#METABOLOMICS WORKBENCH adinda_OU_20220307_230531_mwtab.txt DATATRACK_ID:3116 STUDY_ID:ST002144 ANALYSIS_ID:AN003509 PROJECT_ID:PR001358 VERSION 1 CREATED_ON March 7, 2022, 11:10 pm #PROJECT PR:PROJECT_TITLE Structure-based non-targeted mass spectrometry imaging analysis of dried long PR:PROJECT_TITLE pepper PR:PROJECT_TYPE Non-targeted mass spectrometry imaging of dried long pepper PR:PROJECT_SUMMARY The attached MSI datasets of dried long pepper sections were analyzed in the PR:PROJECT_SUMMARY manuscript by Wisman et al. Below is taken from the abstract: Many studies have PR:PROJECT_SUMMARY applied multivariate analysis to mass spectrometry imaging (MSI) data to PR:PROJECT_SUMMARY differentiate structures in a sample based on information of compound spatial PR:PROJECT_SUMMARY distribution. However, the actual distribution of individual compounds remains PR:PROJECT_SUMMARY poorly documented, especially in plant samples. Here, a detailed non-targeted PR:PROJECT_SUMMARY approach for plant sample analysis applied for the study of compound PR:PROJECT_SUMMARY distribution in the medicinal species, long pepper, which has complicated PR:PROJECT_SUMMARY internal structure. Principal component analysis (PCA) discriminated between the PR:PROJECT_SUMMARY seed and pericarp regions, resulting in peaks that were closely associated with PR:PROJECT_SUMMARY each region. Investigation of these peaks revealed slight but potentially PR:PROJECT_SUMMARY important distribution differences between them, despite sharing the same PR:PROJECT_SUMMARY accumulation profile in a region. Furthermore, piperamides such as piperine and PR:PROJECT_SUMMARY piperlonguminine were among the compounds closely associated with the pericarp PR:PROJECT_SUMMARY region. This is the first study to report the utilization of PCA for spatial PR:PROJECT_SUMMARY feature extraction and the localization of piperamides in dried long pepper. PR:INSTITUTE Osaka University PR:DEPARTMENT Biotechnology PR:LABORATORY Bioresource Engineering PR:LAST_NAME Shimma PR:FIRST_NAME Shuichi PR:ADDRESS Yamadaoka 2-1, Suita, Osaka, Japan PR:EMAIL sshimma@bio.eng.osaka-u.ac.jp PR:PHONE +8106-6879-4170 #STUDY ST:STUDY_TITLE Structure-based non-targeted mass spectrometry imaging analysis of dried long ST:STUDY_TITLE pepper ST:STUDY_SUMMARY The dried long pepper was analyzed by MALDI-MSI IT-TOF. Please refer to the ST:STUDY_SUMMARY manuscript by Wisman et al. for detailed information. ST:INSTITUTE Osaka University ST:DEPARTMENT Biotechnology ST:LABORATORY Bioresource Engineering ST:LAST_NAME Shimma ST:FIRST_NAME Shuichi ST:ADDRESS Yamadaoka 2-1, Suita, Osaka, Japan ST:EMAIL sshimma@bio.eng.osaka-u.ac.jp ST:PHONE +8106-6879-4170 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Piper longum SU:TAXONOMY_ID 49511 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - LP010 Analysis Type:Non-targeted Sample Type=Long pepper; RAW_FILE_NAME=LP010_scan.zip SUBJECT_SAMPLE_FACTORS - M01 Analysis Type:Non-targeted Sample Type=Matrix; RAW_FILE_NAME=M01_scan.zip SUBJECT_SAMPLE_FACTORS - LP011 Analysis Type:MS/MS Sample Type=Long pepper; RAW_FILE_NAME=MSMS_274.zip SUBJECT_SAMPLE_FACTORS - LP012 Analysis Type:MS/MS Sample Type=Long pepper; RAW_FILE_NAME=MSMS_286.zip SUBJECT_SAMPLE_FACTORS - LP013 Analysis Type:MS/MS Sample Type=Long pepper; RAW_FILE_NAME=MSMS_340.zip #COLLECTION CO:COLLECTION_SUMMARY As stated in the manuscript: Dried fruits of P. longum were obtained from S&B CO:COLLECTION_SUMMARY Foods and kept in a dry container at around 25 °C. CO:SAMPLE_TYPE Dried long pepper CO:STORAGE_CONDITIONS Room temperature #TREATMENT TR:TREATMENT_SUMMARY N/A #SAMPLEPREP SP:SAMPLEPREP_SUMMARY As stated in the manuscript: A dried long pepper was appropriately cut to small SP:SAMPLEPREP_SUMMARY pieces before embedding horizontally in 4% carboxymethyl cellulose and freezing SP:SAMPLEPREP_SUMMARY at −80 °C. The frozen block was then attached to a sample holder with an SP:SAMPLEPREP_SUMMARY optimal cutting temperature compound for sectioning inside a cryostat at −20 SP:SAMPLEPREP_SUMMARY °C. Longitudinal sections 20 µm thick were collected using an adhesive SP:SAMPLEPREP_SUMMARY cryofilm (type II C(10), SECTION-LAB, Hiroshima, Japan). The collected sections SP:SAMPLEPREP_SUMMARY were attached using conductive double-sided tape on an indium tin oxide (ITO) SP:SAMPLEPREP_SUMMARY glass-slide. The CHCA matrix was deposited at a thickness of 0.7 μm using a SP:SAMPLEPREP_SUMMARY vacuum deposition system (iMLayer; Shimadzu, Kyoto, Japan). Recrystallization SP:SAMPLEPREP_SUMMARY was performed by exposing the matrix-coated section to 5% methanol vapor at 60 SP:SAMPLEPREP_SUMMARY °C, for 30 s. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Other CH:INSTRUMENT_NAME none CH:COLUMN_NAME none #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Shimadzu iMScope TRIO MS:INSTRUMENT_TYPE MALDI IT-TOF MS:MS_TYPE MALDI MS:ION_MODE POSITIVE MS:MS_COMMENTS Shimadzu IMAGEREVEAL software MS:MATRIX CHCA MS:MS_RESULTS_FILE ST002144_AN003509_Results.txt UNITS:Da Has m/z:Yes Has RT:No RT units:No RT data #END