Automated Lipid A Structure Assignment from Hierarchical Tandem Mass Spectrometry Data View Full Text


Ontology type: schema:ScholarlyArticle      Open Access: True


Article Info

DATE

2011-03-05

AUTHORS

Ying S. Ting, Scott A. Shaffer, Jace W. Jones, Wailap V. Ng, Robert K. Ernst, David R. Goodlett

ABSTRACT

Infusion-based electrospray ionization (ESI) coupled to multiple-stage tandem mass spectrometry (MSn) is a standard methodology for investigating lipid A structural diversity (Shaffer et al. J. Am. Soc. Mass. Spectrom. 18(6), 1080–1092, 2007). Annotation of these MSn spectra, however, has remained a manual, expert-driven process. In order to keep up with the data acquisition rates of modern instruments, we devised a computational method to annotate lipid A MSn spectra rapidly and automatically, which we refer to as hierarchical tandem mass spectrometry (HiTMS) algorithm. As a first-pass tool, HiTMS aids expert interpretation of lipid A MSn data by providing the analyst with a set of candidate structures that may then be confirmed or rejected. HiTMS deciphers the signature ions (e.g., A-, Y-, and Z-type ions) and neutral losses of MSn spectra using a species-specific library based on general prior structural knowledge of the given lipid A species under investigation. Candidates are selected by calculating the correlation between theoretical and acquired MSn spectra. At a false discovery rate of less than 0.01, HiTMS correctly assigned 85% of the structures in a library of 133 manually annotated Francisella tularensis subspecies novicida lipid A structures. Additionally, HiTMS correctly assigned 85% of the structures in a smaller library of lipid A species from Yersinia pestis demonstrating that it may be used across species. More... »

PAGES

856-866

References to SciGraph publications

  • 2002-04-01. Qscore: An algorithm for evaluating SEQUEST database search results in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 2009-03-01. The structural basis of lipopolysaccharide recognition by the TLR4–MD-2 complex in NATURE
  • 2005-07. The emerging field of lipidomics in NATURE REVIEWS DRUG DISCOVERY
  • 2010-01-25. Comprehensive structure characterization of lipid a extracted from Yersinia pestis for determination of its phosphorylation configuration in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 2002-11-01. Bacterial strategies for overcoming host innate and adaptive immune responses in NATURE IMMUNOLOGY
  • 2005-01. LPS, TLR4 and infectious disease diversity in NATURE REVIEWS MICROBIOLOGY
  • 2007-06-01. Structural heterogeneity and environmentally regulated remodeling of Francisella tularensis subspecies novicida lipid a characterized by tandem mass spectrometry in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 2007-10-01. Algorithm for processing raw mass spectrometric data to identify and quantitate complex lipid molecular species in mixtures by data-dependent scanning and fragment ion database searching in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 1988-12. A systematic nomenclature for carbohydrate fragmentations in FAB-MS/MS spectra of glycoconjugates in GLYCOCONJUGATE JOURNAL
  • 1994-11-01. An approach to correlate tandem mass spectral data of peptides with amino acid sequences in a protein database in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • Identifiers

    URI

    http://scigraph.springernature.com/pub.10.1007/s13361-010-0055-y

    DOI

    http://dx.doi.org/10.1007/s13361-010-0055-y

    DIMENSIONS

    https://app.dimensions.ai/details/publication/pub.1027420390

    PUBMED

    https://www.ncbi.nlm.nih.gov/pubmed/21472520


    Indexing Status Check whether this publication has been indexed by Scopus and Web Of Science using the SN Indexing Status Tool
    Incoming Citations Browse incoming citations for this publication using opencitations.net

    JSON-LD is the canonical representation for SciGraph data.

    TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT

    [
      {
        "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
        "about": [
          {
            "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/03", 
            "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
            "name": "Chemical Sciences", 
            "type": "DefinedTerm"
          }, 
          {
            "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0301", 
            "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
            "name": "Analytical Chemistry", 
            "type": "DefinedTerm"
          }, 
          {
            "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0304", 
            "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
            "name": "Medicinal and Biomolecular Chemistry", 
            "type": "DefinedTerm"
          }, 
          {
            "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0306", 
            "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
            "name": "Physical Chemistry (incl. Structural)", 
            "type": "DefinedTerm"
          }, 
          {
            "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
            "name": "Algorithms", 
            "type": "DefinedTerm"
          }, 
          {
            "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
            "name": "Computational Biology", 
            "type": "DefinedTerm"
          }, 
          {
            "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
            "name": "Databases, Factual", 
            "type": "DefinedTerm"
          }, 
          {
            "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
            "name": "Francisella tularensis", 
            "type": "DefinedTerm"
          }, 
          {
            "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
            "name": "Lipid A", 
            "type": "DefinedTerm"
          }, 
          {
            "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
            "name": "Species Specificity", 
            "type": "DefinedTerm"
          }, 
          {
            "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
            "name": "Tandem Mass Spectrometry", 
            "type": "DefinedTerm"
          }, 
          {
            "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
            "name": "Yersinia pestis", 
            "type": "DefinedTerm"
          }
        ], 
        "author": [
          {
            "affiliation": {
              "alternateName": "Department of Medicinal Chemistry, University of Washington, Box 357610, 98195-7610, Seattle, WA, USA", 
              "id": "http://www.grid.ac/institutes/grid.34477.33", 
              "name": [
                "Department of Medicinal Chemistry, University of Washington, Box 357610, 98195-7610, Seattle, WA, USA"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Ting", 
            "givenName": "Ying S.", 
            "id": "sg:person.01366775517.40", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01366775517.40"
            ], 
            "type": "Person"
          }, 
          {
            "affiliation": {
              "alternateName": "University of Massachusetts, Medical School, Worcester, MA, USA", 
              "id": "http://www.grid.ac/institutes/grid.168645.8", 
              "name": [
                "Department of Medicinal Chemistry, University of Washington, Box 357610, 98195-7610, Seattle, WA, USA", 
                "University of Massachusetts, Medical School, Worcester, MA, USA"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Shaffer", 
            "givenName": "Scott A.", 
            "id": "sg:person.0607112645.93", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0607112645.93"
            ], 
            "type": "Person"
          }, 
          {
            "affiliation": {
              "alternateName": "Jones Environmental, Inc., Fullerton, CA, USA", 
              "id": "http://www.grid.ac/institutes/None", 
              "name": [
                "Department of Medicinal Chemistry, University of Washington, Box 357610, 98195-7610, Seattle, WA, USA", 
                "Jones Environmental, Inc., Fullerton, CA, USA"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Jones", 
            "givenName": "Jace W.", 
            "id": "sg:person.01254511631.97", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01254511631.97"
            ], 
            "type": "Person"
          }, 
          {
            "affiliation": {
              "alternateName": "Department of Biotechnology and Laboratory Science in Medicine, Institute of Biotechnology in Medicine, Institute of Biomedical Informatics, and Center for Systems and Synthetic Biology, National Yang Ming University, Taipei, Taiwan", 
