SPLASH, a hashed identifier for mass spectra

被引：47

作者：

Wohlgemuth, Gert ^{[1
,2
]}

Mehta, Sajjan S. ^{[1
,2
]}

Mejia, Ramon F. ^{[3
]}

Neumann, Steffen ^{[4
]}

Pedrosa, Diego ^{[1
,2
]}

Pluskal, Tomas ^{[5
]}

Schymanski, Emma L. ^{[6
]}

Willighagen, Egon L. ^{[7
]}

Wilson, Michael ^{[8
]}

Wishart, David S. ^{[8
]}

Arita, Masanori ^{[3
,9
]}

Dorrestein, Pieter C. ^{[10
,11
,12
]}

Bandeira, Nuno ^{[10
,13
,14
]}

Wang, Mingxun ^{[13
,14
]}

Schulze, Tobias ^{[15
]}

Salek, Reza M. ^{[16
]}

Steinbeck, Christoph ^{[16
]}

Nainala, Venkata Chandrasekhar ^{[16
]}

Mistrik, Robert ^{[17
]}

Nishioka, Takaaki ^{[18
]}

Fiehn, Oliver ^{[1
,2
,19
]}

机构：

[1] Univ Calif Davis, West Coast Metab Ctr, Davis, CA 95616 USA

[2] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA

[3] RIKEN Ctr Sustainable Resource Sci, Yokohama, Kanagawa, Japan

[4] Lcibniz Inst Plant Biochem, Dept Stress & Dev Biol, Halle, Germany

[5] Nine Cambridge Ctr, Whitehead Inst Biomed Res, Cambridge, MA USA

[6] Eawag Swiss Fed Inst Aquat Sci & Technol, Dubendorf, Switzerland

[7] Maastricht Univ, BiGCaT, Dept Bioinformat, Maastricht, Netherlands

[8] Univ Alberta, Dept Comp Sci, Edmonton, AB, Canada

[9] Natl Inst Genet, Mishima, Shizuoka, Japan

[10] Univ Calif San Diego, Collaborat Mass Spectrometry Innovat Ctr, Skaggs Sch Pharm & Pharmaceut Sci, La Jolla, CA USA

[11] Univ Calif San Diego, Sch Med, Dept Pharmacol, La Jolla, CA USA

[12] Univ Calif San Diego, Sch Med, Dept Pediat, La Jolla, CA USA

[13] Univ Calif San Diego, Comp Sci & Engn, La Jolla, CA USA

[14] Univ Calif San Diego, Ctr Computat Mass Spectrometry, La Jolla, CA USA

[15] UFZ Helmholtz Ctr Environm Res GmbH, Dept Effect Directed Anal, Leipzig, Germany

[16] Wellcome Trust Genome Campus, EMBL EBI, Cambridge, England

[17] HighChem Ltd, Bratislava, Slovakia

[18] Kyoto Univ, Grad Sch Agr, Kitashirakawa Oiwake Cho, Kyoto, Japan

[19] King Abdulaziz Univ, Dept Biochem, Jeddah, Saudi Arabia

来源：

NATURE BIOTECHNOLOGY | 2016年 / 34卷 / 11期

基金：

美国国家科学基金会; 英国生物技术与生命科学研究理事会; 英国医学研究理事会;

关键词：

DATABASE; INCHI; METABOLOMICS; REPOSITORY;

D O I：

10.1038/nbt.3689

中图分类号：

Q81 [生物工程学（生物技术）]; Q93 [微生物学];

学科分类号：

071005 ; 0836 ; 090102 ; 100705 ;

摘要：

引用

页码：1099 / 1101

页数：3

共 18 条

[1] MetaboLights-an open-access general-purpose repository for metabolomics studies and associated meta-data [J].

