Table 1 in Effects of N source concentration and NH / NO ratio on phenylethanoid glycoside pattern in tissue cultures of Plantago lanceolata L.: A metabolomics driven full-factorial experiment with LC-ESI-MS

Table 1 Fragmentation pattern of putatively identified major peaks obtained by LC–ESI–MS 3 analysis of defatted Plantago lanceolata calli MeOH extracts in negative ion mode. MS 2 ions are CID products of the [M – H] –, while MS 3 ions are CID products of the most abundant MS 2 ion (MS 2a).
#RtPutative identificationStructure of [M – H] –[M – H] –MS2aMS2 bMS384.85Plantamajoside hexoside[HT-Glc(Glc)(Glc)-CA – H] –801639477188.08Plantamajoside ⁄[HT-Glc(Glc)-CA – H] –639477315135, 143, 161, 179, 297, 315198.16Lavandulifolioside[HT-Glc(Rha(Ara))-CA – H] –755593443, 447, 461, 575, 609, 623461, 447229.07Desrhamnosylacteoside[HT-Glc-CA – H] –477161135, 179, 203, 315, 323, 341133279.31Acteoside ⁄[HT-Glc(Rha)-CA – H] –623461315, 443, 477135, 161, 297, 315309.61Desrhamnosylacteoside 2[HT-Glc-CA – H] –477161179, 251, 281, 315133379.88Plantamajoside 2[HT-Glc(Glc)-CA – H] –639477315135, 143, 161, 179, 297, 3154310.45Acteoside 2[HT-Glc(Rha)-CA – H] –623461315, 443, 477135, 161, 297, 3154910.54Plantamajoside 3[HT-Glc(Glc)-CA – H] –639477251, 315161, 3155311.00Methyl-plantamajoside[HT-Glc(Glc)-MeCA – H] –653607491315, 443, 4615911.63Methyl acteoside (leucosceptoside A)[HT-Glc(Rha)-MeCA – H] –637461443, 475, 491135, 3156111.84Methyl-plantamajoside 2[HT-Glc(Glc)-MeCA – H] –653477459, 4913156411.97Dimethyl-plantamajoside[MeHT-Glc(Glc)-MeCA – H] –667473193, 491, 5053116512.30Dimethyl-acetyl-acteoside[HT-Glc(Ac)(Rha)-Me CA – H] – 2693649443, 461, 485, 503, 589, 6077112.64Dimethyl-acetyl-acteoside 2[HT-Glc(Ac)(Rha)-Me CA – H] – 2693649443, 461, 485, 503, 589, 607
Abbreviations: Ara, arabinose; CA, caffeic acid; Glc, glucose; HT, hydroxytyrosol; MeCA, methyl caffeic acid; Me 2 CA, dimethyl caffeic acid; MeHT, methyl-hydroxytyrosol; Rha, rhamnose, Rt, retention time (minutes). Metabolites that were identical with standards, are marked with an asterisk. For identification and references, see text. a Most intensive MS 2 ion, subjected to CID, with daughter ions shown in column ‘MS 3 ’. b MS 2 ions not fragmented further.