              "id": "http://www.grid.ac/institutes/grid.260539.b", 
              "name": [
                "Department of Biotechnology and Laboratory Science in Medicine, Institute of Biotechnology in Medicine, Institute of Biomedical Informatics, and Center for Systems and Synthetic Biology, National Yang Ming University, Taipei, Taiwan"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Ng", 
            "givenName": "Wailap V.", 
            "id": "sg:person.012237351357.45", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012237351357.45"
            ], 
            "type": "Person"
          }, 
          {
            "affiliation": {
              "alternateName": "Department of Microbial Pathogenesis, University of Maryland, Baltimore, MD, USA", 
              "id": "http://www.grid.ac/institutes/grid.411024.2", 
              "name": [
                "Department of Microbial Pathogenesis, University of Maryland, Baltimore, MD, USA"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Ernst", 
            "givenName": "Robert K.", 
            "id": "sg:person.01105703045.52", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01105703045.52"
            ], 
            "type": "Person"
          }, 
          {
            "affiliation": {
              "alternateName": "Department of Medicinal Chemistry, University of Washington, Box 357610, 98195-7610, Seattle, WA, USA", 
              "id": "http://www.grid.ac/institutes/grid.34477.33", 
              "name": [
                "Department of Medicinal Chemistry, University of Washington, Box 357610, 98195-7610, Seattle, WA, USA"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Goodlett", 
            "givenName": "David R.", 
            "id": "sg:person.01044126157.13", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01044126157.13"
            ], 
            "type": "Person"
          }
        ], 
        "citation": [
          {
            "id": "sg:pub.10.1016/1044-0305(94)80016-2", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1018629105", 
              "https://doi.org/10.1016/1044-0305(94)80016-2"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1016/j.jasms.2007.07.023", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1043686881", 
              "https://doi.org/10.1016/j.jasms.2007.07.023"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1038/nrd1776", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1036491584", 
              "https://doi.org/10.1038/nrd1776"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1016/j.jasms.2007.03.008", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1021652196", 
              "https://doi.org/10.1016/j.jasms.2007.03.008"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1016/j.jasms.2010.01.008", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1003632008", 
              "https://doi.org/10.1016/j.jasms.2010.01.008"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1016/s1044-0305(02)00352-5", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1013471407", 
              "https://doi.org/10.1016/s1044-0305(02)00352-5"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1007/bf01049915", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1030552415", 
              "https://doi.org/10.1007/bf01049915"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1038/ni1102-1033", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1038464800", 
              "https://doi.org/10.1038/ni1102-1033"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1038/nrmicro1068", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1001582007", 
              "https://doi.org/10.1038/nrmicro1068"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1038/nature07830", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1053690209", 
              "https://doi.org/10.1038/nature07830"
            ], 
            "type": "CreativeWork"
          }
        ], 
        "datePublished": "2011-03-05", 
        "datePublishedReg": "2011-03-05", 
        "description": "Infusion-based electrospray ionization (ESI) coupled to multiple-stage tandem mass spectrometry (MSn) is a standard methodology for investigating lipid A structural diversity (Shaffer et al. J. Am. Soc. Mass. Spectrom. 18(6), 1080\u20131092, 2007). Annotation of these MSn spectra, however, has remained a manual, expert-driven process. In order to keep up with the data acquisition rates of modern instruments, we devised a computational method to annotate lipid A MSn spectra rapidly and automatically, which we refer to as hierarchical tandem mass spectrometry (HiTMS) algorithm. As a first-pass tool, HiTMS aids expert interpretation of lipid A MSn data by providing the analyst with a set of candidate structures that may then be confirmed or rejected. HiTMS deciphers the signature ions (e.g., A-, Y-, and Z-type ions) and neutral losses of MSn spectra using a species-specific library based on general prior structural knowledge of the given lipid A species under investigation. Candidates are selected by calculating the correlation between theoretical and acquired MSn spectra. At a false discovery rate of less than 0.01, HiTMS correctly assigned 85% of the structures in a library of 133 manually annotated Francisella tularensis subspecies novicida lipid A structures. Additionally, HiTMS correctly assigned 85% of the structures in a smaller library of lipid A species from Yersinia pestis demonstrating that it may be used across species.", 
