8.17' type='text/css' media='all' /> <link rel='stylesheet' id='gforms_browsers_css-css' href='https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/gravityforms/legacy/css/browsers.min.css?ver=2.8.17' type='text/css' media='all' /> <link rel='stylesheet' id='globals-css' href='https://www.thermofisher.com/blog/analyteguru/wp-content/themes/accelerating-science-multilingual-blogs/global-style.css?ver=1.2.9.3' type='text/css' media='all' /> <link rel='stylesheet' id='brightcove-pip-css-css' href='https://players.brightcove.net/videojs-pip/1/videojs-pip.css?ver=2.8.7' type='text/css' media='all' /> <link rel='stylesheet' id='brightcove-playlist-css' href='https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/brightcove-video-connect/assets/css/brightcove_playlist.min.css?ver=2.8.7' type='text/css' media='all' /> <link rel='stylesheet' id='bfa-font-awesome-css' href='https://use.fontawesome.com/releases/v5.15.4/css/all.css?ver=2.0.3' type='text/css' media='all' /> <script type="text/javascript" src="https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/google-analytics-premium/assets/js/frontend-gtag.min.js?ver=9.2.0" id="monsterinsights-frontend-script-js" async="async" data-wp-strategy="async"></script> <script data-cfasync="false" data-wpfc-render="false" type="text/javascript" id='monsterinsights-frontend-script-js-extra'>/* <![CDATA[ */ var monsterinsights_frontend = {"js_events_tracking":"true","download_extensions":"doc,pdf,ppt,zip,xls,docx,pptx,xlsx","inbound_paths":"[{\"path\":\"\\\/go\\\/\",\"label\":\"affiliate\"},{\"path\":\"\\\/recommend\\\/\",\"label\":\"affiliate\"}]","home_url":"https:\/\/admin.acceleratingscience.com\/analyteguru","hash_tracking":"false","v4_id":"G-TJ18KZWFVE"};/* ]]> */ </script> <script type="text/javascript" src="https://www.thermofisher.com/blog//wp-includes/js/jquery/jquery.min.js?ver=3.7.1" id="jquery-core-js"></script> <script type="text/javascript" src="https://www.thermofisher.com/blog//wp-includes/js/jquery/jquery-migrate.min.js?ver=3.4.1" id="jquery-migrate-js"></script> <script type="text/javascript" src="https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/mashshare-google-analytics/assets/js/mashga.min.js?ver=1.0.9" id="mashga-js"></script> <script type="text/javascript" src="https://www.thermofisher.com/blog//wp-includes/js/underscore.min.js?ver=1.13.4" id="underscore-js"></script> <script type="text/javascript" src="https://www.thermofisher.com/blog//wp-includes/js/backbone.min.js?ver=1.5.0" id="backbone-js"></script> <script type="text/javascript" id="wp-api-js-js-extra"> /* <![CDATA[ */ var WP_API_Settings = {"root":"https:\/\/admin.acceleratingscience.com\/analyteguru","nonce":"8e838958fa"}; /* ]]> */ </script> <script type="text/javascript" src="https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/wp-search-live/public/assets/js/util--wp-api.js?ver=0.9" id="wp-api-js-js"></script> <script type="text/javascript" defer='defer' src="https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/gravityforms/js/jquery.json.min.js?ver=2.8.17" id="gform_json-js"></script> <script type="text/javascript" id="gform_gravityforms-js-extra"> /* <![CDATA[ */ var gf_global = {"gf_currency_config":{"name":"U.S. Dollar","symbol_left":"$","symbol_right":"","symbol_padding":"","thousand_separator":",","decimal_separator":".","decimals":2,"code":"USD"},"base_url":"https:\/\/admin.acceleratingscience.com\/analyteguru\/wp-content\/plugins\/gravityforms","number_formats":[],"spinnerUrl":"https:\/\/admin.acceleratingscience.com\/analyteguru\/wp-content\/plugins\/gravityforms\/images\/spinner.svg","version_hash":"4a792b070322e711c2521ee9802c04ea","strings":{"newRowAdded":"New row added.","rowRemoved":"Row removed","formSaved":"The form has been saved. The content contains the link to return and complete the form."}}; var gf_global = {"gf_currency_config":{"name":"U.S. Dollar","symbol_left":"$","symbol_right":"","symbol_padding":"","thousand_separator":",","decimal_separator":".","decimals":2,"code":"USD"},"base_url":"https:\/\/admin.acceleratingscience.com\/analyteguru\/wp-content\/plugins\/gravityforms","number_formats":[],"spinnerUrl":"https:\/\/admin.acceleratingscience.com\/analyteguru\/wp-content\/plugins\/gravityforms\/images\/spinner.svg","version_hash":"4a792b070322e711c2521ee9802c04ea","strings":{"newRowAdded":"New row added.","rowRemoved":"Row removed","formSaved":"The form has been saved. The content contains the link to return and complete the form."