-
1
-
-
84955289208
-
Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring
-
COI: 1:CAS:528:DC%2BC28XhslSks7o%3D
-
Rager JE, Strynar MJ, Liang S, McMahen RL, Richard AM, Grulke CM, et al. Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring. Environ Int. 2016;88:269–80.
-
(2016)
Environ Int
, vol.88
, pp. 269-280
-
-
Rager, J.E.1
Strynar, M.J.2
Liang, S.3
McMahen, R.L.4
Richard, A.M.5
Grulke, C.M.6
-
2
-
-
84943359221
-
Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis
-
COI: 1:CAS:528:DC%2BC2MXosFKjsr8%3D
-
Schymanski EL, Singer HP, Slobodnik J, Ipolyi IM, Oswald P, Krauss M, et al. Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis. Anal Bioanal Chem. 2015;407(21):6237–55.
-
(2015)
Anal Bioanal Chem
, vol.407
, Issue.21
, pp. 6237-6255
-
-
Schymanski, E.L.1
Singer, H.P.2
Slobodnik, J.3
Ipolyi, I.M.4
Oswald, P.5
Krauss, M.6
-
3
-
-
84894259913
-
Identifying small molecules via high resolution mass spectrometry: communicating confidence
-
COI: 1:CAS:528:DC%2BC2cXhsVKrsbk%3D
-
Schymanski EL, Jeon J, Gulde R, Fenner K, Ruff M, Singer HP, et al. Identifying small molecules via high resolution mass spectrometry: communicating confidence. Environ Sci Technol. 2014;48(4):2097–8.
-
(2014)
Environ Sci Technol
, vol.48
, Issue.4
, pp. 2097-2098
-
-
Schymanski, E.L.1
Jeon, J.2
Gulde, R.3
Fenner, K.4
Ruff, M.5
Singer, H.P.6
-
4
-
-
84950131345
-
LC–MS screening techniques for wastewater analysis and analytical data handling strategies: Sartans and their transformation products as an example
-
COI: 1:CAS:528:DC%2BC2MXhtFOkt73O
-
Letzel T, Bayer A, Schulz W, Heermann A, Lucke T, Greco G, et al. LC–MS screening techniques for wastewater analysis and analytical data handling strategies: Sartans and their transformation products as an example. Chemosphere. 2015;137:198–206.
-
(2015)
Chemosphere
, vol.137
, pp. 198-206
-
-
Letzel, T.1
Bayer, A.2
Schulz, W.3
Heermann, A.4
Lucke, T.5
Greco, G.6
-
5
-
-
85012094789
-
-
Letzel T, Lucke T, Schulz W, Sengl M, Letzel M. OMI (Organic Molecule Identification) in water using LC-MS (/MS): steps from “unknown” to “identified”: a contribution to the discussion In a class of its own. Lab More. 2014;4:24–28
-
Letzel T, Lucke T, Schulz W, Sengl M, Letzel M. OMI (Organic Molecule Identification) in water using LC-MS (/MS): steps from “unknown” to “identified”: a contribution to the discussion In a class of its own. Lab More. 2014;4:24–28. http://www.int.laborundmore.com/archive/921107/OMI-(Organic-Molecule-Identification)-in-water-using-LC-MS(-MS)%3A-Steps-from-%E2%80%9Cunknown%E2%80%9D-to-%E2%80%9Cidentified%E2%80%9D%3A-a-contribution-to-the-discussion.html.
-
-
-
-
6
-
-
79952521506
-
Identification of “known unknowns” utilizing accurate mass data and chemical abstracts service databases
-
COI: 1:CAS:528:DC%2BC3MXnt1Oit7Y%3D
-
Little JL, Cleven CD, Brown SD. Identification of “known unknowns” utilizing accurate mass data and chemical abstracts service databases. J Am Soc Mass Spectr. 2011;22(2):348–59.
