Mass Spectrometry Peak Prediction

Show Possible Glycerolipid Structures

This interface searches for discrete glycerolipids with defined radyl chains (e.g. TG(16:0/16:0/18:1(9Z)))
To search for "bulk" glycerolipid structures (i.e. TG(48:0), DG(34:1),etc), use the bulk glycerolipid search interface

Enter a tab,space or comma-delimited list of m/z and intensity values of precursor ions and specify the intensity threshold (cutoff) and ion type:

 
Intensity Threshold
Mass Tolerance (+/- m/z)
Glycerolipid Class
Ion or derivatized ion
Limit search to certain chains:
2:0: 4:0: 6:0: 8:0: 10:0: 12:0: 14:0: 16:0: 18:0: 20:0:
22:0: 24:0: 14:1: 16:1: 18:1: 18:2: 18:3: 18:4: 20:1: 20:2:
20:3: 20:4: 20:5: 22:1: 22:2: 22:4: 22:5: 22:6: 24:1:
O-16:0: O-18:0: O-20:0: P-16:0: P-18:0: P-20:0:
13:0: 15:0: 15:1: 17:0: 17:1: 17:2: 19:0: 21:0:
Check/uncheck all even chains Check/uncheck all odd chains
Optionally enter relative percentages of chains (from FAME analysis or other data)
(%)     (%)
(%)     (%)
(%)     (%)
Check 'Score' column on results page for output
Sort by
List of precursor ions and intensities:
(tab,space or comma-delimited)


Examples of Abbreviations

The more common acyl chains used to create the virtual database of glycerolipids (alkyl/vinyl ethers at sn1 position only):

0:0
2:0
4:0
6:0
8:0
10:0
12:0
13:0
14:0
14:1(9Z)
15:0
15:1(9Z)
O-16:0 (ether)
P-16:0 (plasmalogen)
16:0
16:1(9Z)
17:0
17:1(9Z)
17:2(9Z,12Z)
O-18:0 (ether)
P-18:0 (plasmalogen)
18:0
18:1(11E)
18:1(9Z)
18:2(9Z,12Z)
18:3(6Z,9Z,12Z)
18:3(9Z,12Z,15Z)
18:4(6Z,9Z,12Z,15Z)
19:0
O-20:0 (ether)
P-20:0 (plasmalogen)
20:0
20:1(11Z)
20:2(11Z,14Z)
20:3(8Z,11Z,14Z)
20:4(5Z,8Z,11Z,14Z)
20:5(5Z,8Z,11Z,14Z,17Z)
21:0
22:0
22:1(11Z)
22:2(13Z,16Z)
22:4(7Z,10Z,13Z,16Z)
22:5(22:5(7Z,10Z,13Z,16Z,19Z))
22:6(4Z,7Z,10Z,13Z,16Z,19Z)
24:0
24:1(15Z)

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