METLIN: A Metabolite Mass Spectral Database

By Colin A. Smith, Grace O' Maille, E. Want, Chuan Qin, S. Trauger, T. Brandon, D. Custodio, Ruben Abagyan, Gary Siuzdak. Therapeutic Drug Monitoring, 2005

2,125 citations recorded by the source corpus.

Subfields: Molecular Biology, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/fb1d51c023da037dac928d7991de1b77ade22728

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Citations in the corpus

Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis (2015, background): “Wiley Registry of Mass Spectral Data (EI-MS) [47] – 289,000 [12] 638,000 Agilent Broecker, Herre & Pragst Toxicology/Forensics [48, 49] 8,998 3,497 8,998 Agilent Pesticide Library LC/Q-TOF MS/MS [50] 1,664 ~700 1,664 Agilent Pesticide Library GC/Q-TOF EI-MS 750 750 750 Agilent METLIN Synthetic Subst”
Integrative Analysis of Multi-omics Data for Discovery and Functional Studies of Complex Human Diseases (2016, background): “…modules need to be matched to reference databases such as the human metabolome database (HMDB) (Wishart et al., 2009), KEGG (Kanehisa & Goto, 2000), the Madison Metabolomics Consortium Database (MMCD) (Cui et al., 2008), Metlin (C. A. Smith et al., 2005), and chemical databases (Baker, 2011).”
The Human Serum Metabolome (2011, background): “With the release of the Human Metabolome Database (HMDB) [4,5] and other related compound or spectral resources such as KEGG [6], LipidMaps [7], PubChem [8], ChEBI [9], MMCD [10], Metlin [11] and MassBank [12], we believe the field has taken an important step towards making metabolomics studies much”
Mass spectrometry-based metabolomics. (2007, methodology): “To date 79 MS/MS spectra of common metabolites and drugs acquired with a Q-TOF instrument are available at the METLIN database (http://metlin.scripps.edu/) (Smith et al., 2005).”
HMDB: a knowledgebase for the human metabolome (2008, methodology): “Spectral databases for metabolomics include the BMRB (11), MMCD (12), MassBank (13), the Golm Metabolome database (14) and Metlin (15).”
Computational mass spectrometry for small molecules (2013, methodology): “XCMS 2 [241] additionally searches LC-MS/MS data against METLIN and also provides structural information for unknown metabolites.”
RIKEN tandem mass spectral database (ReSpect) for phytochemicals: a plant-specific MS/MS-based data resource and database. (2012, methodology): “MS/MS data have recently been made available via web databases such as METLIN (Smith et al., 2005), BinBase (Fiehn et al.”
HMDB 4.0: the human metabolome database for 2018 (2017, background): “(8), MetaboLights (9), the Metabolomics Workbench (10), Lipid Maps (11) and the HMDB (12).”
MassBank: a public repository for sharing mass spectral data for life sciences. (2010, methodology): “[2] The METLIN database of the Scripps Research Institute (San Diego, CA, USA) provides 8800 MS2 data on 1662 metabolites and drugs[3] and the Glycan Mass Spectral Database (GMDB), created by the Research Center for Medical Glycoscience of the National Institute of Advanced Industrial Science and Te”
Predicting Network Activity from High Throughput Metabolomics (2013, background): “For example, a number of metabolites in metabolomics databases [36,65,66] are not in any of these metabolic models.”
Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification (2013, methodology): “This section presents our model for the ESI-MS/MS CID fragmentation process, which we call competitive fragmentation modeling (CFM), and a method for deriving parameters for this model from existing MS/MS data.”
Discovery of a class of endogenous mammalian lipids with anti-diabetic and anti-inflammatory effects (2014, background): “These formulas do not correspond to any known metabolite in the Metlin (Smith et al., 2005) and Lipid Maps (Sud et al.”