Summary of Study ST002558
This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001650. The data can be accessed directly via it's Project DOI: 10.21228/M8DX4F This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.
Study ID | ST002558 |
Study Title | Extraction and Untargeted Analysis of Metabolome from Undemineralised Cortical Bone Matrix for Forensic Application |
Study Summary | Untargeted metabolomics has become the gold standard for the profiling of low-molecular-weight compounds. Recently, metabolomics has shown great potential in forensic science in the field of toxicology and postmortem interval estimation. The current study aims to evaluate three extraction protocol and four liquid chromatography coupled with mass spectrometry assays that could offer a valuable tool to identify biomarkers for PMI estimation. One fragment for anterior human skeletal tibia from a 82 years old male individual belonging to the Forensic Anthropology Center - Texas State University collection was powdered and extracted in five replicates to be extracted according to a the biphasic chloroform/methanol/water protocol and two single phase protocols based on methanol/water and methanol/acetonitrile/water. Formal analysis was carried out ThermoFisher Ultimate 3000 HPLC in hydrophilic interaction (HILIC) and reverse phase (RP) liquid chromatography coupled with SCIEX 6600 TripleTOF Q-TOF mass spectrometer. |
Institute | University of Central Lancashire |
Department | Natural Sciences |
Last Name | Bonicelli |
First Name | Andrea |
Address | 1 North Cliff street |
abonicelli@uclan.ac.uk | |
Phone | 07383974949 |
Submit Date | 2023-03-15 |
Num Groups | 3 |
Total Subjects | 1 |
Num Males | 1 |
Raw Data Available | Yes |
Raw Data File Type(s) | mzML |
Analysis Type Detail | LC-MS |
Release Date | 2024-03-17 |
Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Factors:
Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)
mb_sample_id | local_sample_id | class | type |
---|---|---|---|
SA257238 | BLK B_RP_pos | Blank | Blank |
SA257239 | BLK C_Hilic_pos | Blank | Blank |
SA257240 | BLK B_Hilic_pos | Blank | Blank |
SA257241 | BLK A_RP_pos | Blank | Blank |
SA257242 | BLK C_Hilic_neg | Blank | Blank |
SA257243 | BLK A_Hilic_neg | Blank | Blank |
SA257244 | BLK B_Hilic_neg | Blank | Blank |
SA257245 | BLK A_Hilic_pos | Blank | Blank |
SA257246 | BLK C_RP_pos | Blank | Blank |
SA257247 | BLK A_RP_neg | Blank | Blank |
SA257248 | BLK C_RP_neg | Blank | Blank |
SA257249 | BLK B_RP_neg | Blank | Blank |
SA257250 | A1_Hilic_pos | Chlor_Meth | Sample |
SA257251 | A5_Hilic_neg | Chlor_Meth | Sample |
SA257252 | A3_Hilic_neg | Chlor_Meth | Sample |
SA257253 | A4_Hilic_neg | Chlor_Meth | Sample |
SA257254 | A2_RP_pos | Chlor_Meth | Sample |
SA257255 | A3_RP_pos | Chlor_Meth | Sample |
SA257256 | A2_Hilic_neg | Chlor_Meth | Sample |
SA257257 | A3_RP_neg | Chlor_Meth | Sample |
SA257258 | A2_RP_neg | Chlor_Meth | Sample |
SA257259 | A4_RP_neg | Chlor_Meth | Sample |
SA257260 | A5_RP_neg | Chlor_Meth | Sample |
SA257261 | A4_RP_pos | Chlor_Meth | Sample |
SA257262 | A5_RP_pos | Chlor_Meth | Sample |
SA257263 | A1_RP_neg | Chlor_Meth | Sample |
