:Gary Siuzdak

{{Short description|American chemist}}

{{Infobox scientist

| name = Gary Siuzdak

| image = SizudakDC7.jpg

| birth_date = December 29, 1961

| fields = Analytical Chemistry, Metabolomics

}}

Gary Siuzdak is an American chemist best known for his work in the field of metabolomics,{{Cite journal|last1=Guijas|first1=Carlos|last2=Montenegro-Burke|first2=J. Rafael|last3=Warth|first3=Benedikt|last4=Spilker|first4=Mary E.|last5=Siuzdak|first5=Gary|date=April 2018|title=Metabolomics activity screening for identifying metabolites that modulate phenotype|url= |journal=Nature Biotechnology|volume=36|issue=4|pages=316–320|doi=10.1038/nbt.4101|pmid=29621222 |issn=1546-1696|pmc=5937131}}{{Cite journal|last1=Johnson|first1=Caroline H.|last2=Ivanisevic|first2=Julijana|last3=Siuzdak|first3=Gary|date=July 2016|title=Metabolomics: beyond biomarkers and towards mechanisms|url= |journal=Nature Reviews Molecular Cell Biology|volume=17|issue=7|pages=451–459|doi=10.1038/nrm.2016.25|pmid=26979502 |issn=1471-0080|pmc=5729912}} activity metabolomics{{Cite journal|last1=Rinschen|first1=Markus M.|last2=Ivanisevic|first2=Julijana|last3=Giera|first3=Martin|last4=Siuzdak|first4=Gary|date=June 2019|title=Identification of bioactive metabolites using activity metabolomics|url= |journal=Nature Reviews Molecular Cell Biology|volume=20|issue=6|pages=353–367|doi=10.1038/s41580-019-0108-4|pmid=30814649 |issn=1471-0080|pmc=6613555}}{{Cite journal|last1=Yanes|first1=Oscar|last2=Clark|first2=Julie|last3=Wong|first3=Diana M.|last4=Patti|first4=Gary J.|last5=Sánchez-Ruiz|first5=Antonio|last6=Benton|first6=H. Paul|last7=Trauger|first7=Sunia A.|last8=Desponts|first8=Caroline|last9=Ding|first9=Sheng|last10=Siuzdak|first10=Gary|date=June 2010|title=Metabolic oxidation regulates embryonic stem cell differentiation|url= |journal=Nature Chemical Biology|volume=6|issue=6|pages=411–417|doi=10.1038/nchembio.364|pmid=20436487 |issn=1552-4469|pmc=2873061}}{{Cite journal|last1=Lerner|first1=R. A.|last2=Siuzdak|first2=G.|last3=Prospero-Garcia|first3=O.|last4=Henriksen|first4=S. J.|last5=Boger|first5=D. L.|last6=Cravatt|first6=B. F.|date=1994-09-27|title=Cerebrodiene: a brain lipid isolated from sleep-deprived cats|journal=Proceedings of the National Academy of Sciences|volume=91|issue=20|pages=9505–9508|pmc=44841|doi=10.1073/pnas.91.20.9505|issn=0027-8424|pmid=7937797|bibcode=1994PNAS...91.9505L |doi-access=free }}{{Cite journal|last1=Montenegro-Burke|first1=J. Rafael|last2=Kok|first2=Bernard P.|last3=Guijas|first3=Carlos|last4=Domingo-Almenara|first4=Xavier|last5=Moon|first5=Clara|last6=Galmozzi|first6=Andrea|last7=Kitamura|first7=Seiya|last8=Eckmann|first8=Lars|last9=Saez|first9=Enrique|last10=Siuzdak|first10=Gary E.|last11=Wolan|first11=Dennis W.|date=2021-09-28|title=Metabolomics activity screening of T cell–induced colitis reveals anti-inflammatory metabolites|journal=Science Signaling|volume=14|issue=702|pages=eabf6584|doi=10.1126/scisignal.abf6584|pmid=34582249 |pmc=8757460 }} (a termed coined in 2019{{Cite journal|last1=Rinschen|first1=Markus M.|last2=Ivanisevic|first2=Julijana|last3=Giera|first3=Martin|last4=Siuzdak|first4=Gary|date=June 2019|title=Identification of bioactive metabolites using activity metabolomics|journal=Nature Reviews Molecular Cell Biology|volume=20|issue=6|pages=353–367|doi=10.1038/s41580-019-0108-4|pmid=30814649 |pmc=6613555 |issn=1471-0080}}), and mass spectrometry.