Mass Spectrometry Peak Prediction

Show Possible Glycerolipid Structures

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

Limit search to certain chains:
10:0: 12:0: 14:0: 16:0: 18:0: 20:0: 22:0:
24:0: 26:0: 28:0: 30:0: 32:0: 34:0:
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: 24:2: 24:3: 24:4: 24:5: 26:1: 26:2: 26:3:
26:4: 26:5: 26:6: 28:1: 28:2: 28:3: 28:4: 28:5:
28:6: 30:1: 30:2: 30:3: 30:4: 30:5: 30:6: 32:1:
32:4: 32:5: 32:6: 34:4: 34:5: 34:6:
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:
23:0: 25:0: 25:1: 27:0: 27:1: 27:3: 29:0: 29:2:
29:3: 31:0: 33:0:
Check/uncheck all even chains Check/uncheck all odd chains

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)
22:6(4Z,7Z,10Z,13Z,16Z,19Z)
24:0
24:1(15Z)

logo LIPID MAPS is funded by a Wellcome Trust.