        "genre": "article", 
        "id": "sg:pub.10.1007/s13361-010-0055-y", 
        "isAccessibleForFree": true, 
        "isFundedItemOf": [
          {
            "id": "sg:grant.2439101", 
            "type": "MonetaryGrant"
          }, 
          {
            "id": "sg:grant.2674473", 
            "type": "MonetaryGrant"
          }, 
          {
            "id": "sg:grant.2698976", 
            "type": "MonetaryGrant"
          }
        ], 
        "isPartOf": [
          {
            "id": "sg:journal.1100508", 
            "issn": [
              "1044-0305", 
              "1879-1123"
            ], 
            "name": "Journal of The American Society for Mass Spectrometry", 
            "publisher": "American Chemical Society (ACS)", 
            "type": "Periodical"
          }, 
          {
            "issueNumber": "5", 
            "type": "PublicationIssue"
          }, 
          {
            "type": "PublicationVolume", 
            "volumeNumber": "22"
          }
        ], 
        "keywords": [
          "multiple-stage tandem mass spectrometry", 
          "MSn spectra", 
          "electrospray ionization", 
          "tandem mass spectrometry", 
          "species-specific libraries", 
          "MSn data", 
          "mass spectrometry data", 
          "signature ions", 
          "neutral loss", 
          "tandem mass spectrometry data", 
          "mass spectrometry", 
          "structure assignment", 
          "small library", 
          "structural diversity", 
          "spectrometry data", 
          "candidate structures", 
          "prior structural knowledge", 
          "Yersinia pestis", 
          "false discovery rate", 
          "species", 
          "spectra", 
          "structural knowledge", 
          "Francisella tularensis", 
          "discovery rate", 
          "computational methods", 
          "lipids", 
          "structure", 
          "spectrometry", 
          "ions", 
          "library", 
          "novicida", 
          "ionization", 
          "diversity", 
          "modern instruments", 
          "pestis", 
          "annotation", 
          "expert-driven process", 
          "tularensis", 
          "data acquisition rate", 
          "assignment", 
          "candidates", 
          "investigation", 
          "process", 
          "loss", 
          "method", 
          "standard methodology", 
          "expert interpretation", 
          "data", 
          "rate", 
          "knowledge", 
          "order", 
          "tool", 
          "methodology", 
          "acquisition rate", 
          "algorithm", 
          "set", 
          "correlation", 
          "analysts", 
          "interpretation", 
          "instrument", 
          "manual"
        ], 
        "name": "Automated Lipid A Structure Assignment from Hierarchical Tandem Mass Spectrometry Data", 
        "pagination": "856-866", 
        "productId": [
          {
            "name": "dimensions_id", 
            "type": "PropertyValue", 
            "value": [
              "pub.1027420390"
            ]
          }, 
          {
            "name": "doi", 
            "type": "PropertyValue", 
            "value": [
              "10.1007/s13361-010-0055-y"
            ]
          }, 
          {
            "name": "pubmed_id", 
            "type": "PropertyValue", 
            "value": [
              "21472520"
            ]
          }
        ], 
        "sameAs": [
          "https://doi.org/10.1007/s13361-010-0055-y", 
          "https://app.dimensions.ai/details/publication/pub.1027420390"
        ], 
        "sdDataset": "articles", 
        "sdDatePublished": "2022-12-01T06:29", 
        "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
        "sdPublisher": {
          "name": "Springer Nature - SN SciGraph project", 
          "type": "Organization"
        }, 
        "sdSource": "s3://com-springernature-scigraph/baseset/20221201/entities/gbq_results/article/article_544.jsonl", 
        "type": "ScholarlyArticle", 
        "url": "https://doi.org/10.1007/s13361-010-0055-y"
      }
    ]
     