{{Cite journal|last1=Giera|first1=Martin|last2=Yanes|first2=Oscar|last3=Siuzdak|first3=Gary|date=2022-01-04|title=Metabolite discovery: Biochemistry's scientific driver|journal=Cell Metabolism|volume=34|issue=1|pages=21–34|doi=10.1016/j.cmet.2021.11.005|pmid=34986335 |pmc=10131248 |s2cid=245729571 |issn=1550-4131|doi-access=free}} His lab discovered indole-3-propionic acid as a gut bacteria derived metabolite in 2009.{{Cite journal |last1=Guijas |first1=Carlos |last2=Horton |first2=Lucy E. |last3=Hoang |first3=Linh |last4=Domingo-Almenara |first4=Xavier |last5=Billings |first5=Elizabeth M. |last6=Ware |first6=Brian C. |last7=Sullivan |first7=Brian |last8=Siuzdak |first8=Gary |date=July 2022 |title=Microbial Metabolite 3-Indolepropionic Acid Mediates Immunosuppression |journal=Metabolites |volume=12 |issue=7 |pages=645 |doi=10.3390/metabo12070645 |doi-access=free |pmid=35888769 |pmc=9317520 |issn=2218-1989}}{{Cite journal |last1=Serger |first1=Elisabeth |last2=Luengo-Gutierrez |first2=Lucia |last3=Chadwick |first3=Jessica S. |last4=Kong |first4=Guiping |last5=Zhou |first5=Luming |last6=Crawford |first6=Greg |last7=Danzi |first7=Matt C. |last8=Myridakis |first8=Antonis |last9=Brandis |first9=Alexander |last10=Bello |first10=Adesola Temitope |last11=Müller |first11=Franziska |last12=Sanchez-Vassopoulos |first12=Alexandros |last13=De Virgiliis |first13=Francesco |last14=Liddell |first14=Phoebe |last15=Dumas |first15=Marc Emmanuel |date=July 2022 |title=The gut metabolite indole-3 propionate promotes nerve regeneration and repair |url=https://www.nature.com/articles/s41586-022-04884-x |journal=Nature |volume=607 |issue=7919 |pages=585–592 |doi=10.1038/s41586-022-04884-x |pmid=35732737 |bibcode=2022Natur.607..585S |issn=1476-4687}} He is currently the Professor and Director of The Center for Metabolomics and Mass Spectrometry at Scripps Research in La Jolla, California.{{cite web |title=Faculty Page, Gary Siuzdak |url=https://www.scripps.edu/faculty/siuzdak/ |website=scripps.edu |accessdate=22 May 2019}} Siuzdak has also made contributions to virus analysis, viral structural dynamics,{{Cite journal|last1=Bothner|first1=Brian|last2=Dong|first2=X. Fan|last3=Bibbs|first3=Lisa|last4=Johnson|first4=John E.|last5=Siuzdak|first5=Gary|date=1998-01-09|title=Evidence of Viral Capsid Dynamics Using Limited Proteolysis and Mass Spectrometry|journal=Journal of Biological Chemistry|volume=273|issue=2|pages=673–676|doi=10.1074/jbc.273.2.673|issn=0021-9258|pmid=9422714|doi-access=free}}{{Cite journal|last1=Lewis|first1=J. Kathleen|last2=Bothner|first2=Brian|last3=Smith|first3=Thomas J.|last4=Siuzdak|first4=Gary|date=1998-06-09|title=Antiviral agent blocks breathing of the common cold virus|journal=Proceedings of the National Academy of Sciences|volume=95|issue=12|pages=6774–6778|pmc=22631 |doi=10.1073/pnas.95.12.6774|issn=0027-8424|pmid=9618488|bibcode=1998PNAS...95.6774L |doi-access=free}}{{Cite journal|last1=Bothner|first1=Brian|last2=Schneemann|first2=Anette|last3=Marshall|first3=Dawn|last4=Reddy|first4=Vijay|last5=Johnson|first5=John E.|last6=Siuzdak|first6=Gary|date=February 1999|title=Crystallographically identical virus capsids display different properties in solution|url=https://www.nature.com/articles/nsb0299_114|journal=Nature Structural Biology|volume=6|issue=2|pages=114–116|doi=10.1038/5799|pmid=10048920 |s2cid=1756648 |issn=1545-9985|url-access=subscription}} as well as developing mass spectrometry imaging technology using nanostructured surfaces. The Siuzdak lab is also responsible for creating the research tools eXtensible Computational Mass Spectrometry (XCMS),{{Cite journal|last1=Smith|first1=Colin A.