}}; var gform_i18n = {"datepicker":{"days":{"monday":"Mo","tuesday":"Tu","wednesday":"We","thursday":"Th","friday":"Fr","saturday":"Sa","sunday":"Su"},"months":{"january":"January","february":"February","march":"March","april":"April","may":"May","june":"June","july":"July","august":"August","september":"September","october":"October","november":"November","december":"December"},"firstDay":1,"iconText":"Select date"}}; var gf_legacy_multi = {"1":"1","2":"1"}; var gform_gravityforms = {"strings":{"invalid_file_extension":"This type of file is not allowed. Must be one of the following:","delete_file":"Delete this file","in_progress":"in progress","file_exceeds_limit":"File exceeds size limit","illegal_extension":"This type of file is not allowed.","max_reached":"Maximum number of files reached","unknown_error":"There was a problem while saving the file on the server","currently_uploading":"Please wait for the uploading to complete","cancel":"Cancel","cancel_upload":"Cancel this upload","cancelled":"Cancelled"},"vars":{"images_url":"https:\/\/admin.acceleratingscience.com\/analyteguru\/wp-content\/plugins\/gravityforms\/images"}}; /* ]]> */ </script> <script type="text/javascript" id="gform_gravityforms-js-before"> /* <![CDATA[ */ var gform;gform||(document.addEventListener("gform_main_scripts_loaded",function(){gform.scriptsLoaded=!0}),window.addEventListener("DOMContentLoaded",function(){gform.domLoaded=!0}),gform={domLoaded:!1,scriptsLoaded:!1,initializeOnLoaded:function(o){gform.domLoaded&&gform.scriptsLoaded?o():!gform.domLoaded&&gform.scriptsLoaded?window.addEventListener("DOMContentLoaded",o):document.addEventListener("gform_main_scripts_loaded",o)},hooks:{action:{},filter:{}},addAction:function(o,n,r,t){gform.addHook("action",o,n,r,t)},addFilter:function(o,n,r,t){gform.addHook("filter",o,n,r,t)},doAction:function(o){gform.doHook("action",o,arguments)},applyFilters:function(o){return gform.doHook("filter",o,arguments)},removeAction:function(o,n){gform.removeHook("action",o,n)},removeFilter:function(o,n,r){gform.removeHook("filter",o,n,r)},addHook:function(o,n,r,t,i){null==gform.hooks[o][n]&&(gform.hooks[o][n]=[]);var e=gform.hooks[o][n];null==i&&(i=n+"_"+e.length),gform.hooks[o][n].push({tag:i,callable:r,priority:t=null==t?10:t})},doHook:function(n,o,r){var t;if(r=Array.prototype.slice.call(r,1),null!=gform.hooks[n][o]&&((o=gform.hooks[n][o]).sort(function(o,n){return o.priority-n.priority}),o.forEach(function(o){"function"!=typeof(t=o.callable)&&(t=window[t]),"action"==n?t.apply(null,r):r[0]=t.apply(null,r)})),"filter"==n)return r[0]},removeHook:function(o,n,t,i){var r;null!=gform.hooks[o][n]&&(r=(r=gform.hooks[o][n]).filter(function(o,n,r){return!!(null!=i&&i!=o.tag||null!=t&&t!=o.priority)}),gform.hooks[o][n]=r)}}); /* ]]> */ </script> <script type="text/javascript" defer='defer' src="https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/gravityforms/js/gravityforms.min.js?ver=2.8.17" id="gform_gravityforms-js"></script> <script type="text/javascript" defer='defer' src="https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/gravityforms/js/chosen.jquery.min.js?ver=2.8.17" id="gform_chosen-js"></script> <script type="text/javascript" defer='defer' src="https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/gravityforms/assets/js/dist/utils.min.js?ver=50c7bea9c2320e16728e44ae9fde5f26" id="gform_gravityforms_utils-js"></script> <script type="text/javascript" src="https://www.thermofisher.com/blog/analyteguru/wp-content/themes/accelerating-science-multilingual-blogs/js/single-scripts.js?ver=1.2.9.3" id="single-scripts-js"></script> <link rel="https://api.w.org/" href="https://www.thermofisher.com/blog/analyteguru/wp-json/" /><link rel="alternate" title="JSON" type="application/json" href="https://www.thermofisher.com/blog/analyteguru/wp-json/wp/v2/posts/17396" /><link rel="EditURI" type="application/rsd+xml" title="RSD" href="https://www.thermofisher.com/blog/xmlrpc.php?rsd" /> <link