Create a table with the following information to find the internal standards in data efficiently: Name, m/z (MZ), retention time (RT), Adduct, InChiKey, Formula, Smiles, and Ontology. An example for PC 15:0_18:1(d7) is showed below. Save the table as .txt. Go to Advanced in the “Identification” tab, and select this .txt file. Set 100 min to “Retention time tolerance”, 0.01 Da as “Accurate mass tolerance”, and 80% to “Identification score cut off”. Name PC 15:0_18:1(d7) RT 12.75 MZ 775.59531 Adduct [M+Na]+ InChiKey ZEWLMKXMNQOCOQ-GCHPQBSENA-N Formula C41H73D7NO8P Smiles [C@](COP(=O)(
I have been working with AIF IMS data and to analyse them through MS-DIAL you should check Ion mobility and then data independent MS/MS. In my view, so far MS-DIAL is not able to distinguish the different energy collisions in this system.
Regarding quantification, I would rather normalize areas in excel, because MS-DIAL quantification is better to plasma or tissues samples. If you need more help please send me an email:
Hi Manuella! Yes, I am running samples from DIA All ions Agilent 6560 IM-QTOF, though I have not tested this new version yet. In fact I tried drag and drop the samples but it presented an error. At the end in the 4.48 version I am able to run 21 samples from positive mode for around 5 hours and from negative mode 2 hours. But I will try tomorrow and I can tell you afterwards.
Hi everyone. I work with green coffee beans, using 15 uL of EquiSplash and 7.5 mg of milled coffee beans. In the lipidomics workflow I have had difficulties to find the deuterated standards, even though I know that they are there in my raw data. Has everyone had the same problem ? Do I need to do something to identified these compounds ?
Hello. I am trying to process LC-IM-QTOF data in the MS-DIAL 4.48, but the time to end has been higher than I was expecting. I am processing only two lipid samples, because it is only a test. This is my first time with ion mobility, but I have been using MS-DIAL for my first work using lipidomics and orbitrap.
The computer is a desktop with 192 GB of RAM.
Do you have long processing times for ion mobility data ? More than 3-4 hours ?