|last2=Want|first2=Elizabeth J.|last3=O'Maille|first3=Grace|last4=Abagyan|first4=Ruben|last5=Siuzdak|first5=Gary|date=2006-02-01|title=XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification|url=https://doi.org/10.1021/ac051437y|journal=Analytical Chemistry|volume=78|issue=3|pages=779–787|doi=10.1021/ac051437y|pmid=16448051 |issn=0003-2700|url-access=subscription}}{{Citation |last1=Domingo-Almenara |first1=Xavier |title=Metabolomics Data Processing Using XCMS |date=2020 |url=https://doi.org/10.1007/978-1-0716-0239-3_2 |work=Computational Methods and Data Analysis for Metabolomics |pages=11–24 |editor-last=Li |editor-first=Shuzhao |access-date=2023-07-13 |series=Methods in Molecular Biology |place=New York, NY |publisher=Springer US |doi=10.1007/978-1-0716-0239-3_2 |isbn=978-1-0716-0239-3 |last2=Siuzdak |first2=Gary|volume=2104 |pmid=31953810 |s2cid=210709390 |url-access=subscription }} METLIN,{{Cite journal|last1=Xue|first1=Jingchuan|last2=Guijas|first2=Carlos|last3=Benton|first3=H. Paul|last4=Warth|first4=Benedikt|last5=Siuzdak|first5=Gary|date=2020-08-24|title=METLIN MS 2 molecular standards database: a broad chemical and biological resource|journal=Nature Methods|volume=17 |issue=10 |pages=953–954|doi=10.1038/s41592-020-0942-5|pmid=32839599 |pmc=8802982 |issn=1548-7105}} METLIN Neutral Loss{{Cite journal|last1=Aisporna|first1=Aries|last2=Benton|first2=H. Paul|last3=Galano|first3=Jean Marie|last4=Giera|first4=Martin|last5=Siuzdak|first5=Gary|date=2021-04-04|title=METLIN Neutral Loss Database Enhances Similarity Analysis|url=https://www.biorxiv.org/content/10.1101/2021.04.02.438066v2|pages=2021.04.02.438066|doi=10.1101/2021.04.02.438066|s2cid=233175525 |doi-access=free}} and Q-MRM.{{Cite journal|last1=Xue|first1=Jingchuan|last2=Derks|first2=Rico J. E.|last3=Webb|first3=Bill|last4=Billings|first4=Elizabeth M.|last5=Aisporna|first5=Aries|last6=Giera|first6=Martin|last7=Siuzdak|first7=Gary|date=2021-08-10|title=Single Quadrupole Multiple Fragment Ion Monitoring Quantitative Mass Spectrometry|url=https://doi.org/10.1021/acs.analchem.1c01246|journal=Analytical Chemistry|volume=93|issue=31|pages=10879–10889|doi=10.1021/acs.analchem.1c01246|pmid=34313111 |pmc=8762722 |hdl=1887/3243130 |issn=0003-2700}}{{Cite journal|last1=Xue|first1=Jingchuan|last2=Derks|first2=Rico J. E.|last3=Hoang|first3=Linh|last4=Giera|first4=Martin|last5=Siuzdak|first5=Gary|date=2021-10-11|title=Proteomics with Enhanced In-Source Fragmentation/Annotation: Applying XCMS-EISA Informatics and Q-MRM High-Sensitivity Quantification|journal=Journal of the American Society for Mass Spectrometry|volume=32 |issue=11 |pages=2644–2654 |doi=10.1021/jasms.1c00188|pmid=34633184 |s2cid=238581609 |issn=1044-0305|pmc=10245389}} As of January 2021,{{Cite journal|last1=Majumder|first1=Erica L.-W.|last2=Billings|first2=Elizabeth M.|last3=Benton|first3=H. Paul|last4=Martin|first4=Richard L.|last5=Palermo|first5=Amelia|last6=Guijas|first6=Carlos|last7=Rinschen|first7=Markus M.|last8=Domingo-Almenara|first8=Xavier|last9=Montenegro-Burke|first9=J. Rafael|last10=Tagtow|first10=Bradley A.|last11=Plumb|first11=Robert S.|date=2021-01-22|title=Cognitive analysis of metabolomics data for systems biology|journal=Nature Protocols|volume=16 |issue=3 |pages=1376–1418|doi=10.1038/s41596-020-00455-4|pmid=33483720 |osti=1774918 |s2cid=231687415 |issn=1750-2799|pmc=10357461}} the XCMS/METLIN platform has over 50,000 registered users.