rel='shortlink' href='https://www.thermofisher.com/blog/analyteguru/?p=17396' /> <link rel="alternate" title="oEmbed (JSON)" type="application/json+oembed" href="https://www.thermofisher.com/blog/analyteguru/wp-json/oembed/1.0/embed?url=https%3A%2F%2Fwww.thermofisher.com%2Fblog%2Fanalyteguru%2Fadvanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges%2F" /> <link rel="alternate" title="oEmbed (XML)" type="text/xml+oembed" href="https://www.thermofisher.com/blog/analyteguru/wp-json/oembed/1.0/embed?url=https%3A%2F%2Fwww.thermofisher.com%2Fblog%2Fanalyteguru%2Fadvanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges%2F&format=xml" /> <meta property="ia:markup_url" content="https://www.thermofisher.com/blog/analyteguru/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges/?ia_markup=1" />  <link rel="icon" href="https://www.thermofisher.com/blog/analyteguru/wp-content/themes/accelerating-science-multilingual-blogs/images/favicon.ico" /> <script type="application/ld+json"> {"@context":"http:\/\/schema.org","@type":"BlogPosting","mainEntityofPage":{"@type":"WebPage","@id":"https:\/\/www.thermofisher.com\/blog\/analyteguru\/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges\/"},"headline":"Advanced LC-MS Tools and Software Solutions to Ease Your Metabolite Identification Challenges","datePublished":"03\/28\/2024","dateModified":"03\/28\/2024","publisher":{"@type":"Organization","name":"Thermo Fisher Scientific","URL":"https:\/\/www.thermofisher.com\/us\/en\/home.html","logo":{"@type":"ImageObject","url":"https:\/\/www.thermofisher.com\/content\/dam\/LifeTech\/Images\/Header\/logo-color.png"}},"image":{"@type":"ImageObject","url":"https:\/\/admin.acceleratingscience.com\/analyteguru\/wp-content\/uploads\/sites\/25\/2024\/03\/Metabolite-ID-2.jpg","width":1200,"height":668},"keywords":"Biopharmaceutical, LC-MS, Metabolite Identification, Pharmaceutical, ","author":{"@type":"Person","name":"AnalyteGuru Staff"}} </script> <script type="text/javascript" src="https://www.thermofisher.com/etc/designs/lifetech/clientlibs/digitaldata.js"></script> <script id="tagmanager" type="text/javascript" src='https://assets.adobedtm.com/launch-ENeecb77f1160a4928a492ff040f7110c7.min.js' defer="defer"></script> <script> (function($) { $(document).ready(function() { digitalData.setPageType('blog'); }) })(jQuery); </script> <script type="text/javascript" src="https://www.thermofisher.com/etc/designs/lifetech/clientlibs/digitaldata.js" defer="defer"></script> <script id="tagmanager" type="text/javascript" src='https://assets.adobedtm.com/launch-ENeecb77f1160a4928a492ff040f7110c7.min.js' defer="defer"></script> <script> (function($) { $(document).ready(function() { digitalData.setPageType('blog'); }) })(jQuery); </script> <style type="text/css" id="wp-custom-css"> .hero-banner { position: relative; } .hero-banner::before { content: ''; position: absolute; background: rgba(0,0,0,.3); top: 0; left: 0; right: 0; bottom: 0; } </style> </head> <body class="post-template-default single single-post postid-17396 single-format-standard header-image full-width-content genesis-breadcrumbs-hidden"><div class="site-container"><header class="site-header"><div class="wrap"><div class="title-area"><p class="site-title"><a href="https://www.thermofisher.com/" title="Thermo Fisher Scientific">Thermo Fisher Scientific</a></p><p class="site-description">Your educational resource for biopharma, pharma, environmental, food and agriculture, industrial, and clinical labs</p></div><div class="widget-area header-widget-area"><section id="nav_menu-2" class="widget widget_nav_menu"><div class="widget-wrap"><nav class="nav-header"><ul id="menu-main-menu" class="menu genesis-nav-menu"><li id="menu-item-13046" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-has-children menu-item-13046"><a><span >Categories</span></a> <ul class="sub-menu"> <li id="menu-item-13047" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13047"><a href="https://www.thermofisher.com/blog/materials/"><span >Advancing Materials</span></a></li> <li id="menu-item-13048" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13048"><a href="https://www.thermofisher.com/blog/mining/"><span >Advancing Mining</span></a></li> <li