    Download the RDF metadata as:  json-ld nt turtle xml License info

    HOW TO GET THIS DATA PROGRAMMATICALLY:

    JSON-LD is a popular format for linked data which is fully compatible with JSON.

    curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1007/s13361-010-0055-y'

    N-Triples is a line-based linked data format ideal for batch operations.

    curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1007/s13361-010-0055-y'

    Turtle is a human-readable linked data format.

    curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1007/s13361-010-0055-y'

    RDF/XML is a standard XML format for linked data.

    curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1007/s13361-010-0055-y'


     

    This table displays all metadata directly associated to this object as RDF triples.

    257 TRIPLES      21 PREDICATES      106 URIs      86 LITERALS      15 BLANK NODES

    Subject Predicate Object
    1 sg:pub.10.1007/s13361-010-0055-y schema:about N012079f99a074193b1944122789426a8
    2 N076790113cff499abc985739c270cdf3
    3 N0bebe70db5e54708b11a6517ffc0107c
    4 N25720955e3d04ac78d0daa6ed4d83ce3
    5 N49422e9532cd45d0bdcea3ef92d9e6bb
    6 Na1fd00ead73d4d6885d9df941678b802
    7 Nbb9de532d48240ca959ed189cffb1b67
    8 Ncfb48968314c4ad19e072bacb827e442
    9 anzsrc-for:03
    10 anzsrc-for:0301
    11 anzsrc-for:0304
    12 anzsrc-for:0306
    13 schema:author Nf57cff61715e49d88ed04681b63a06a2
    14 schema:citation sg:pub.10.1007/bf01049915
    15 sg:pub.10.1016/1044-0305(94)80016-2
    16 sg:pub.10.1016/j.jasms.2007.03.008
    17 sg:pub.10.1016/j.jasms.2007.07.023
    18 sg:pub.10.1016/j.jasms.2010.01.008
    19 sg:pub.10.1016/s1044-0305(02)00352-5
    20 sg:pub.10.1038/nature07830
    21 sg:pub.10.1038/ni1102-1033
    22 sg:pub.10.1038/nrd1776
    23 sg:pub.10.1038/nrmicro1068
    24 schema:datePublished 2011-03-05
    25 schema:datePublishedReg 2011-03-05
    26 schema:description Infusion-based electrospray ionization (ESI) coupled to multiple-stage tandem mass spectrometry (MSn) is a standard methodology for investigating lipid A structural diversity (Shaffer et al. J. Am. Soc. Mass. Spectrom. 18(6), 1080–1092, 2007). Annotation of these MSn spectra, however, has remained a manual, expert-driven process. In order to keep up with the data acquisition rates of modern instruments, we devised a computational method to annotate lipid A MSn spectra rapidly and automatically, which we refer to as hierarchical tandem mass spectrometry (HiTMS) algorithm. As a first-pass tool, HiTMS aids expert interpretation of lipid A MSn data by providing the analyst with a set of candidate structures that may then be confirmed or rejected. HiTMS deciphers the signature ions (e.g., A-, Y-, and Z-type ions) and neutral losses of MSn spectra using a species-specific library based on general prior structural knowledge of the given lipid A species under investigation. Candidates are selected by calculating the correlation between theoretical and acquired MSn spectra. At a false discovery rate of less than 0.01, HiTMS correctly assigned 85% of the structures in a library of 133 manually annotated Francisella tularensis subspecies novicida lipid A structures. Additionally, HiTMS correctly assigned 85% of the structures in a smaller library of lipid A species from Yersinia pestis demonstrating that it may be used across species.
    27 schema:genre article
    28 schema:isAccessibleForFree true
    29 schema:isPartOf Na8416e5180b649858e611fc494f521a3
    30 Nfa88c18d9e3740fc9e704a6f834d2a88
    31 sg:journal.1100508
    32 schema:keywords Francisella tularensis
    33 MSn data
    34 MSn spectra
    35 Yersinia pestis
    36 acquisition rate
    37 algorithm
    38 analysts
    39 annotation
    40 assignment