-
(2011)
J Am Soc Mass Spectr
, vol.22
, Issue.2
, pp. 348-359
-
-
Little, J.L.1
Cleven, C.D.2
Brown, S.D.3
-
7
-
-
84856157713
-
Identification of “known unknowns” utilizing accurate mass data and ChemSpider
-
COI: 1:CAS:528:DC%2BC38XltVaitbw%3D
-
Little JL, Williams AJ, Pshenichnov A, Tkachenko V. Identification of “known unknowns” utilizing accurate mass data and ChemSpider. J Am Soc Mass Spectr. 2012;23(1):179–85.
-
(2012)
J Am Soc Mass Spectr
, vol.23
, Issue.1
, pp. 179-185
-
-
Little, J.L.1
Williams, A.J.2
Pshenichnov, A.3
Tkachenko, V.4
-
8
-
-
78449296488
-
ChemSpider: an online chemical information resource
-
COI: 1:CAS:528:DC%2BC3cXhtV2jtr%2FF
-
Pence HE, Williams A. ChemSpider: an online chemical information resource. J Chem Educ. 2010;87(11):1123–4.
-
(2010)
J Chem Educ
, vol.87
, Issue.11
, pp. 1123-1124
-
-
Pence, H.E.1
Williams, A.2
-
9
-
-
85012067691
-
-
Royal Society of Chemistry. ChemSpider. 2016.
-
Royal Society of Chemistry. ChemSpider. 2016. http://www.chemspider.com/.
-
-
-
-
10
-
-
84893524340
-
Strategies to characterize polar organic contamination in wastewater: exploring the capability of high resolution mass spectrometry
-
COI: 1:CAS:528:DC%2BC3sXhvF2kt7jK
-
Schymanski EL, Singer HP, Longrée P, Loos M, Ruff M, Stravs MA, et al. Strategies to characterize polar organic contamination in wastewater: exploring the capability of high resolution mass spectrometry. Environ Sci Technol. 2014;48(3):1811–8. doi:10.1021/es4044374.
-
(2014)
Environ Sci Technol
, vol.48
, Issue.3
, pp. 1811-1818
-
-
Schymanski, E.L.1
Singer, H.P.2
Longrée, P.3
Loos, M.4
Ruff, M.5
Stravs, M.A.6
-
11
-
-
84865588846
-
Accurate mass measurements and their appropriate use for reliable analyte identification
-
COI: 1:CAS:528:DC%2BC38Xos1amt7w%3D
-
Godfrey AR, Brenton AG. Accurate mass measurements and their appropriate use for reliable analyte identification. Anal Bioanal Chem. 2012;404(4):1159–64. doi:10.1007/s00216-012-6136-y.
-
(2012)
Anal Bioanal Chem
, vol.404
, Issue.4
, pp. 1159-1164
-
-
Godfrey, A.R.1
Brenton, A.G.2
-
12
-
-
84956921261
-
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
-
Ruttkies C, Schymanski EL, Wolf S, Hollender J, Neumann S. MetFrag relaunched: incorporating strategies beyond in silico fragmentation. J Cheminform. 2016;8(1):1–16. doi:10.1186/s13321-016-0115-9.
-
(2016)
J Cheminform
, vol.8
, Issue.1
, pp. 1-16
-
-
Ruttkies, C.1
Schymanski, E.L.2
Wolf, S.3
Hollender, J.4
Neumann, S.5
-
13
-
-
84975789830
-
Facilitating high resolution mass spectrometry data processing for screening of environmental water samples: an evaluation of two deconvolution tools
-
Bade R, Causanilles A, Emke E, Bijlsma L, Sancho JV, Hernandez F, et al. Facilitating high resolution mass spectrometry data processing for screening of environmental water samples: an evaluation of two deconvolution tools. Sci Total Environ. 2016;569:434–41.
