Help Index
Upload dataSelect upload data type.
File:If you choose ‘File’ button, upload raw data.
| Q TRAP4000TM |
wiff * |
Applied Biosystems, Canada |
| QstarTM |
| LTQTM |
.raw * |
Thermo, USA |
| LCQTM |
| OrbitrapTM |
| QuantumTM |
| Q-Tof microTM |
.raw (directry) ** |
Waters, USA |
| IT-TOFTM |
.lcd |
Shimadzu, JPN |
* If you use Analyst 2.0, please compress ".wiff" and ".scan" to ZIP file.
** Please compress ".raw" directory to ZIP file.
ManualIf you choose ‘Manual’ button, select spectra data. manually
| Type |
Select spectra type. You can select one of the list below.
|
| Precursor |
Enter m/z value of precurssor ion of MS2. You can enter m/z value when you choose MS2 spectra. |
| Target |
Enter target m/z value of neutral loss or precurssor ion. You can enter m/z value when you choose type of ‘NL’ or ‘Prec’. |
| Polarity |
Click Positive ion mode or Negative ion mode. |
| Data |
Enter m/z values of peak spectra. Paste the values according with below format
- m/z value only: Paste m/z value of one peak on every line.
- m/z, intensity: Paste m/z and intensity of one peak on every line. Paste m/z and intensity by tab- or space- deliminated.
|
Database: specifify database for identification
Search Type:data tye for identification
-
MS1: MS1 spectrum
-
MS2,MS3: MS2 or MS3 spectrum
-
NL,Prec: Neutral loss or precursor scan spectrum
ExpType:LC-MS or Infusion
Filter:Lipid classification and Ion type for identification.
[Class filter]
| Group |
Group of registered lipid. |
| Symbol |
List of registered lipid classes. Click check box which you want to identify lipid class. |
| Name |
Lipid name registered. |
| All/Clear |
When you choose all lipid classes, click ‘All’. All lipid classes were selected and the button will change to ‘clear’.
Click the button of ‘Clear’ for cancel of selection. All lipid classes were cancelled and the button will change to ‘All’.
|
[Ion filter]
| Polarity |
Polarity of ion |
| Name |
name of adduct ion |
| All/Clear |
When you choose all species of adduct ion, click ‘All’. All ions are selected and the button will change to ‘clear’.
Click the button of ‘Clear’ for cancel of selection. All ions are cancelled and the button will change to ‘All’.
|
ToleranceSet tolerance for identification
| Parent Tol |
Set parent ion tolerence value between theoretical and obseved parent ions of MS1 spectra. Select ppm or Da. |
| NL/Prec Tol |
Set neutral loss or precursor ion tolerence. value between theoretical and observed neutrral loss or fragment ions of precursor ion scan. |
| Precursor Tol |
Set precursor ion tolerence value between theoretical and observed precusor ions of MS2, MS3. |
| Product Tol |
Set product ion tolerence value between thoretical and observed MS2、MS3 |
Merge Range:Set Merge range (minutoes) for MS1 or NL/Prec peak.
ThresholdSet threshold for identification
| Intensity Threshold |
- Parent: threshold of MS1,NL,Precursor ion. Set relative intensity of biggest peak to all MS1 peaks.
- Product: threshold of MS2,MS3. Set relative intensity of biggest peak to all MS2,MS3 peaks.
|
| M-Score Threshold： |
threshold of M-Score for identification result of MS2, MS3 spectrum. |
R.T. Interval:Set R.T. interval to select peak of Parent ions (MS1、NL、Prec)
Spectra of selected R.T. interval are processed.
R.T. Range:Set retention time range (min) for selecting peaks.
If you enter 20,30, you obtain the peaks of spectra between 20min to 30min.in raw data.
Result SummarySummary of calculated results will be displayed after identification. The number of identified results in every lipid class will be displayed. The meaning of each item is as follows.
| Class |
Identified Class. Check lipid class.
|
| Lipid Group |
Number of identified lipid group
Lipid group indicates grouping lipid which is the sum of carbon number and unsaturated bond number.
Example PC(16:0/18:2)+H → Lipid group：PC(34:2)+H
|
| Lipid Ion |
Number of identified lipid
|
View:Select lipid class and click View button. Detailed window of identified results will be displayed.
Filter:Filter condition setting will be displayed. Filter item will describe later.
| Toprank Filter |
Show only top rank molecule among identified candidate molecular species.
|
| Main node Filter |
Show only a representative peak among identified lipid peaks. The peak is selectedby consideration in the values of intensity, M-Score, and T-Score.
|
| M-Score |
Set M-Score Threshold of identified lipid.
|
| T-Score |
Set T-Score Threshold of identified lipid.
|
| Polarity |
Set Polarity filter
- Positive：identified results of Positive mode
- Negative：identified results of Negative mode
- Both：Positive and Negative
|
Export:Export text file of identified results. Format of export file will describe later.
Result TableA table of information on lipid identified will be displayed. The meaning of each item is as follows.
| Data Id |
Data ID.
|
| LipidIon |
Identified lipid Ion.
|
| Scan |
Data type
- MS1: shows peak in MS1 spectrum
- MS2：shows MS2 spectrum
- NL: shows peak in Neutral Loss spectrum.
- Prec： shoes peak in Precursor Ion Scan spectrum.
|
| ObsMz |
Observed m/z.
|
| CalcMass |
Calculation mass.
|
| Rt |
Retention time
|
| It. |
Intensity of identified peak. If type is "MS2", it shows the intensity of precursor ion peak.
|
| Pol |
Polarity.
|
| ｚ |
Charge.
|
| Delta(Da) |
Delta Mass(Da)
|
| Delta(Ppm) |
Delta Mass(ppm)
|
| T-Score |
Score calculated with retention time.
|
| M-Score |
Score calculated with match countMatching score.
|
| Occ. |
the occupancy of identified peaks in spectrum.
|
| Cnt |
the number of identified peaks in spectrum.
|
SortSort result table.
| Product Ion |
Product ion name
|
| Type |
Data type
|
| ObsMz |
Observed m/z of product ion peak.
|
| Intensity |
Intensity of product ion peak.
|
| Delta(Da) |
Delta mass between observed mass and calculated mass.
|
Caution：please install SVG Viewer for using this menue.
| LipidIon |
Lipid ion name identified for this spectrum.
|
| M-Sc. |
M-Score
|
| T-Sc. |
T-Score
|
| Occ. |
Occupy.
|
| St. |
Status
|
