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Addition of ion mobility information #109

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michaelwitting opened this issue Dec 16, 2019 · 5 comments
Open

Addition of ion mobility information #109

michaelwitting opened this issue Dec 16, 2019 · 5 comments

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@michaelwitting
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@michaelwitting michaelwitting commented Dec 16, 2019

How can ion mobility data be added to MassBank records?

  • Need of AC$ION_MOBILITY with subtags

Discussion with @sneumann, @tsufz, @schymane in Dagstuhl January 2020?

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@schymane schymane commented Dec 16, 2019

Yes, this is definitely needed, good idea to discuss at Dagstuhl.

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@michaelwitting michaelwitting commented Dec 16, 2019

Good... I will collect few ideas for discussion. See you there...

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@schymane schymane commented Dec 16, 2019

If you want to post ideas here in the meantime, please do - I have some other colleagues we could add to the discussion in advance if needed (e.g. UJI in Castellon)

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@michaelwitting michaelwitting commented Dec 16, 2019

Idea for Tags and Subtags
AC$ION_MOBILITY

  • DRIFT_GAS
  • INSTRUMENT_TYPE (DT, TWIMS, TIMS)
  • DRIFT_TIME (or comparable value)
  • CCS

One of the main question is how to collect instrument parameters, e.g. drift field etc. This is very different for the different instruments.
This review might help with finding the best answers:
https://onlinelibrary.wiley.com/doi/full/10.1002/mas.21585

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@bijlsma-l bijlsma-l commented Dec 16, 2019

Dear all, I am Lubertus (aka Robert) from UJI Castellon. Emma asked us to participate and I hope can add valuable thoughts to this discussion. I also discussed this with my colleague Juanvi Sancho and we agree with the tags suggested by Michael i.e. drift gas, instrument type, drift time and CCS. These are most important. In the future you might have to consider including resolution. It is probably not yet the case, because this should also be defined, but I can imagine that this becomes more important. Waters for example is developing a cyclic IMS with higher resolution than the TWIMS, because with the TWIMS they are a bit behind with the others (TIMS). Manufacturers will probably continue with this development like with HRMS.

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