-
(2016)
Sci Total Environ
, vol.569
, pp. 434-441
-
-
Bade, R.1
Causanilles, A.2
Emke, E.3
Bijlsma, L.4
Sancho, J.V.5
Hernandez, F.6
-
14
-
-
84863779268
-
Is nontarget screening of emerging contaminants by LC-HRMS successful? A plea for compound libraries and computer tools
-
COI: 1:CAS:528:DC%2BC38XltVOqur8%3D
-
Zedda M, Zwiener C. Is nontarget screening of emerging contaminants by LC-HRMS successful? A plea for compound libraries and computer tools. Anal Bioanal Chem. 2012;403(9):2493–502. doi:10.1007/s00216-012-5893-y.
-
(2012)
Anal Bioanal Chem
, vol.403
, Issue.9
, pp. 2493-2502
-
-
Zedda, M.1
Zwiener, C.2
-
15
-
-
0037192325
-
Distributed structure-searchable toxicity (DSSTox) public database network: a proposal
-
COI: 1:CAS:528:DC%2BD38Xms1Gjuw%3D%3D
-
Richard AM, Williams CR. Distributed structure-searchable toxicity (DSSTox) public database network: a proposal. Mutat Res-Fund Mol M. 2002;499(1):27–52. doi:10.1016/S0027-5107(01)00289-5.
-
(2002)
Mutat Res-Fund Mol M
, vol.499
, Issue.1
, pp. 27-52
-
-
Richard, A.M.1
Williams, C.R.2
-
16
-
-
84952036331
-
Pharmaceutical occurrence in groundwater and surface waters in forests land-applied with municipal wastewater
-
COI: 1:CAS:528:DC%2BC2MXhvFKqt7zL
-
McEachran AD, Shea D, Bodnar W, Nichols EG. Pharmaceutical occurrence in groundwater and surface waters in forests land-applied with municipal wastewater. Environ Toxicol Chem. 2016;35(4):898–905. doi:10.1002/etc.3216.
-
(2016)
Environ Toxicol Chem
, vol.35
, Issue.4
, pp. 898-905
-
-
McEachran, A.D.1
Shea, D.2
Bodnar, W.3
Nichols, E.G.4
-
18
-
-
0037085574
-
Pharmaceuticals, hormones, and other organic wastewater contaminants in U.S. streams, 1999-2000: a national reconnaissance
-
COI: 1:CAS:528:DC%2BD38XhslOitLg%3D
-
Kolpin DW, Furlong ET, Meyer MT, Thurman EM, Zaugg SD, Barber LB, et al. Pharmaceuticals, hormones, and other organic wastewater contaminants in U.S. streams, 1999-2000: a national reconnaissance. Environ Sci Technol. 2002;36(6):1202–11.
-
(2002)
Environ Sci Technol
, vol.36
, Issue.6
, pp. 1202-1211
-
-
Kolpin, D.W.1
Furlong, E.T.2
Meyer, M.T.3
Thurman, E.M.4
Zaugg, S.D.5
Barber, L.B.6
-
19
-
-
84873933711
-
Method validation and reconnaissance of pharmaceuticals, personal care products, and alkylphenols in surface waters, sediments, and mussels in an urban estuary
-
COI: 1:CAS:528:DC%2BC3sXktlKktL0%3D
-
Klosterhaus SL, Grace R, Hamilton MC, Yee D. Method validation and reconnaissance of pharmaceuticals, personal care products, and alkylphenols in surface waters, sediments, and mussels in an urban estuary. Environ Int. 2013;54:92–9.
-
(2013)
Environ Int
, vol.54
, pp. 92-99
-
-
Klosterhaus, S.L.1
Grace, R.2
Hamilton, M.C.3
Yee, D.4
-
20
-
-
84979586933
-
PubChem substance and compound databases
-
Kim S, Thiessen PA, Bolton EE, Chen J, Fu G, Gindulyte A, et al. PubChem substance and compound databases. Nucleic Acids Res. 2016;44(D1):D1202–13. doi:10.1093/nar/gkv951.