id="menu-item-13063" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13063"><a href="https://www.thermofisher.com/blog/analyteguru/"><span >AnalyteGuru</span></a></li> <li id="menu-item-13049" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13049"><a href="https://www.thermofisher.com/blog/metals/"><span >Analyzing Metals</span></a></li> <li id="menu-item-13050" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13050"><a href="https://www.thermofisher.com/blog/ask-a-scientist/"><span >Ask a Scientist</span></a></li> <li id="menu-item-13051" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13051"><a href="https://www.thermofisher.com/blog/behindthebench/"><span >Behind the Bench</span></a></li> <li id="menu-item-13052" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13052"><a href="https://www.thermofisher.com/blog/biotechnology/"><span >Biotech at Scale</span></a></li> <li id="menu-item-13053" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13053"><a href="https://www.thermofisher.com/blog/clinical-conversations/"><span >Clinical Conversations</span></a></li> <li id="menu-item-13054" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13054"><a href="https://www.thermofisher.com/blog/food/"><span >Examining Food</span></a></li> <li id="menu-item-13055" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13055"><a href="https://www.thermofisher.com/blog/identifying-threats/"><span >Identifying Threats</span></a></li> <li id="menu-item-13056" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13056"><a href="https://www.thermofisher.com/blog/semiconductors/"><span >Illuminating Semiconductors</span></a></li> <li id="menu-item-13057" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13057"><a href="https://www.thermofisher.com/blog/atomic-resolution/"><span >Life in Atomic Resolution</span></a></li> <li id="menu-item-13058" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13058"><a href="https://www.thermofisher.com/blog/life-in-the-lab/"><span >Life in the Lab</span></a></li> <li id="menu-item-13059" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13059"><a href="https://www.thermofisher.com/blog/oempowered/"><span >OEMpowered</span></a></li> <li id="menu-item-13060" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13060"><a href="https://www.thermofisher.com/blog/connectedlab/"><span >The Connected Lab</span></a></li> </ul> </li> <li id="menu-item-13061" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13061"><a href="https://www.thermofisher.com/blog/about-us/"><span >About Us</span></a></li> <li id="menu-item-13062" class="menu-item menu-item-type-custom menu-item-object-custom menu-item-13062"><a href="https://www.thermofisher.com/blog/contact-us/?site=analyteguru"><span >Contact</span></a></li> </ul></nav></div></section> </div><div class="breadcrumb"><span class="breadcrumb-link-wrap"><a href="https://www.thermofisher.com/blog/?">Accelerating Science</a></span><span class="breadcrumb-link-wrap"><a class="breadcrumb-link" href="https://www.thermofisher.com/blog/analyteguru/"><span class="breadcrumb-link-text-wrap">AnalyteGuru</span></a><meta ></span> <span aria-label="breadcrumb separator">/</span> <span class="breadcrumb-link-wrap"><a class="breadcrumb-link" href="https://www.thermofisher.com/blog/analyteguru/biopharmaceutical/"><span class="breadcrumb-link-text-wrap">Biopharmaceutical</span></a><meta ></span> <span aria-label="breadcrumb separator">/</span> <span class="breadcrumb-current-title">Advanced LC-MS Tools and Software Solutions to Ease Your Metabolite Identification Challenges</span></div></div></header><div class="site-inner"><div class="content-sidebar-wrap"><main class="content"><article class="post-17396 post type-post status-publish format-standard has-post-thumbnail category-biopharmaceutical category-pharmaceutical tag-biopharmaceutical tag-lc-ms tag-metabolite-identification tag-pharmaceutical entry" aria-label="Advanced LC-MS Tools and Software Solutions to Ease Your Metabolite Identification Challenges"><header class="entry-header"><h1 class="entry-title">Advanced LC-MS Tools and Software Solutions to Ease Your Metabolite Identification Challenges</h1> <span class="post-info-author"> By <a