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MassBank specifications


Unique identifier OMICS_02462
Name MassBank
Restrictions to use None
Maintained Yes


  • person_outline Bio-MassBank Team

Publication for MassBank

MassBank citations


Metabolome Integrated Analysis of High Temperature Response in Pinus radiata

Front Plant Sci
PMCID: 5914196
PMID: 29719546
DOI: 10.3389/fpls.2018.00485

[…] st step was performed against an in-house library (>100 compounds) and manual annotation considering m/z and retention times. In the second step, masses were assigned using the KEGG, PubChem, METLIN, MassBank, HMDB, and Plantcyc databases as reported by with built-in MZmine plugins with a 5 ppm threshold and considering as “identified” beyond doubt those metabolites that were defined after the co […]


DIVA metabolomics: Differentiating vaccination status following viral challenge using metabolomic profiles

PLoS One
PMCID: 5886402
PMID: 29621258
DOI: 10.1371/journal.pone.0194488

[…] included in the analysis parameters. Elemental compositions were searched against PubChem and Chemspider online databases, and where possible Function 2 fragments were matched against Metlin, HMDB or Massbank databases. Where fragmentation spectra for the analyte in question was not available, in silico fragmentation was performed using Metfrag and Function 2 fragmentation data was validated again […]


Promising Metabolite Profiles in the Plasma and CSF of Early Clinical Parkinson's Disease

PMCID: 5844983
PMID: 29556190
DOI: 10.3389/fnagi.2018.00051

[…] ed (Creek et al., ) to aid metabolite annotation and identities confirmed by available authentic standards (validation level 1). MS/MS spectra were matched against online databases such as Metlin and MassBank (validation level 2) or against in silico fragmentation spectra (validation level 3) retrieved from Metfrag (Ruttkies et al., ), CFM-ID (Allen et al., ) and/or CSI:FingerID (Dührkop et al., ) […]


Anti aging potential of extracts from Sclerocarya birrea (A. Rich.) Hochst and its chemical profiling by UPLC Q TOF MS

BMC Complement Altern Med
PMCID: 5804067
PMID: 29415712
DOI: 10.1186/s12906-018-2112-1

[…] by generating molecular formulas from MassLynx V 4.1 based on their iFit value, and by comparison of MS/MS fragmentation pattern with that of matching compounds from Metlin, Metfusion, ChemSpider and Massbank libraries. Additionally, acquired accurate masses were compared with those of known compounds in compound databases. Pure standards were used to confirm the presence of selected compounds. […]


The Arabidopsis thaliana Knockout Mutant for Phytochelatin Synthase1 (cad1 3) Is Defective in Callose Deposition, Bacterial Pathogen Defense and Auxin Content, But Shows an Increased Stem Lignification

Front Plant Sci
PMCID: 5786554
PMID: 29403524
DOI: 10.3389/fpls.2018.00019

[…] retention time and fragmentation pattern (Supplementary Table ) with an in house library of authentic standard and through a comparison of m/z and fragmentation pattern with the data available in the MassBank public database and in the literature. Chromatogram data extraction and alignment were carried out using MZmine software. The relative quantification (i.e., comparison between samples) was ba […]


Alkaloids Profiling of Fumaria capreolata by Analytical Platforms Based on the Hyphenation of Gas Chromatography and Liquid Chromatography with Quadrupole Time of Flight Mass Spectrometry

Int J Anal Chem
PMCID: 5733964
PMID: 29348751
DOI: 10.1155/2017/5178729

[…] the NIST MS library (NIST11.L) and NIST chemistry WebBook ( when possible, as well as literature about Papaveraceae. In the case of RP-UHPLC-DAD-QTOF-MS and –MS/MS, MassBank and Metlin were consulted. Moreover, chemical structure information was also retrieved from SciFinder Scholar (, Reaxys (, and KNApSAcK Core Sy […]


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MassBank institution(s)
Institute for Advanced Biosciences, Keio University, Tsuruoka, Yamagata, Japan

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