    41 candidate structures
    42 candidates
    43 computational methods
    44 correlation
    45 data
    46 data acquisition rate
    47 discovery rate
    48 diversity
    49 electrospray ionization
    50 expert interpretation
    51 expert-driven process
    52 false discovery rate
    53 instrument
    54 interpretation
    55 investigation
    56 ionization
    57 ions
    58 knowledge
    59 library
    60 lipids
    61 loss
    62 manual
    63 mass spectrometry
    64 mass spectrometry data
    65 method
    66 methodology
    67 modern instruments
    68 multiple-stage tandem mass spectrometry
    69 neutral loss
    70 novicida
    71 order
    72 pestis
    73 prior structural knowledge
    74 process
    75 rate
    76 set
    77 signature ions
    78 small library
    79 species
    80 species-specific libraries
    81 spectra
    82 spectrometry
    83 spectrometry data
    84 standard methodology
    85 structural diversity
    86 structural knowledge
    87 structure
    88 structure assignment
    89 tandem mass spectrometry
    90 tandem mass spectrometry data
    91 tool
    92 tularensis
    93 schema:name Automated Lipid A Structure Assignment from Hierarchical Tandem Mass Spectrometry Data
    94 schema:pagination 856-866
    95 schema:productId N317a039cb89b493e8d7e7bcf83880c87
    96 N33f7beeb12bd479791fdb0775442e2cc
    97 N87784ff931d2470bb9e33e74923dc102
    98 schema:sameAs https://app.dimensions.ai/details/publication/pub.1027420390
    99 https://doi.org/10.1007/s13361-010-0055-y
    100 schema:sdDatePublished 2022-12-01T06:29
    101 schema:sdLicense https://scigraph.springernature.com/explorer/license/
    102 schema:sdPublisher N2a7a3763f7e5478686342719dc7b1a1c
    103 schema:url https://doi.org/10.1007/s13361-010-0055-y
    104 sgo:license sg:explorer/license/
    105 sgo:sdDataset articles
    106 rdf:type schema:ScholarlyArticle
    107 N012079f99a074193b1944122789426a8 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
    108 schema:name Computational Biology
    109 rdf:type schema:DefinedTerm
    110 N076790113cff499abc985739c270cdf3 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
    111 schema:name Databases, Factual
    112 rdf:type schema:DefinedTerm
    113 N0b4b4f705d7f4ce0b7bec97d0f17fd1b rdf:first sg:person.01105703045.52
    114 rdf:rest N7e56fa61bc394707865374f9426d0b10
    115 N0bebe70db5e54708b11a6517ffc0107c schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
    116 schema:name Francisella tularensis
    117 rdf:type schema:DefinedTerm
    118 N25720955e3d04ac78d0daa6ed4d83ce3 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
    119 schema:name Yersinia pestis
    120 rdf:type schema:DefinedTerm
    121 N2a7a3763f7e5478686342719dc7b1a1c schema:name Springer Nature - SN SciGraph project
    122 rdf:type schema:Organization
    123 N317a039cb89b493e8d7e7bcf83880c87 schema:name pubmed_id
    124 schema:value 21472520
    125 rdf:type schema:PropertyValue
    126 N33f7beeb12bd479791fdb0775442e2cc schema:name doi
    127 schema:value 10.1007/s13361-010-0055-y
    128 rdf:type schema:PropertyValue
    129 N38740f44bab340599708ec77f773bd6c rdf:first sg:person.012237351357.45
    130 rdf:rest N0b4b4f705d7f4ce0b7bec97d0f17fd1b
    131 N3890c86432554ca6ac068a86beee571a rdf:first sg:person.01254511631.97
    132 rdf:rest N38740f44bab340599708ec77f773bd6c
    133 N49422e9532cd45d0bdcea3ef92d9e6bb schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
    134 schema:name Lipid A
    135 rdf:type schema:DefinedTerm
    136 N7e56fa61bc394707865374f9426d0b10 rdf:first sg:person.01044126157.13
    137 rdf:rest rdf:nil
    138 N87784ff931d2470bb9e33e74923dc102 schema:name dimensions_id
    139 schema:value pub.1027420390
    140 rdf:type schema:PropertyValue