href="https://www.thermofisher.com/blog/analyteguru/tf-author/sven-hackbusch/" title="Posts by Sven Hackbusch | Sebastien Morin" rel="author">Sven Hackbusch | Sebastien Morin, Thermo Fisher Scientific</a> </span> <span class="post-info-date"> 03.28.2024 </span> </header><div class="entry-content"> <p><em>This is the second of a three-part series on Thermo Fisher Scientific analytical instrument solutions for metabolite identification in the small molecule DMPK drug development process. If you missed part one, catch up here: <a href="https://www.thermofisher.com/blog/analyteguru/speed-up-drug-development-process/" target="_blank" rel="noreferrer noopener">Speed up the drug development process …</a></em></p> <p>Metabolite identification (MetID) using LC-MS instrumentation from <em>in </em>vitro and <em>in vivo </em>studies is a critical part of the drug development process, but having improper tools to assess drug metabolism can lead to serious and costly implications during clinical phases and ꟷ in the worst case ꟷ rejection of an NDI. Fortunately, Thermo Fisher Scientific offers advanced tools to avoid pitfalls related to improper MetID assessment.</p> <figure class="wp-block-image size-large"><img decoding="async" width="1024" height="570" src="https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Metabolite-ID-2-1024x570.jpg" alt="" class="wp-image-17401" srcset="https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Metabolite-ID-2-1024x570.jpg 1024w, https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Metabolite-ID-2-300x167.jpg 300w, https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Metabolite-ID-2-768x428.jpg 768w, https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Metabolite-ID-2-450x250.jpg 450w, https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Metabolite-ID-2.jpg 1200w" sizes="(max-width: 1024px) 100vw, 1024px" /></figure> <h3 class="wp-block-heading" id="h-identifying-metabolites-in-challenging-matrices-shouldn-t-be-a-challenge"><strong>Identifying metabolites in challenging matrices shouldn’t be a challenge</strong></h3> <p>To determine the transformation site for metabolites typically requires fragmentation data, making it necessary to obtain fragmentation coverage of all metabolites. However, one of the main challenges in the profiling of drug metabolites is that complex background signals from matrix components can obscure low-level metabolites during data acquisition, making the untargeted fragmentation data acquisition difficult. In <a href="https://assets.thermofisher.com/TFS-Assets/CMD/Reference-Materials/wp-002154-lsms-orbitrap-iqx-dia-wp002154-na-en.pdf" target="_blank" rel="noreferrer noopener">this whitepaper</a>, Hackbusch <em>et al.</em> discuss the benefits of using advanced acquisition strategies to exclude unwanted background information and ultimately simplify the data analysis.</p> <p>Additionally, routine metabolite identification work typically relies on collisional dissociation (HCD or CID) to generate diagnostic fragments. However, in some instances the determination of transformation sites can be challenged if only non-specific fragments are generated. Orthogonal fragmentation modes such as ultraviolet photo dissociation (UVPD) can allows for deeper insight. As an example of this benefit, Figure 1 shows the use of UVPD fragments to determine the localization of an acyl-glucoronide bond for a metabolite of diclofenac, which wasn’t possible from HCD fragmentation data.</p> <p>Read the complete whitepaper on <a href="https://assets.thermofisher.com/TFS-Assets/CMD/Reference-Materials/wp-002154-lsms-orbitrap-iqx-dia-wp002154-na-en.pdf" target="_blank" rel="noreferrer noopener">drug metabolite identification</a> and discover our metabolite identification solutions on the <a href="https://www.thermofisher.com/us/en/home/industrial/pharma-biopharma/pre-clinical-and-clinical-drug-testing/metabolite-identification.html" target="_blank" rel="noreferrer noopener">Thermo Fisher Scientific website.