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ACD/MS Fragmenter specifications


Unique identifier OMICS_02647
Name ACD/MS Fragmenter
Software type Package/Module
Interface Command line interface
Restrictions to use License purchase required
Operating system Unix/Linux
License Commercial
Computer skills Advanced
Stability Stable
Maintained Yes


No version available


  • person_outline Percepta Predictors Team

ACD/MS Fragmenter citations


An improved method for measuring metaldehyde in surface water using liquid chromatography tandem mass spectrometry

PMCID: 4804391
PMID: 27054094
DOI: 10.1016/j.mex.2016.03.004

[…] the molecular ion of metaldehyde, and m/z = 145 which is the loss of c2h7, from the molecular ion to form c6h9o4+. the hypothesis for the formation of the ion at m/z = 145 is supported by the use of acd/ms fragmenter software (toronto, canada) (see )., overall, better precision (<7.0% rsd at the drinking water directive limit of 0.1 μg/l) and a five-fold improvement in method sensitivity […]


Oleic Acid Metabolism via a Conserved Cytochrome P450 System Mediated ω Hydroxylation in the Bark Beetle Associated Fungus Grosmannia clavigera

PLoS One
PMCID: 4368105
PMID: 25794012
DOI: 10.1371/journal.pone.0120119

[…] lc system and agilent technologies 6224 tof/lc/ms instrument. the product was fragmented on the agilent 1100 series lc/msd ion trap xct plus system. the fragmentation pattern was analyzed with the acd/ms fragmenter software (acd/ms fragmenter v.12, advanced chemistry development, inc. (; toronto, on, canada). all fragmentation data were generated using a collision energy of 20 […]


Computational mass spectrometry for small molecules

J Cheminform
PMCID: 3648359
PMID: 23453222
DOI: 10.1186/1758-2946-5-12

[…] contains fragmentation reactions collected from mass spectrometry literature. besides predicting a spectrum from a molecular structure, it can also explain a measured fragmentation spectrum. the acd/ms fragmenter (advanced chemistry labs, toronto, canada) can only interpret a given fragmentation spectrum using a known molecular structure []. initially, these programs were designed […]

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