    141 Na1fd00ead73d4d6885d9df941678b802 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
    142 schema:name Tandem Mass Spectrometry
    143 rdf:type schema:DefinedTerm
    144 Na8416e5180b649858e611fc494f521a3 schema:issueNumber 5
    145 rdf:type schema:PublicationIssue
    146 Nbb9de532d48240ca959ed189cffb1b67 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
    147 schema:name Algorithms
    148 rdf:type schema:DefinedTerm
    149 Ncfb48968314c4ad19e072bacb827e442 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
    150 schema:name Species Specificity
    151 rdf:type schema:DefinedTerm
    152 Ndaba79ab45a345aea3b0ebe9c25a681b rdf:first sg:person.0607112645.93
    153 rdf:rest N3890c86432554ca6ac068a86beee571a
    154 Nf57cff61715e49d88ed04681b63a06a2 rdf:first sg:person.01366775517.40
    155 rdf:rest Ndaba79ab45a345aea3b0ebe9c25a681b
    156 Nfa88c18d9e3740fc9e704a6f834d2a88 schema:volumeNumber 22
    157 rdf:type schema:PublicationVolume
    158 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
    159 schema:name Chemical Sciences
    160 rdf:type schema:DefinedTerm
    161 anzsrc-for:0301 schema:inDefinedTermSet anzsrc-for:
    162 schema:name Analytical Chemistry
    163 rdf:type schema:DefinedTerm
    164 anzsrc-for:0304 schema:inDefinedTermSet anzsrc-for:
    165 schema:name Medicinal and Biomolecular Chemistry
    166 rdf:type schema:DefinedTerm
    167 anzsrc-for:0306 schema:inDefinedTermSet anzsrc-for:
    168 schema:name Physical Chemistry (incl. Structural)
    169 rdf:type schema:DefinedTerm
    170 sg:grant.2439101 http://pending.schema.org/fundedItem sg:pub.10.1007/s13361-010-0055-y
    171 rdf:type schema:MonetaryGrant
    172 sg:grant.2674473 http://pending.schema.org/fundedItem sg:pub.10.1007/s13361-010-0055-y
    173 rdf:type schema:MonetaryGrant
    174 sg:grant.2698976 http://pending.schema.org/fundedItem sg:pub.10.1007/s13361-010-0055-y
    175 rdf:type schema:MonetaryGrant
    176 sg:journal.1100508 schema:issn 1044-0305
    177 1879-1123
    178 schema:name Journal of The American Society for Mass Spectrometry
    179 schema:publisher American Chemical Society (ACS)
    180 rdf:type schema:Periodical
    181 sg:person.01044126157.13 schema:affiliation grid-institutes:grid.34477.33
    182 schema:familyName Goodlett
    183 schema:givenName David R.
    184 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01044126157.13
    185 rdf:type schema:Person
    186 sg:person.01105703045.52 schema:affiliation grid-institutes:grid.411024.2
    187 schema:familyName Ernst
    188 schema:givenName Robert K.
    189 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01105703045.52
    190 rdf:type schema:Person
    191 sg:person.012237351357.45 schema:affiliation grid-institutes:grid.260539.b
    192 schema:familyName Ng
    193 schema:givenName Wailap V.
    194 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012237351357.45
    195 rdf:type schema:Person
    196 sg:person.01254511631.97 schema:affiliation grid-institutes:None
    197 schema:familyName Jones
    198 schema:givenName Jace W.
    199 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01254511631.97
    200 rdf:type schema:Person
    201 sg:person.01366775517.40 schema:affiliation grid-institutes:grid.34477.33
    202 schema:familyName Ting
    203 schema:givenName Ying S.
    204 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01366775517.40
    205 rdf:type schema:Person
    206 sg:person.0607112645.93 schema:affiliation grid-institutes:grid.168645.8
    207 schema:familyName Shaffer
    208 schema:givenName Scott A.
    209 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0607112645.93
    210 rdf:type schema:Person
    211 sg:pub.10.1007/bf01049915 schema:sameAs https://app.dimensions.ai/details/publication/pub.1030552415