</a></p> <figure class="wp-block-image size-full is-resized"><img decoding="async" width="775" height="377" src="https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Figure-1-Chroma-and-elemental-video.png" alt="Figure 1: Comparison of the HCD spectrum" class="wp-image-17398" style="width:833px;height:auto" srcset="https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Figure-1-Chroma-and-elemental-video.png 775w, https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Figure-1-Chroma-and-elemental-video-300x146.png 300w, https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/03/Figure-1-Chroma-and-elemental-video-768x374.png 768w" sizes="(max-width: 775px) 100vw, 775px" /><figcaption class="wp-element-caption"><em>Figure 1. Comparison of the HCD spectrum of diclofenac (top) with the HCD spectrum for its glucuronate metabolite (middle), showing no additional fragments to permit confirmation of the glucuronide position, and the UVPD spectrum (bottom), which allowed the determination of the acyl-glucuronide bond based on the assigned fragment structure for the unique ion at m/z 327.</em> </figcaption></figure> <h3 class="wp-block-heading" id="h-related-information"><strong>Related information</strong></h3> <p>Blog Part 1 of 3: <a href="https://www.thermofisher.com/blog/analyteguru/speed-up-drug-development-process/" target="_blank" rel="noreferrer noopener">Speed up Drug Development Process With Fit-for-Purpose Metabolite Identification Solutions</a><br>Blog Part 3 of 3: <a href="https://www.thermofisher.com/blog/analyteguru/leveraging-lc-ms-for-accurate-metabolite-identification-metid-in-drug-development/" target="_blank" rel="noreferrer noopener">Leveraging LC-MS for Accurate Metabolite Identification (MetID) in Drug Discovery & Development</a><br>Blog: <a href="https://www.thermofisher.com/blog/analyteguru/metabolite-identification-solutions-showcased-at-great-lakes-dmdg-2024-meeting/" target="_blank" rel="noreferrer noopener">Metabolite Identification Solutions Showcased at Great Lakes DMDG 2024 Meeting</a><br><br>You can also find out more about Thermo Fisher Scientific’s cutting edge analytical instruments and software solutions to streamline and speed up any drug development processes in our <a href="https://www.thermofisher.com/us/en/home/industrial/pharma-biopharma/pharma-biopharma-learning-center.html">Pharma & Biopharma Learning Center.</a> </p> <p>On LinkedIn? Visit our <a href="https://www.linkedin.com/showcase/chromatography-&-mass-spectrometry/posts/?feedView=all" target="_blank" rel="noreferrer noopener">LinkedIn page</a> #pharmaceutical #biopharmaceutical #MetID #CMD</p> <p></p> </div></article><section class="author-box"><h4 class="author-box-title">Sven Hackbusch | Sebastien Morin</h4><div class="author-box-content" itemprop="description">Sven Hackbusch is a Senior Application Scientist at Thermo Fisher Scientific, responsible for the development of LC/MS applications related to the identification and structural elucidation of unknown compounds in collaboration with customers in the Pharma/Biopharma markets. | Sebastien Morin is a Business Development Manager for the Pharma and Biopharma market at Thermo Fisher Scientific, having spent several years in both industry, and sales and marketing. Sebastien has a particular interest in small molecules drug discovery, having worked several years as a medicinal chemist prior to joining Thermo Fisher.</div></section><div class="adjacent-entry-pagination pagination"><div class="pagination-previous alignleft"><i class="fa fa-icon fa-chevron-left"></i> <a href="https://www.thermofisher.com/blog/analyteguru/unveiling-hidden-impurities-lc-hrms-for-biopharmaceutical-analysis/" rel="prev">Unveiling Hidden Impurities: LC-HRMS for Biopharmaceutical Analysis</a></div><div class="pagination-next alignright"><a href="https://www.thermofisher.com/blog/analyteguru/what-are-dioxins-and-pcbs-and-what-type-of-gc-ms-should-you-use-to-analyze-them/" rel="next">What are Dioxins and PCBs, and What Type of GC-MS Should You Use to Analyze Them?</a> <i class="fa fa-icon fa-chevron-right"></i></div></div></main></div></div><footer class="site-footer"><div class="wrap"><div class="creds"><p class="footer-links"><a href="https://corporate.thermofisher.com/en/footer/privacy-statement.html" target="_blank" rel="noopener noreferrer">Privacy Statement</a><a href="https://corporate.thermofisher.com/en/footer/terms-and-conditions.html" target="_blank" rel="noopener noreferrer">Terms & Conditions</a><a href="/blog/locations/">Locations</a><a href="/blog/sitemap/">Sitemap</a></p><p>© 2024 <a href="https://www.thermofisher.com">Thermo Fisher Scientific</a>. All Rights Reserved.