Siuzdak studied chemistry (B.S.) and applied mathematics (B.A.) at Rhode Island College. He then went to Dartmouth College for his graduate work where he built his first mass spectrometer{{Cite journal|last1=Siuzdak|first1=Gary.|last2=BelBruno|first2=Joseph J.|date=May 1990|title=Laser multiphoton dissociation/ionization of butylamines: competitive processes in radical cations|url=https://pubs.acs.org/doi/pdf/10.1021/j100374a038|journal=The Journal of Physical Chemistry|volume=94|issue=11|pages=4559–4565|doi=10.1021/j100374a038|issn=0022-3654|url-access=subscription}} to perform multi-photon ionization mass spectrometry experiments and occasionally competed in powerlifting.{{cite news |last1=Scandura |first1=Mike |title=Weightlifting the right way good for Siuzdak |publisher=The Evening Times (Pawtucket, R.I.) |date=30 Dec 1987}} At Dartmouth he received his Ph.D. in Physical Chemistry (March 29, 1990) and on April 1, 1990, started at Scripps Research. In 2017 Siuzdak received an honorary doctorate (with Emmanuelle Charpentier) from Umeå University{{Cite web|title=Biochemist and metabolomics researcher take honorary roles at Umeå University|url=https://www.umu.se/en/news/biochemist-and-metabolomics-researcher-take-honorary-roles-at-umea-university_5814196/|access-date=2020-10-21|website=www.umu.se}} for his work in metabolomics. Siuzdak has hundreds of [https://scholar.google.com/citations?user=3BpMXA8AAAAJ&hl=en papers] and has authored two books: Mass Spectrometry for Biotechnology (1996) and The Expanding Role of Mass Spectrometry in Biotechnology (2003) as well as The Expanding Role of Mass Spectrometry in Biotechnology 2nd Ed. (2006).{{cite web |title=Interview with Dr. Gary Siuzdak |url=http://www.metabonews.ca/Sep2012/MetaboNews_Sep2012.htm#MetaboInterviews |website=MetaboNews, Issue 13 - September 2012 |accessdate=22 May 2019}}

