2006
DOI: 10.1021/ac061391o
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Abstract: A facile and sensitive mass spectrometric method has been developed for the dereplication of natural products. The method provides information about the molecular formula and substructure of a precursor molecule and its fragments, which are invaluable aids in dereplication of natural products at their early stages of purification and characterization. Collision-induced MS/MS technique is used to fragment a precursor ion into several product ions, and individual product ions are selected and subjected to collis… Show more

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Cited by 95 publications
(69 citation statements)
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“…The purified paclitaxel was identified by high-resolution electrospray tandem mass spectrometry (HR-ESI-MS/MS), and 1H NMR (see Supplementary File). These data are in good agreement with those reported in the literature [36,37] …”
Section: Purification Of Paclitaxel On Large Scalesupporting
confidence: 93%
See 1 more Smart Citation
“…The purified paclitaxel was identified by high-resolution electrospray tandem mass spectrometry (HR-ESI-MS/MS), and 1H NMR (see Supplementary File). These data are in good agreement with those reported in the literature [36,37] …”
Section: Purification Of Paclitaxel On Large Scalesupporting
confidence: 93%
“…The structure of the purified paclitaxel was identified by HR-ESI-MS/MS, and 1 H NMR (see Supplementary File). These data are in good agreement with those reported in the literature [36,37], and confirm that the purified compound is paclitaxel.…”
Section: Purification Of Paclitaxel From Chinese Yew On Small Scalesupporting
confidence: 92%
“…An example is Taxol in which the molecule splits into two core structures in the MS/MS fragmentation as described in our previous paper. 53 Another example is ergot alkaloid dihydroergotamine (C 33 Table 5). Some small neutral losses underlined in Table 5 are easily assigned to the losses of water (H 2 O), carbon monoxide (CO), carbon dioxide (CO 2 ), and ammonia (NH 3 ).…”
Section: Molecules With Multiple Core Structuresmentioning
confidence: 99%
“…It should be mentioned that the number of possible MFs exponentially increases with the size of the molecules, whereas there has been no drastic progress to improve accurate mass determination. 51,52 In our previous paper, 53 we analyzed MF and fragmentation pathways of small molecules based on their accurate MS, MS/ MS, and MS/MS/MS data. The method provided detailed information on the structure and sub-structures and their fragmentation pathways.…”
Section: Introductionmentioning
confidence: 99%
“…The aim of MS/MS is either to get structure information by fragmenting the ions isolated during the first MS experiment, and/or to achieve better selectivity and sensitivity for quantitative analysis. The most commonly used tandem mass spectrometers include the triple quadrupole (QqQ or TQ), Q-Trap (Q-Linear Ion Trap), IT-IT (LTQ Orbitrap), Q-TOF and IT-TOF [39][40][41][42][43][44].…”
Section: Introductionmentioning
confidence: 99%