</p></div><p></p><span class="social-links"><p>Talk to us</p><a href="https://www.facebook.com/ChromatographySolutions" class="facebook" target="_blank" rel="noopener noreferrer"><i class="fa fa-icon fa-facebook"></i></a><a href="https://www.linkedin.com/showcase/chromatography-&-mass-spectrometry/" class="linkedin" target="_blank" rel="noopener noreferrer"><i class="fa fa-icon fa-linkedin"></i></a><a href="https://twitter.com/ChromSolutions" class="twitter" target="_blank" rel="noopener noreferrer"><i class="fa fa-icon fa-twitter"></i></a><a href="https://www.youtube.com/c/thermoscientific" class="youtube" target="_blank" rel="noopener noreferrer"><i class="fa fa-icon fa-youtube"></i></a></span></div></footer></div>  <script type="text/html" id="wpls--tmpl"> <li class="search-result"> <a href="<%= post.link %>"> <div class="wpls--item-title-wrap"> <h4 class="wpls--item-title"><%= post.title %></h4> </div> </a> </li> </script> <script type="text/javascript"> /* MonsterInsights Scroll Tracking */ if ( typeof(jQuery) !== 'undefined' ) { jQuery( document ).ready(function(){ function monsterinsights_scroll_tracking_load() { if ( ( typeof(__gaTracker) !== 'undefined' && __gaTracker && __gaTracker.hasOwnProperty( "loaded" ) && __gaTracker.loaded == true ) || ( typeof(__gtagTracker) !== 'undefined' && __gtagTracker ) ) { (function(factory) { factory(jQuery); }(function($) { /* Scroll Depth */ "use strict"; var defaults = { percentage: true }; var $window = $(window), cache = [], scrollEventBound = false, lastPixelDepth = 0; /* * Plugin */ $.scrollDepth = function(options) { var startTime = +new Date(); options = $.extend({}, defaults, options); /* * Functions */ function sendEvent(action, label, scrollDistance, timing) { if ( 'undefined' === typeof MonsterInsightsObject || 'undefined' === typeof MonsterInsightsObject.sendEvent ) { return; } var paramName = action.toLowerCase(); var fieldsArray = { send_to: 'G-TJ18KZWFVE', non_interaction: true }; fieldsArray[paramName] = label; if (arguments.length > 3) { fieldsArray.scroll_timing = timing MonsterInsightsObject.sendEvent('event', 'scroll_depth', fieldsArray); } else { MonsterInsightsObject.sendEvent('event', 'scroll_depth', fieldsArray); } } function calculateMarks(docHeight) { return { '25%' : parseInt(docHeight * 0.25, 10), '50%' : parseInt(docHeight * 0.50, 10), '75%' : parseInt(docHeight * 0.75, 10), /* Cushion to trigger 100% event in iOS */ '100%': docHeight - 5 }; } function checkMarks(marks, scrollDistance, timing) { /* Check each active mark */ $.each(marks, function(key, val) { if ( $.inArray(key, cache) === -1 && scrollDistance >= val ) { sendEvent('Percentage', key, scrollDistance, timing); cache.push(key); } }); } function rounded(scrollDistance) { /* Returns String */ return (Math.floor(scrollDistance/250) * 250).toString(); } function init() { bindScrollDepth(); } /* * Public Methods */ /* Reset Scroll Depth with the originally initialized options */ $.scrollDepth.reset = function() { cache = []; lastPixelDepth = 0; $window.off('scroll.scrollDepth'); bindScrollDepth(); }; /* Add DOM elements to be tracked */ $.scrollDepth.addElements = function(elems) { if (typeof elems == "undefined" || !$.isArray(elems)) { return; } $.merge(options.elements, elems); /* If scroll event has been unbound from window, rebind */ if (!scrollEventBound) { bindScrollDepth(); } }; /* Remove DOM elements currently tracked */ $.scrollDepth.removeElements = function(elems) { if (typeof elems == "undefined" || !