PXD013711-1

PXD013711 is an original dataset announced via ProteomeXchange.

Title	Constructing a Tandem Mass Spectral Library for Forensic Ricin Identification
Description	Ricin, a protein found in castor seeds, is a lethal toxin that is designated as a category 2 select agent. Because castor seeds are easy to obtain and the toxin can be easily extracted, cases of attempted ricin poisoning are relatively common. A shotgun proteomics method for ricin identification has recently been developed (manuscript in preparation), in which ricin peptides are identified by liquid chromatography-tandem mass spectrometry (LC-MS/MS) followed by proteomics database search, and peptide-spectrum matches are verified and compared to standard spectra by a human expert. To make this process more reproducible, objective, and high-throughput, we have created a ricin spectral library for peptide identification to supplement the human review step. To construct these spectral libraries, two pure ricin samples (from a proposed standard reference material) and crude castor seed extracts were digested with trypsin and analyzed using a standard shotgun LC-MS/MS protocol. Spectral libraries were created from the filtered search results from four database search tools. The library was then used in a search using SpectraST on samples from castor seeds. Analysis showed that the spectral library search resulted in more peptides identified from crude castor seed samples compared to MS-GF+ and Sequest plus Percolator. These results suggest that computational comparison of putative ricin peptide spectra to library spectra can be an effective method of confirming the presence of ricin, and that spectral library search may be suitable to augment the more manual and subjective aspects of the currently recommended human expert review.
HostingRepository	PRIDE
AnnounceDate	2019-10-07
AnnouncementXML	Submission_2019-10-07_00:26:07.xml
DigitalObjectIdentifier	https://dx.doi.org/10.6019/PXD013711
ReviewLevel	Peer-reviewed dataset
DatasetOrigin	Original dataset
RepositorySupport	Supported dataset by repository
PrimarySubmitter	Isabelle O'Bryon
SpeciesList	scientific name: Ricinus communis; NCBI TaxID: 3988;
ModificationList	Oxidation; Carbamidomethyl
Instrument	Q Exactive

Revision	Datetime	Status	ChangeLog Entry
0	2019-05-03 05:08:55	ID requested
⏵ 1	2019-10-07 00:26:09	announced

O'Bryon I, Tucker AE, Kaiser BLD, Wahl KL, Merkley ED, Constructing a Tandem Mass Spectral Library for Forensic Ricin Identification. J Proteome Res, 18(11):3926-3935(2019) [pubmed]

submitter keyword: Forensic proteomics, Spectral library, Ricin, Castor, LC-MS/MS

Karen Wahl
contact affiliation	Pacific Northwest National Laboratory
contact email	karen.wahl@pnnl.gov
lab head
Isabelle O'Bryon
contact affiliation	PNNL
contact email	isabelle.obryon@pnnl.gov
dataset submitter

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PRIDE project URI

• PRIDE
  1. PXD013711
     1. Label: PRIDE project
     2. Name: Constructing a Tandem Mass Spectral Library for Forensic Ricin Identification