Notable research

From 1994 to the present the Siuzdak lab has been working on activity metabolomics.{{Cite journal|last1=Patti|first1=Gary J.|last2=Yanes|first2=Oscar|last3=Shriver|first3=Leah P.|last4=Courade|first4=Jean-Phillipe|last5=Tautenhahn|first5=Ralf|last6=Manchester|first6=Marianne|last7=Siuzdak|first7=Gary|date=March 2012|title=Metabolomics implicates altered sphingolipids in chronic pain of neuropathic origin|url= |journal=Nature Chemical Biology|volume=8|issue=3|pages=232–234|doi=10.1038/nchembio.767|pmid=22267119 |issn=1552-4469|pmc=3567618}}{{Cite journal|last1=Wikoff|first1=William R.|last2=Anfora|first2=Andrew T.|last3=Liu|first3=Jun|last4=Schultz|first4=Peter G.|last5=Lesley|first5=Scott A.|last6=Peters|first6=Eric C.|last7=Siuzdak|first7=Gary|date=2009-03-10|title=Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites|journal=Proceedings of the National Academy of Sciences|volume=106|issue=10|pages=3698–3703| pmc=2656143|doi=10.1073/pnas.0812874106|issn=0027-8424|pmid=19234110|bibcode=2009PNAS..106.3698W |doi-access=free}}{{Cite journal|last1=Beyer|first1=Brittney A.|last2=Fang|first2=Mingliang|last3=Sadrian|first3=Benjamin|last4=Montenegro-Burke|first4=J. Rafael|last5=Plaisted|first5=Warren C.|last6=Kok|first6=Bernard P. C.|last7=Saez|first7=Enrique|last8=Kondo|first8=Toru|last9=Siuzdak|first9=Gary|last10=Lairson|first10=Luke L.|date=January 2018|title=Metabolomics-based discovery of a metabolite that enhances oligodendrocyte maturation|url= |journal=Nature Chemical Biology|volume=14|issue=1|pages=22–28|doi=10.1038/nchembio.2517|pmid=29131145 |issn=1552-4469|pmc=5928791}}{{Cite journal|last1=Guijas|first1=Carlos|last2=Montenegro-Burke|first2=J. Rafael|last3=Cintron-Colon|first3=Rigo|last4=Domingo-Almenara|first4=Xavier|last5=Sanchez-Alavez|first5=Manuel|last6=Aguirre|first6=Carlos A.|last7=Shankar|first7=Kokila|last8=Majumder|first8=Erica L.-W.|last9=Billings|first9=Elizabeth|last10=Conti|first10=Bruno|last11=Siuzdak|first11=Gary|date=2020-09-08|title=Metabolic adaptation to calorie restriction|journal=Science Signaling|volume=13|issue=648|doi=10.1126/scisignal.abb2490|pmc=7580877|issn=1945-0877|pmid=32900879|doi-access=free}} using liquid chromatography mass spectrometry-based metabolomics to identify metabolites that alter phenotype. His initial efforts with Richard Lerner, used liquid chromatography mass spectrometry to perform metabolomic experiments on the cerebral spinal fluid of sleep deprived animals. cis-9,10-octadecenoamide, a novel lipid hormone (also known as oleamide), was observed and shown to have sleep inducing properties. This work is one of the earliest such experiments combining liquid chromatography mass spectrometry and metabolomics to identify active metabolites.{{cite journal |last1=Cravatt |first1=BF |last2=Prospero-Garcia |first2=O |last3=Siuzdak |first3=G |last4=Gilula |first4=NB |last5=Henriksen |first5=SJ |last6=Boger |first6=DL |last7=Lerner |first7=RA |title=Chemical characterization of a family of brain lipids that induce sleep. |journal=Science |date=9 June 1995 |volume=268 |issue=5216 |pages=1506–9 |pmid=7770779|doi=10.1126/science.7770779 |bibcode=1995Sci...268.1506C }} Another notable activity metabolomics effort with Oscar Yanes (Spain) identified neuroprotectin D1 as a metabolite that promotes stem cell differentiation.

In 1996 whole virus analysis was performed with an electrospray ionization mass spectrometer where the virus was collected and successfully tested for viability.{{Cite journal|last1=Siuzdak|first1=Gary|last2=Bothner|first2=Brian|last3=Yeager|first3=Mark|last4=Brugidou|first4=Christophe|last5=Fauquet|first5=Claude M.|last6=Hoey|first6=Kenway|last7=Change|first7=Cheng-Ming|date=1996-01-01|title=Mass spectrometry and viral analysis|journal=Chemistry & Biology|volume=3|issue=1|pages=45–48|doi=10.1016/S1074-5521(96)90083-6|pmid=8807827 |issn=1074-5521|doi-access=free}} Later, he and his collaborators provided the first example of a whole intact virus (tobacco mosaic virus) being mass measured using a charge detection mass spectrometer, an instrument designed by Henry Benner and Stephen Fuerstenau at Lawrence Berkeley National Labs.{{Cite journal|last1=Fuerstenau|first1=Stephen D.|last2=Benner|first2=W. Henry|last3=Thomas|first3=John J.|last4=Brugidou|first4=Christophe|last5=Bothner|first5=Brian|last6=Siuzdak|first6=Gary|date=2001|title=Mass Spectrometry of an Intact Virus|url=https://onlinelibrary.wiley.com/doi/abs/10.1002/1521-3773%2820010202%2940%3A3%3C541%3A%3AAID-ANIE541%3E3.0.CO%3B2-K|journal=Angewandte Chemie International Edition|volume=40|issue=3|pages=541–544|doi=10.1002/1521-3773(20010202)40:3<541::AID-ANIE541>3.0.CO;2-K|issn=1521-3773|url-access=subscription}}

