Hi
Thanks
I am no expert in developing Java modules so I cant do it :(
But what I am doing right now is just expanding the adducts list with double
and triply charged adducts - then it can search for these.
However it would by very nice if mzmine has a feature to calculate m from
charge state and m/z and then allow that value either to be searched in
databases or exported. If the adducts module could search this value instead of
m/z, then the issue would be solved :)
Best Regards
Steen Buskov
Manager
Novozymes A/S
Hallas Alle 1
4400 Kalundborg Denmark
Phone: +45 44466071
Mobile: +45 30776071
Fax: +4544461000
E-mail: s...@novozymes.com<mailto:s...@novozymes.com>
Web: www.novozymes.com<http://www.novozymes.com>
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Novozymes A/S (reg. no.:10007127). Registered address: Krogshoejvej 36 DK-2880
Bagsvaerd, Denmark
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From: Tomas Pluskal [mailto:plus...@oist.jp]
Sent: 24 June 2014 05:27
To: Developer discussion
Cc: SEEB (Steen Buskov)
Subject: RE: Question
Dear Steen,
I believe your observations are correct.
The calculations of M from m/z is quite trivial, so it can be easily done e.g.
in Excel.
For the detection of adducts, someone has to improve the MZmine module.
Best regards,
Tomas
________________________________
From: SEEB (Steen Buskov) [s...@novozymes.com]
Sent: Monday, June 23, 2014 10:11 PM
To:
mzmine-devel@lists.sourceforge.net<mailto:mzmine-devel@lists.sourceforge.net>
Subject: [Mzmine-devel] Question
Hi
I am currently trying to use and optimize the MZmine for peptide hugh res MS
data processing and would like to generate a peak list with calculated M from
m/z and charge state.
Is that possible ?
Furthermore it seems like it is not possible to search for adducts when the
compound is present in charge +2 or more ?
Is that correct ?
Thanks for an excellent programme
Best Regards
Steen Buskov
Manager
Novozymes A/S
Hallas Alle 1
4400 Kalundborg Denmark
Phone: +45 44466071
Mobile: +45 30776071
Fax: +4544461000
E-mail: s...@novozymes.com<mailto:s...@novozymes.com>
Web: www.novozymes.com<http://www.novozymes.com>
Follow Novozymes on: LinkedIn<http://www.linkedin.com/company/novozymes/> |
Twitter<https://twitter.com/Novozymes/>
Novozymes A/S (reg. no.:10007127). Registered address: Krogshoejvej 36 DK-2880
Bagsvaerd, Denmark
This e-mail (including any attachments) is for the intended addressee(s) only
and may contain confidential and/or proprietary information protected by law.
You are hereby notified that any unauthorized reading, disclosure, copying or
distribution of this e-mail or use of information herein is strictly
prohibited. If you are not an intended recipient you should delete this e-mail
immediately. Thank you.
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