-
(2016)
Nucleic Acids Res
, vol.44
, Issue.D1
, pp. D1202-D1213
-
-
Kim, S.1
Thiessen, P.A.2
Bolton, E.E.3
Chen, J.4
Fu, G.5
Gindulyte, A.6
-
21
-
-
84925499013
-
Exploring consumer exposure pathways and patterns of use for chemicals in the environment
-
COI: 1:CAS:528:DC%2BC2MXmtlejsLw%3D
-
Dionisio KL, Frame AM, Goldsmith M-R, Wambaugh JF, Liddell A, Cathey T, et al. Exploring consumer exposure pathways and patterns of use for chemicals in the environment. Toxicol Rep. 2015;2:228–37.
-
(2015)
Toxicol Rep
, vol.2
, pp. 228-237
-
-
Dionisio, K.L.1
Frame, A.M.2
Goldsmith, M.-R.3
Wambaugh, J.F.4
Liddell, A.5
Cathey, T.6
-
22
-
-
84977138622
-
CERAPP: collaborative estrogen receptor activity prediction project
-
Mansouri K, Abdelaziz A, Rybacka A, Roncaglioni A, Tropsha A, Varnek A, et al. CERAPP: collaborative estrogen receptor activity prediction project. Environ Health Persp. 2016. doi:10.1289/ehp.1510267.
-
(2016)
Environ Health Persp
-
-
Mansouri, K.1
Abdelaziz, A.2
Rybacka, A.3
Roncaglioni, A.4
Tropsha, A.5
Varnek, A.6
-
23
-
-
85012039398
-
-
RISK-IDENT. STOFF-IDENT. 2013
-
RISK-IDENT. STOFF-IDENT. 2013. http://risk-ident.hswt.de/pages/de/links.php.
-
-
-
-
24
-
-
77954439868
-
MassBank: a public repository for sharing mass spectral data for life sciences
-
COI: 1:CAS:528:DC%2BC3cXovVCgsLg%3D
-
Horai H, Arita M, Kanaya S, Nihei Y, Ikeda T, Suwa K, et al. MassBank: a public repository for sharing mass spectral data for life sciences. J Mass Spectrom. 2010;45(7):703–14. doi:10.1002/jms.1777.
-
(2010)
J Mass Spectrom
, vol.45
, Issue.7
, pp. 703-714
-
-
Horai, H.1
Arita, M.2
Kanaya, S.3
Nihei, Y.4
Ikeda, T.5
Suwa, K.6
-
25
-
-
85012078519
-
-
HighChem. mzCloud. 2016. 16 August 2016
-
HighChem. mzCloud. 2016. https://www.mzcloud.org/. 16 August 2016.
-
-
-
-
26
-
-
77952302069
-
In silico fragmentation for computer assisted identification of metabolite mass spectra
-
Wolf S, Schmidt S, Müller-Hannemann M, Neumann S. In silico fragmentation for computer assisted identification of metabolite mass spectra. BMC Bioinformat. 2010;11(1):1.
-
(2010)
BMC Bioinformat
, vol.11
, Issue.1
, pp. 1
-
-
Wolf, S.1
Schmidt, S.2
Müller-Hannemann, M.3
Neumann, S.4
-
27
-
-
32444432587
-
METLIN: a metabolite mass spectral database
-
COI: 1:CAS:528:DC%2BD2MXhtlSrtr%2FO
-
Smith CA, O’Maille G, Want EJ, Qin C, Trauger SA, Brandon TR, et al. METLIN: a metabolite mass spectral database. Ther Drug Monit. 2005;27(6):747–51.
-
(2005)
Ther Drug Monit
, vol.27
, Issue.6
, pp. 747-751
-
-
Smith, C.A.1
O’Maille, G.2
Want, E.J.3
Qin, C.4
Trauger, S.A.5
Brandon, T.R.6
|