In 1999, the Siuzdak lab described the use of nanostructures to enhance desorption/ionization on porous silicon of small molecules (DIOS),{{Cite journal|last1=Wei|first1=Jing|last2=Buriak|first2=Jillian M.|last3=Siuzdak|first3=Gary|date=May 1999|title=Desorption–ionization mass spectrometry on porous silicon|url=https://www.nature.com/articles/20400/|journal=Nature|volume=399|issue=6733|pages=243–246|doi=10.1038/20400|pmid=10353246 |bibcode=1999Natur.399..243W |s2cid=4314372 |issn=1476-4687|url-access=subscription}} this is also known as the first surface-based example of surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS). This technology went on to be expanded using fluorinated initiator molecules used within the porous silicon and was described as Nanostructure Initiator Mass Spectrometry (NIMS),{{Cite journal|last1=Northen|first1=Trent R.|last2=Yanes|first2=Oscar|last3=Northen|first3=Michael T.|last4=Marrinucci|first4=Dena|last5=Uritboonthai|first5=Winnie|last6=Apon|first6=Junefredo|last7=Golledge|first7=Stephen L.|last8=Nordström|first8=Anders|last9=Siuzdak|first9=Gary|date=October 2007|title=Clathrate nanostructures for mass spectrometry|url=https://www.nature.com/articles/nature06195|journal=Nature|volume=449|issue=7165|pages=1033–1036|doi=10.1038/nature06195|pmid=17960240 |bibcode=2007Natur.449.1033N |s2cid=4404703 |issn=1476-4687|url-access=subscription}} it is also known as Nanostructure Imaging Mass Spectrometry (NIMS) because of its expanded application to imaging.{{cite book |last1=Kurczy |first1=ME |last2=Northen |first2=TR |last3=Trauger |first3=SA |last4=Siuzdak |first4=G |chapter=Nanostructure Imaging Mass Spectrometry: The Role of Fluorocarbons in Metabolite Analysis and Yoctomole Level Sensitivity |title=Mass Spectrometry Imaging of Small Molecules |year=2015 |volume=1203 |pages=141–9 |doi=10.1007/978-1-4939-1357-2_14 |pmid=25361674|pmc=4755109 |series=Methods in Molecular Biology |isbn=978-1-4939-1356-5 }}

In 2005, the Siuzdak lab was engaged in identifying dysregulated metabolic peaks from liquid chromatography mass spectrometry data sets, to address the issue retention time alignment they developed the first algorithm that allowed for the nonlinear alignment of metabolomics data called XCMS.{{Cite journal|last1=Tautenhahn|first1=Ralf|last2=Patti|first2=Gary J.|last3=Rinehart|first3=Duane|last4=Siuzdak|first4=Gary|date=2012-06-05|title=XCMS Online: A Web-Based Platform to Process Untargeted Metabolomic Data|url= |journal=Analytical Chemistry|volume=84|issue=11|pages=5035–5039|doi=10.1021/ac300698c|issn=0003-2700|pmc=3703953|pmid=22533540}}