SA257264 | A1_RP_pos | Chlor_Meth | Sample |
SA257265 | A4_Hilic_pos | Chlor_Meth | Sample |
SA257266 | A1_Hilic_neg | Chlor_Meth | Sample |
SA257267 | A3_Hilic_pos | Chlor_Meth | Sample |
SA257268 | A5_Hilic_pos | Chlor_Meth | Sample |
SA257269 | A2_Hilic_pos | Chlor_Meth | Sample |
SA257270 | C1_RP_pos | Meth_ACN | Sample |
SA257271 | C1_Hilic_pos | Meth_ACN | Sample |
SA257272 | C2_Hilic_pos | Meth_ACN | Sample |
SA257273 | C4_Hilic_pos | Meth_ACN | Sample |
SA257274 | C3_Hilic_pos | Meth_ACN | Sample |
SA257275 | C3_RP_pos | Meth_ACN | Sample |
SA257276 | C4_RP_pos | Meth_ACN | Sample |
SA257277 | C1_RP_neg | Meth_ACN | Sample |
SA257278 | C2_RP_neg | Meth_ACN | Sample |
SA257279 | C4_RP_neg | Meth_ACN | Sample |
SA257280 | C5_RP_neg | Meth_ACN | Sample |
SA257281 | C5_RP_pos | Meth_ACN | Sample |
SA257282 | C5_Hilic_pos | Meth_ACN | Sample |
SA257283 | C3_RP_neg | Meth_ACN | Sample |
SA257284 | C2_RP_pos | Meth_ACN | Sample |
SA257285 | C4_Hilic_neg | Meth_ACN | Sample |
SA257286 | C2_Hilic_neg | Meth_ACN | Sample |
SA257287 | C1_Hilic_neg | Meth_ACN | Sample |
SA257288 | C5_Hilic_neg | Meth_ACN | Sample |
SA257289 | C3_Hilic_neg | Meth_ACN | Sample |
SA257290 | B5_RP_neg | Meth_Water | Sample |
SA257291 | B4_RP_neg | Meth_Water | Sample |
SA257292 | B3_RP_neg | Meth_Water | Sample |
SA257293 | B5_Hilic_pos | Meth_Water | Sample |
SA257294 | B1_Hilic_neg | Meth_Water | Sample |
SA257295 | B2_Hilic_neg | Meth_Water | Sample |
SA257296 | B5_Hilic_neg | Meth_Water | Sample |
SA257297 | B4_Hilic_neg | Meth_Water | Sample |
SA257298 | B3_Hilic_neg | Meth_Water | Sample |
SA257299 | B4_Hilic_pos | Meth_Water | Sample |
SA257300 | B3_Hilic_pos | Meth_Water | Sample |
SA257301 | B1_RP_pos | Meth_Water | Sample |
SA257302 | B1_Hilic_pos | Meth_Water | Sample |
SA257303 | B1_RP_neg | Meth_Water | Sample |
SA257304 | B2_RP_neg | Meth_Water | Sample |
SA257305 | B2_RP_pos | Meth_Water | Sample |
SA257306 | B3_RP_pos | Meth_Water | Sample |
SA257307 | B2_Hilic_pos | Meth_Water | Sample |
SA257308 | B5_RP_pos | Meth_Water | Sample |
SA257309 | B4_RP_pos | Meth_Water | Sample |
SA257310 | QC05_Hilic_pos | QC | QC |
SA257311 | QC08_Hilic_pos | QC | QC |
SA257312 | QC01_RP_neg | QC | QC |
SA257313 | QC02_RP_neg | QC | QC |
SA257314 | QC03_RP_neg | QC | QC |
SA257315 | QC04_RP_neg | QC | QC |
SA257316 | QC07_Hilic_pos | QC | QC |
SA257317 | QC06_RP_neg | QC | QC |
SA257318 | QC05_RP_neg | QC | QC |
SA257319 | QC08_RP_neg | QC | QC |
SA257320 | QC07_RP_neg | QC | QC |
SA257321 | QC06_Hilic_pos | QC | QC |
SA257322 | QC07_RP_pos | QC | QC |
SA257323 | QC01_Hilic_pos | QC | QC |
SA257324 | QC04_Hilic_neg | QC | QC |
SA257325 | QC03_Hilic_neg | QC | QC |
SA257326 | QC02_Hilic_pos | QC | QC |
SA257327 | QC03_Hilic_pos | QC | QC |
SA257328 | QC06_Hilic_neg | QC | QC |
SA257329 | QC07_Hilic_neg | QC | QC |
SA257330 | QC08_Hilic_neg | QC | QC |
SA257331 | QC02_Hilic_neg | QC | QC |
SA257332 | QC01_Hilic_neg | QC | QC |
SA257333 | QC05_RP_pos | QC | QC |
SA257334 | QC06_RP_pos | QC | QC |
SA257335 | QC05_Hilic_neg | QC | QC |
SA257336 | QC04_RP_pos | QC | QC |
SA257337 | QC03_RP_pos | QC | QC |