Lipid Class Specific Fragments
Positive ion mode
Lipid classes |
Prec. ion |
Fragment Neutral loss |
Annotation Level |
Example (QQQ) |
Remark |
PC |
[M+H]+ |
m/z 184.0733 NL 183.0661 |
Sum composition |
Precursor m/z 746.6 PC O-34:1* PC 33:1** |
1 |
PE |
[M+H]+ |
NL 141.0191 |
Sum composition |
Precursor m/z 704.5 PE O-34:1* PE 33:1** |
1 |
MMPE |
[M+H]+ |
NL 155.0347 |
Sum composition |
Precursor m/z 718.5 MMPE O-34:1* MMPE 33:1** |
1 |
DMPE |
[M+H]+ |
NL 169.0503 m/z 170.0576 |
Sum composition |
Precursor m/z 732.6 DMPE O-34:1* DMPE 33:1** |
1 |
PS |
[M+H]+ |
NL 185.0089 |
Sum composition |
Precursor m/z 748.5 PS O-34:1* PS 33:1** |
1 |
PG |
[M+NH4]+ |
NL 189.0402 |
Sum composition |
Precursor m/z 752.5 PG O-34:1* PG 33:1** |
1 |
PA |
[M+NH4]+ |
NL 115.0035 NL 17.0266 |
Sum composition |
Precursor m/z 678.5 PA O-34:1* PA 33:1** |
1; NL of 17 has a low specificity |
PI |
[M+NH4]+ |
NL 277.0563 |
Sum composition |
Precursor m/z 840.6 PI O-34:1* PI 33:1** |
1 |
LPX |
see respective diradyl lipid class |
Molecular lipid species |
Precursor m/z 482.3 LPC O-16:0* LPC 15:0** |
1 |
|
DG |
[M+NH4]+ |
NL 35.0371 NL 17.0266 |
Sum composition |
Precursor m/z 598.5 DG O-34:1* DG 33:1** |
1; NL of 17 has a low specificity |
SM |
[M+H]+ |
m/z 184.0733 |
Sum composition |
Precursor m/z 703.6 SM 34:1* SM 33:2** |
2 |
Cer HexCer Hex2Cer |
[M+H]+ |
Long chain base specific product ions: e.g. m/z 264.2685 for SPH d18:1 backbone |
Molecular lipid species |
Cer d18:1/16:0 |
Remarks:
- Isobaric overlap of species may require assumptions:
- *only acyl chains with even number of C-atoms
- **only ester bonds are present
- Isobaric overlap of species may require assumptions:
- *sphingoid base with two hydroxyl-groups
- **sphingoid base with three hydroxyl-groups
Negative ion mode
Lipid classes |
Prec. ion |
Fragment Neutral loss |
Annotation Level |
Example |
Remark |
PC |
[M+HCOO]- |
NL 60.0211 |
Sum composition |
Precursor m/z 790.6 PC O-34:1* PC 33:1** |
1 |
PC |
[M+CH3COO]- |
NL 74.0368 |
Sum composition |
Precursor m/z 804.6 PC O-34:1* PC 33:1** |
1 |
PE |
[M-H]- |
m/z 140.0118 m/z 196.0380 |
Sum composition |
Precursor m/z 702.5 PE O-34:1* PE 33:1** |
1 |
PG |
[M-H]- |
m/z 152.9958 m/z 171.0063 |
Sum composition |
Precursor m/z 733.5 PG O-34:1* PG 33:1** |
1 |
PA |
[M-H]- |
m/z 152.9958 |
Sum composition |
Precursor m/z 659.5 PA O-34:1* PA 33:1** |
1 |
PI |
[M-H]- |
m/z 241.0119 m/z 223.0013 m/z 152.9958 m/z 259.0224 |
Sum composition |
Precursor m/z 821.5 PI O-34:1* PI 33:1** |
1 |
PS |
[M-H]- |
m/z 152.9958 NL 87.0320 |
Sum composition |
Precursor m/z 746.5 PS O-34:1* PS 33:1** |
1 |
DMPE |
[M-H]- |
m/z 168.0431 |
Sum composition |
Precursor m/z 730.6 DMPE O-34:1* DMPE 33:1** |
1 |
SM |
[M+HCOO]- |
m/z 168.0431 NL 60.0211 |
Sum composition |
Precursor m/z 747.6 SM 34:1* SM 33:2** |
2 |
SM |
[M+CH3COO]- |
m/z 168.0431 NL 74.0368 |
Sum composition |
Precursor m/z 761.6 SM 34:1* SM 33:2** |
2 |
LPXs |
see respective non-lyso lipid class |
Molecular lipid species |
Precursor m/z 438.3 LPE O-16:0* LPE 15:0** |
1 |
Remarks:
- Isobaric overlap of species may require assumptions:
- *only acyl chains with even number of C-atoms
- **only ester bonds are present
- Isobaric overlap of species may require assumptions:
- *sphingoid base with two hydroxyl-groups
- **sphingoid base with three hydroxyl-groups