From the early 2000s{{Cite journal|last1=Smith|first1=Colin A.|last2=Maille|first2=Grace O'|last3=Want|first3=Elizabeth J.|last4=Qin|first4=Chuan|last5=Trauger|first5=Sunia A.|last6=Brandon|first6=Theodore R.|last7=Custodio|first7=Darlene E.|last8=Abagyan|first8=Ruben|last9=Siuzdak|first9=Gary|date=December 2005|title=METLIN: A Metabolite Mass Spectral Database|url=https://journals.lww.com/drug-monitoring/Abstract/2005/12000/METLIN__A_Metabolite_Mass_Spectral_Database.16.aspx|journal=Therapeutic Drug Monitoring|volume=27|issue=6|pages=747–751|doi=10.1097/01.ftd.0000179845.53213.39|pmid=16404815 |s2cid=14774455 |issn=0163-4356|url-access=subscription}}{{Cite journal|last1=Guijas|first1=Carlos|last2=Montenegro-Burke|first2=J. Rafael|last3=Domingo-Almenara|first3=Xavier|last4=Palermo|first4=Amelia|last5=Warth|first5=Benedikt|last6=Hermann|first6=Gerrit|last7=Koellensperger|first7=Gunda|last8=Huan|first8=Tao|last9=Uritboonthai|first9=Winnie|last10=Aisporna|first10=Aries E.|last11=Wolan|first11=Dennis W.|date=2018-03-06|title=METLIN: A Technology Platform for Identifying Knowns and Unknowns|url= |journal=Analytical Chemistry|volume=90|issue=5|pages=3156–3164|doi=10.1021/acs.analchem.7b04424|issn=0003-2700|pmc=5933435|pmid=29381867}} to the present, the Siuzdak lab created and has been expanding the tandem mass spectrometry database known as METLIN. METLIN is made up solely of experimental data generated from high resolution tandem mass spectrometry instrumentation, all of the data is derived from molecular standards. METLIN (as of August 2022) has over 870,000 molecular standards with experimental tandem mass spectrometry data.{{Cite journal |last1=Guijas |first1=Carlos |last2=To |first2=Andrew |last3=Montenegro-Burke |first3=J. Rafael |last4=Domingo-Almenara |first4=Xavier |last5=Alipio-Gloria |first5=Zaida |last6=Kok |first6=Bernard P. |last7=Saez |first7=Enrique |last8=Alvarez |first8=Nicole H. |last9=Johnson |first9=Kristen A. |last10=Siuzdak |first10=Gary |date=August 2022 |title=Drug-Initiated Activity Metabolomics Identifies Myristoylglycine as a Potent Endogenous Metabolite for Human Brown Fat Differentiation |journal=Metabolites |volume=12 |issue=8 |pages=749 |doi=10.3390/metabo12080749 |issn=2218-1989 |pmc=9415469 |pmid=36005620|doi-access=free }} METLIN is unique with respect to its size, as other databases are over an order of magnitude smaller, and it is also unique because all of METLIN's tandem mass spectrometry data has been systematically generated at multiple collision energies and in positive and negative ionization modes.

In 2020, the Siuzdak lab building off their work with Xavi Domingo{{Cite journal|last1=Domingo-Almenara|first1=Xavier|last2=Montenegro-Burke|first2=J. Rafael|last3=Guijas|first3=Carlos|last4=Majumder|first4=Erica L.-W.|last5=Benton|first5=H. Paul|last6=Siuzdak|first6=Gary|date=2019-03-05|title=Autonomous METLIN-Guided In-source Fragment Annotation for Untargeted Metabolomics|url= |journal=Analytical Chemistry|volume=91|issue=5|pages=3246–3253|doi=10.1021/acs.analchem.8b03126|issn=0003-2700|pmc=6637741|pmid=30681830}} and METLIN, developed Enhanced In-Source Fragmentation/Annotation (EISA){{Cite journal|last1=Xue|first1=Jingchuan|last2=Domingo-Almenara|first2=Xavier|last3=Guijas|first3=Carlos|last4=Palermo|first4=Amelia|last5=Rinschen|first5=Markus M.|last6=Isbell|first6=John|last7=Benton|first7=H. Paul|last8=Siuzdak|first8=Gary|date=2020-04-21|title=Enhanced in-Source Fragmentation Annotation Enables Novel Data Independent Acquisition and Autonomous METLIN Molecular Identification|url=https://doi.org/10.1021/acs.analchem.0c00409|journal=Analytical Chemistry|volume=92|issue=8|pages=6051–6059|doi=10.1021/acs.analchem.0c00409|pmid=32242660 |pmc=8966047 |issn=0003-2700}} to facilitate the fragmentation, identification, and quantification (via Q-MRM){{Cite journal|last1=Xue|first1=Jingchuan|last2=Derks|first2=Rico J. E.|last3=Hoang|first3=Linh|last4=Giera|first4=Martin|last5=Siuzdak|first5=Gary|date=2021-10-11|title=Proteomics with Enhanced In-Source Fragmentation/Annotation: Applying XCMS-EISA Informatics and Q-MRM High-Sensitivity Quantification|url=https://doi.org/10.1021/jasms.1c00188|journal=Journal of the American Society for Mass Spectrometry|volume=32 |issue=11 |pages=2644–2654 |doi=10.1021/jasms.1c00188|pmid=34633184 |s2cid=238581609 |issn=1044-0305|pmc=10245389}} of molecules without the use of tandem mass spectrometry.

References

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