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:

  1. Isobaric overlap of species may require assumptions:
    • *only acyl chains with even number of C-atoms
    • **only ester bonds are present
  2. 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:

  1. Isobaric overlap of species may require assumptions:
    • *only acyl chains with even number of C-atoms
    • **only ester bonds are present
  2. Isobaric overlap of species may require assumptions:
    • *sphingoid base with two hydroxyl-groups
    • **sphingoid base with three hydroxyl-groups