A had been either common (mz , , ,) or consistent with popular mass losses

A had been either common (mz , , ,) or consistent with popular mass losses in the [MH] ion (e.g mz and in the and MS spectra, corresponding to a mass loss of Da; Supplementary Table S), and (iii) the spectrum ofFrontiers in Plant Science www.frontiersin.orgNovember Volume ArticleSisTerraza et al.Coumarins in FeDeficient Arabidopsis PlantsTABLE Phenolic compound requirements applied for identification purposes retention times (RT), precise masstocharge ratios (mz), molecular formulae and error mz (in ppm).Name RT (min) program .Measured mz .Molecular formula C H O Calculated mz .Error mz (ppm) .ESIMSn mz (Relative intensity, in )hydroxymethoxycoumarin glucoside (scopolin, scopoletin Oglucoside)MS , , , , , , MS , , , , MS , MS MS , , , , , , , , , , , , , , , , , , , , , , , MS MS , MS , MS , , , , , , , , MS , MS , , , , , , , , MS , MS , , , , , , , , MS , , , MS , , MS , , MS , , , , , , , MS , , , MS , , , , MS , , MS , , , , , , , , MS , , , , dihydroxymethoxycoumarin glucoside (fraxin) ..C H O C H O ..dihydroxymethoxycoumarin (fraxetin) hydroxymethoxycoumarin (scopoletin) hydroxy,dimethoxycoumarin (isofraxidin) Ferulic acid hydroxy,dimethoxycoumarin (fraxinol) Coniferyl aldehyde ……..C H O C H O C H O C H O C H O C H O ………………..Sinapyl aldehyde …C H O C H O………………C H O C H O C H O C H O C H O C H O C H O The mz ratios of parent and fragment ions have been determined in the data in the HPLCESIMS(TOF) and HPLCESIMS(ion trap) chromatograms, respectively, working in each good and unfavorable mode.Prevalent names for coumarins and their glucosides are indicated in brackets.The parent ion mz ratios correspond to [MH] and [MH] .The major ion on the MS and MS spectra is indicated in bold.also has a few of these characteristics, like an ion at mz in addition to a mass loss of Da from the [MH] ion (Supplementary Table S).When the MS spectra of had been obtained on a higher resolution QTOF mass analyzer, which makes it possible for for an accurate mass determination of fragment ions, all spectra showed a popular fragment ion at mz constant together with the elemental formula C H O (with an error of .ppm) (Supplementary Figure S) from the dihydroxymethoxycoumarin fraxetin (compound).The presence of a fraxetin moiety in compounds was additional confirmed by their MS spectra (, , and for , , , and , respectively; Figure B), which match completely together with the fraxetin MS spectrum.SMT C1100 CAS Amongst the plantderived fraxetin derivatives known so far (Begum et al Zhang et al), six coumarinolignanshave elemental formulae consistent with those of compounds , such as cleomiscosins A, B, C (also referred to as aquillochin) and D, first isolated and identified in seeds of Cleome viscosa (a common weed from the Capparidaceae household), and hydroxycleomiscosins A (also known as demethylaquillochin) and B, first isolated from Mallotus apelta roots and Eurycorymbus cavaleriei twigs, respectively.Cleomiscosins C and D (regioisomers also known as constitutional isomers arising from the fusion of fraxetin as well as the monolignol sinapyl alcohol via a dioxane bridge; Figure C) possess a formula identical to that of (C H O), cleomiscosins A and B (regioisomers arising from the fusion of fraxetin plus the monolignol coniferyl alcohol by means of a dioxane bridge; Figure C) have a PubMed ID:http://www.ncbi.nlm.nih.gov/pubmed/21541725 formula identical to that of (C H O), whereas hydroxycleomis.