Haug, Kenneth ;

Salek, Reza M. ;

Conesa, Pablo ;

Hastings, Janna ;

de Matos, Paula ;

Rijnbeek, Mark ;

Mahendraker, Tejasvi ;

Williams, Mark ;

Neumann, Steffen ;

Rocca-Serra, Philippe ;

Maguire, Eamonn ;

Gonzalez-Beltran, Alejandra ;

Sansone, Susanna-Assunta ;

Griffin, Julian L. ;

Steinbeck, Christoph .

NUCLEIC ACIDS RESEARCH, 2013, 41 (D1) :D781-D786

[2] InChI - the worldwide chemical structure identifier standard [J].

Heller, Stephen ;

McNaught, Alan ;

Stein, Stephen ;

Tchekhovskoi, Dmitrii ;

Pletnev, Igor .

JOURNAL OF CHEMINFORMATICS, 2013, 5

[3] InChI, the IUPAC International Chemical Identifier [J].

Heller, Stephen R. ;

McNaught, Alan ;

Pletnev, Igor ;

Stein, Stephen ;

Tchekhovskoi, Dmitrii .

JOURNAL OF CHEMINFORMATICS, 2015, 7

[4] MassBank: a public repository for sharing mass spectral data for life sciences [J].

Horai, Hisayuki ;

Arita, Masanori ;

Kanaya, Shigehiko ;

Nihei, Yoshito ;

Ikeda, Tasuku ;

Suwa, Kazuhiro ;

Ojima, Yuya ;

Tanaka, Kenichi ;

Tanaka, Satoshi ;

Aoshima, Ken ;

Oda, Yoshiya ;

Kakazu, Yuji ;

Kusano, Miyako ;

Tohge, Takayuki ;

Matsuda, Fumio ;

Sawada, Yuji ;

Hirai, Masami Yokota ;

Nakanishi, Hiroki ;

Ikeda, Kazutaka ;

Akimoto, Naoshige ;

Maoka, Takashi ;

Takahashi, Hiroki ;

Ara, Takeshi ;

Sakurai, Nozomu ;

Suzuki, Hideyuki ;

Shibata, Daisuke ;

Neumann, Steffen ;

Iida, Takashi ;

Tanaka, Ken ;

Funatsu, Kimito ;

Matsuura, Fumito ;

Soga, Tomoyoshi ;

Taguchi, Ryo ;

Saito, Kazuki ;

Nishioka, Takaaki .

JOURNAL OF MASS SPECTROMETRY, 2010, 45 (07) :703-714

[5] FiehnLib: Mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography/Mass Spectrometry [J].

Kind, Tobias ;

Wohlgemuth, Gert ;

Lee, Do Yup ;

Lu, Yun ;

Palazoglu, Mine ;

Shahbaz, Sevini ;

Fiehn, Oliver .

ANALYTICAL CHEMISTRY, 2009, 81 (24) :10038-10048

[6]

National Institute of Standards and Technology, 2015, FIPS PUB

[7] MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data [J].

Pluskal, Tomas ;

Castillo, Sandra ;

Villar-Briones, Alejandro ;

Oresic, Matej .

BMC BIOINFORMATICS, 2010, 11

[8] RIKEN tandem mass spectral database (ReSpect) for phytochemicals: A plant-specific MS/MS-based data resource and database [J].

Sawada, Yuji ;

Nakabayashi, Ryo ;

Yamada, Yutaka ;

Suzuki, Makoto ;

Sato, Muneo ;

Sakata, Akane ;

Akiyama, Kenji ;

Sakurai, Tetsuya ;

Matsuda, Fumio ;

Aoki, Toshio ;

Hirai, Masami Yokota ;

Saito, Kazuki .

PHYTOCHEMISTRY, 2012, 82 :38-45

[9] The volatile compound BinBase mass spectral database [J].

Skogerson, Kirsten ;

Wohlgemuth, Gert ;

Barupal, Dinesh K. ;

Fiehn, Oliver .

BMC BIOINFORMATICS, 2011, 12

[10] InChI in the wild: an assessment of InChIKey searching in Google [J].

Southan, Christopher .

JOURNAL OF CHEMINFORMATICS, 2013, 5

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