$.isArray(elems)) { return; } $.each(elems, function(index, elem) { var inElementsArray = $.inArray(elem, options.elements); var inCacheArray = $.inArray(elem, cache); if (inElementsArray != -1) { options.elements.splice(inElementsArray, 1); } if (inCacheArray != -1) { cache.splice(inCacheArray, 1); } }); }; /* * Throttle function borrowed from: * Underscore.js 1.5.2 * http://underscorejs.org * (c) 2009-2013 Jeremy Ashkenas, DocumentCloud and Investigative Reporters & Editors * Underscore may be freely distributed under the MIT license. */ function throttle(func, wait) { var context, args, result; var timeout = null; var previous = 0; var later = function() { previous = new Date; timeout = null; result = func.apply(context, args); }; return function() { var now = new Date; if (!previous) previous = now; var remaining = wait - (now - previous); context = this; args = arguments; if (remaining <= 0) { clearTimeout(timeout); timeout = null; previous = now; result = func.apply(context, args); } else if (!timeout) { timeout = setTimeout(later, remaining); } return result; }; } /* * Scroll Event */ function bindScrollDepth() { scrollEventBound = true; $window.on('scroll.scrollDepth', throttle(function() { /* * We calculate document and window height on each scroll event to * account for dynamic DOM changes. */ var docHeight = $(document).height(), winHeight = window.innerHeight ? window.innerHeight : $window.height(), scrollDistance = $window.scrollTop() + winHeight, /* Recalculate percentage marks */ marks = calculateMarks(docHeight), /* Timing */ timing = +new Date - startTime; checkMarks(marks, scrollDistance, timing); }, 500)); } init(); }; /* UMD export */ return $.scrollDepth; })); jQuery.scrollDepth(); } else { setTimeout(monsterinsights_scroll_tracking_load, 200); } } monsterinsights_scroll_tracking_load(); }); } /* End MonsterInsights Scroll Tracking */ </script><script type="text/javascript" id="wpls-script-js-extra"> /* <![CDATA[ */ var wp_search_vars = {"helperText":"one more character","api":"https:\/\/admin.acceleratingscience.com\/wp-json\/as\/v1\/all-posts\/25"}; /* ]]> */ </script> <script type="text/javascript" src="https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/wp-search-live/public/assets/js/wp-live-search.js?ver=0.9" id="wpls-script-js"></script> <script type="text/javascript" src="https://www.thermofisher.com/blog//wp-includes/js/dist/dom-ready.min.js?ver=f77871ff7694fffea381" id="wp-dom-ready-js"></script> <script type="text/javascript" src="https://www.thermofisher.com/blog//wp-includes/js/dist/hooks.min.js?ver=2810c76e705dd1a53b18" id="wp-hooks-js"></script> <script type="text/javascript" src="https://www.thermofisher.com/blog//wp-includes/js/dist/i18n.min.js?ver=5e580eb46a90c2b997e6" id="wp-i18n-js"></script> <script type="text/javascript" id="wp-i18n-js-after"> /* <![CDATA[ */ wp.i18n.setLocaleData( { 'text direction\u0004ltr': [ 'ltr' ] } ); /* ]]> */ </script> <script type="text/javascript" src="https://www.thermofisher.com/blog//wp-includes/js/dist/a11y.min.js?ver=d90eebea464f6c09bfd5" id="wp-a11y-js"></script> <script type="text/javascript" defer='defer' src="https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/gravityforms/assets/js/dist/vendor-theme.min.js?ver=54e7080aa7a02c83aa61fae430b9d869" id="gform_gravityforms_theme_vendors-js"></script> <script type="text/javascript" id="gform_gravityforms_theme-js-extra"> /* <![CDATA[ */ var gform_theme_config = {"common":{"form":{"honeypot":{"version_hash":"4a792b070322e711c2521ee9802c04ea"}}},"hmr_dev":"","public_path":"https:\/\/admin.acceleratingscience.com\/analyteguru\/wp-content\/plugins\/gravityforms\/assets\/js\/dist\/"}; /* ]]> */ </script> <script type="text/javascript" defer='defer' src="https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/gravityforms/assets/js/dist/scripts-theme.min.js?ver=bab19fd84843dabc070e73326d787910" id="gform_gravityforms_theme-js"></script> <script type="text/javascript" defer='defer' src="https://www.thermofisher.com/blog/analyteguru/wp-content/plugins/gravityforms/js/placeholders.jquery.min.js?ver=2.8.17" id="gform_placeholder-js"></script> <script type="text/javascript" src="https://www.thermofisher.com/blog//wp-includes/js/jquery/ui/core.min.js?ver=1.13.3" id="jquery-ui-core-js"></script> <script type="text/javascript" src="https://www.thermofisher.com/blog//wp-includes/js/jquery/ui/tabs.min.js?ver=1.13.3" id="jquery-ui-tabs-js"></script> <script type="text/javascript" src="https://www.thermofisher.com/blog/analyteguru/wp-content/themes/accelerating-science-multilingual-blogs/js/scripts.js?ver=1.2.9.3" id="scripts-js"></script> <script type="text/javascript" src="/-JVF2Mt77XrPue0oWQ_DN-r_/XEYukNG8mrG8EimE/LFhk/MBsdTQN/rVQM"></script></body></html>