Using online chemistry databases to facilitate structure identification in mass spectral data

被引:0
|
作者
Williams, Antony [1 ]
Tkachenko, Valery [2 ]
Pshenichnov, Alexey [1 ]
机构
[1] Royal Soc Chem, Cheminformat, Wake Forest, NC USA
[2] Royal Soc Chem, Cheminformat, Rockville, MD USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
45
引用
收藏
页数:1
相关论文
共 50 条
  • [21] IDENTIFICATION OF THE MAIN FLAVONOIDS BY USE OF CHROMATOGRAPHIC, ELECTROPHORETIC, AND ONLINE SPECTRAL DATA
    PIETTA, PG
    MAURI, PL
    GARDANA, C
    [J]. HRC-JOURNAL OF HIGH RESOLUTION CHROMATOGRAPHY, 1994, 17 (08): : 616 - 618
  • [22] USING DIALINDEX FOR THE IDENTIFICATION OF ONLINE DATABASES RELEVANT TO URBAN AND REGIONAL-PLANNING
    BYLER, AM
    RAVENHALL, M
    [J]. ONLINE REVIEW, 1988, 12 (02): : 119 - 133
  • [23] Identification of New Psychoactive Substances in Seizedmaterial Using UHPLC QTOF-MS and An Online Mass Spectral Database
    von Cupper, Maria
    Dalsgaard, Petur Weihe
    Linnet, Kristian
    [J]. JOURNAL OF ANALYTICAL TOXICOLOGY, 2020, 44 (09) : 1047 - 1051
  • [24] Xylene isomer mass spectral identification through metal ion chemistry in an FTICR
    Bjarnason, A
    [J]. ANALYTICAL CHEMISTRY, 1996, 68 (21) : 3882 - 3883
  • [25] Effiecint Online Sharing of Geospatial Big Data Using NoSQL XML Databases
    Amirian, Pouria
    Basiri, Anahid
    Winstanley, Adam
    [J]. 2013 FOURTH INTERNATIONAL CONFERENCE ON COMPUTING FOR GEOSPATIAL RESEARCH AND APPLICATION (COM.GEO), 2013, : 152 - 152
  • [26] Improved Landcover Classification using Online Spectral Data Hallucination
    Kumar, Saurabh
    Banerjee, Biplab
    Chaudhuri, Subhasis
    [J]. NEUROCOMPUTING, 2021, 439 : 316 - 326
  • [27] RADIATION CHEMISTRY OF PROPANOL .2. CORRELATION OF MASS SPECTRAL AND RADIOLYSIS DATA
    BASSON, RA
    VANDERLI.HJ
    [J]. JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (11): : 1618 - &
  • [28] Identification of "Known Unknowns" Utilizing Accurate Mass Data and Chemical Abstracts Service Databases
    Little, James L.
    Cleven, Curtis D.
    Brown, Stacy D.
    [J]. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 2011, 22 (02) : 348 - 359
  • [29] EPA iCSS Chemistry dashboard to support compound identification using high resolution mass spectrometry data
    Williams, Antony
    Sobus, Jon
    Mansouri, Kamel
    Strynar, Mark
    Ulrich, Elin
    Grulke, Christopher
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 252
  • [30] Using a structure envelope to facilitate structure solution from powder diffraction data
    Brenner, S
    McCusker, LB
    Baerlocher, C
    [J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1997, 30 : 1167 - 1172