    212 https://doi.org/10.1007/bf01049915
    213 rdf:type schema:CreativeWork
    214 sg:pub.10.1016/1044-0305(94)80016-2 schema:sameAs https://app.dimensions.ai/details/publication/pub.1018629105
    215 https://doi.org/10.1016/1044-0305(94)80016-2
    216 rdf:type schema:CreativeWork
    217 sg:pub.10.1016/j.jasms.2007.03.008 schema:sameAs https://app.dimensions.ai/details/publication/pub.1021652196
    218 https://doi.org/10.1016/j.jasms.2007.03.008
    219 rdf:type schema:CreativeWork
    220 sg:pub.10.1016/j.jasms.2007.07.023 schema:sameAs https://app.dimensions.ai/details/publication/pub.1043686881
    221 https://doi.org/10.1016/j.jasms.2007.07.023
    222 rdf:type schema:CreativeWork
    223 sg:pub.10.1016/j.jasms.2010.01.008 schema:sameAs https://app.dimensions.ai/details/publication/pub.1003632008
    224 https://doi.org/10.1016/j.jasms.2010.01.008
    225 rdf:type schema:CreativeWork
    226 sg:pub.10.1016/s1044-0305(02)00352-5 schema:sameAs https://app.dimensions.ai/details/publication/pub.1013471407
    227 https://doi.org/10.1016/s1044-0305(02)00352-5
    228 rdf:type schema:CreativeWork
    229 sg:pub.10.1038/nature07830 schema:sameAs https://app.dimensions.ai/details/publication/pub.1053690209
    230 https://doi.org/10.1038/nature07830
    231 rdf:type schema:CreativeWork
    232 sg:pub.10.1038/ni1102-1033 schema:sameAs https://app.dimensions.ai/details/publication/pub.1038464800
    233 https://doi.org/10.1038/ni1102-1033
    234 rdf:type schema:CreativeWork
    235 sg:pub.10.1038/nrd1776 schema:sameAs https://app.dimensions.ai/details/publication/pub.1036491584
    236 https://doi.org/10.1038/nrd1776
    237 rdf:type schema:CreativeWork
    238 sg:pub.10.1038/nrmicro1068 schema:sameAs https://app.dimensions.ai/details/publication/pub.1001582007
    239 https://doi.org/10.1038/nrmicro1068
    240 rdf:type schema:CreativeWork
    241 grid-institutes:None schema:alternateName Jones Environmental, Inc., Fullerton, CA, USA
    242 schema:name Department of Medicinal Chemistry, University of Washington, Box 357610, 98195-7610, Seattle, WA, USA
    243 Jones Environmental, Inc., Fullerton, CA, USA
    244 rdf:type schema:Organization
    245 grid-institutes:grid.168645.8 schema:alternateName University of Massachusetts, Medical School, Worcester, MA, USA
    246 schema:name Department of Medicinal Chemistry, University of Washington, Box 357610, 98195-7610, Seattle, WA, USA
    247 University of Massachusetts, Medical School, Worcester, MA, USA
    248 rdf:type schema:Organization
    249 grid-institutes:grid.260539.b schema:alternateName Department of Biotechnology and Laboratory Science in Medicine, Institute of Biotechnology in Medicine, Institute of Biomedical Informatics, and Center for Systems and Synthetic Biology, National Yang Ming University, Taipei, Taiwan
    250 schema:name Department of Biotechnology and Laboratory Science in Medicine, Institute of Biotechnology in Medicine, Institute of Biomedical Informatics, and Center for Systems and Synthetic Biology, National Yang Ming University, Taipei, Taiwan
    251 rdf:type schema:Organization
    252 grid-institutes:grid.34477.33 schema:alternateName Department of Medicinal Chemistry, University of Washington, Box 357610, 98195-7610, Seattle, WA, USA
    253 schema:name Department of Medicinal Chemistry, University of Washington, Box 357610, 98195-7610, Seattle, WA, USA
    254 rdf:type schema:Organization
    255 grid-institutes:grid.411024.2 schema:alternateName Department of Microbial Pathogenesis, University of Maryland, Baltimore, MD, USA
    256 schema:name Department of Microbial Pathogenesis, University of Maryland, Baltimore, MD, USA
    257 rdf:type schema:Organization
     




    Preview window. Press ESC to close (or click here)


    ...