MS-DIAL
Compound identification and annotation confidence
Annotation code: Version 1.0
LC-IM(ion mobility)-MS/MS, MSP-MS/MS based annotation,
lipidomics project
lipidomics project
RT match should be equal to 0.5 min or less.
If less than 0.5 min is used for the RT tolerance, the tolerance is used for level 1 annotation.
If less than 0.5 min is used for the RT tolerance, the tolerance is used for level 1 annotation.
Code
Retention Time matched
CCS matched
m/z matched
MS/MS matched
Resolved method
100
Lipid acyl position
110
Lipid acyl chain
120
Lipid class
200
Lipid acyl position
210
Lipid acyl chain
220
Lipid class
300
Lipid acyl position
310
Lipid acyl chain
320
Lipid class
400
Lipid acyl position
410
Lipid acyl chain
420
Lipid class
500
-
510
-
520
-
530
-
999
Unknown
LC-IM-MS/MS, MSP-MS/MS based annotation,
metabolomics project
metabolomics project
RT match should be equal to 0.5 min or less.
If less than 0.5 min is used for the RT tolerance, the tolerance is used for level 1 annotation.
If less than 0.5 min is used for the RT tolerance, the tolerance is used for level 1 annotation.
Code
Retention Time matched
CCS matched
m/z matched
MS/MS matched
130
230
330
430
500
510
520
530
999
Unknown
LC-MS/MS, MSP-MS/MS based annotation,
lipidomics project
lipidomics project
RT match should be equal to 0.5 min or less.
If less than 0.5 min is used for the RT tolerance, the tolerance is used for level 1 annotation.
If less than 0.5 min is used for the RT tolerance, the tolerance is used for level 1 annotation.
"lipid acyl position resolved" is not officially supported yet.
Code
Retention Time matched
m/z matched
MS/MS matched
Resolved method
300
Lipid acyl position
310
Lipid acyl chain
320
Lipid class
400
Lipid acyl position
410
Lipid acyl chain
420
Lipid class
520
-
530
-
999
Unknown
LC-MS/MS, MSP-MS/MS based annotation,
metabolomics project
metabolomics project
RT match should be equal to 0.5 min or less.
If less than 0.5 min is used for the RT tolerance, the tolerance is used for level 1 annotation.
If less than 0.5 min is used for the RT tolerance, the tolerance is used for level 1 annotation.
Code
Retention Time matched
m/z matched
MS/MS matched
330
430
520
530
999
Unknown
LC-MS/MS, text DB based annotation
The term "annotated by user-defined text library" is assigned.
GC-MS project
RT match should be equal to 0.1 min or less.
If less than 0.1 min is used for the RT tolerance, the tolerance is used for level 1 annotation.
If less than 0.1 min is used for the RT tolerance, the tolerance is used for level 1 annotation.
Kovats RI match should be equal to 20 or less.
If less than 20 is used for the Kovats RI tolerance, the tolerance is used for level 1 annotation.
If less than 20 is used for the Kovats RI tolerance, the tolerance is used for level 1 annotation.
Fiehn RI match should be equal to 2000 or less.
If less than 2000 is used for the Fiehn RI tolerance, the tolerance is used for level 1 annotation.
If less than 2000 is used for the Fiehn RI tolerance, the tolerance is used for level 1 annotation.
Code
RT/RI matched
EI-MS matched
340
440
999
Unknown
