Partial Spectra DB

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LMSD class = GL03
ID Name m/z Strategy Adduct Putative formula LMSD Class Confidence
LMPTD00000356 TAG EST 64:0; 16:0-(5-O-16:0)/16:0/16:0 1,078.9960 LC-MS/MS [M+NH4]+ C67H132NO8 GL03
LMPTD00000357 TAG EST 66:0 sn1+sn2; 16:0_16:0-(5-O-18:0)_16:0 1,107.0270 LC-MS/MS [M+NH4]+ C69H136NO8 GL03
LMPTD00000358 TAG EST 66:1; 18:1-(7-O-16:0)/16:0/16:0 1,105.0120 LC-MS/MS [M+NH4]+ C69H134NO8 GL03
LMPTD00000359 TAG EST 70:4; 16:0-(5-O-18:0)/18:2/18:2 1,155.0270 LC-MS/MS [M+NH4]+ C73H136NO8 GL03
LMPTD00000360 TAG EST 70:4; 16:0-(9-O-18:0)/18:2/18:2 1,155.0280 LC-MS/MS [M+NH4]+ C73H136NO8 GL03
LMPTD00000361 TAG EST 84:0; 16:0-(9-O-18:0)/16:0/16:0-(9-O-18:0) 1,389.2840 LC-MS/MS [M+NH4]+ C87H170NO10 GL03
LMPTD00000362 TAG EST 66:1; 18:1-(5-O-16:0)/16:0/16:0 1,105.0110 LC-MS/MS [M+NH4]+ C69H134NO8 GL03
LMPTD00000363 TAG EST 64:0; 16:0-(9-O-16:0)/16:0/16:0 1,078.9950 LC-MS/MS [M+NH4]+ C67H132NO8 GL03
LMPTD00000364 TAG EST 68:1; 18:1-(7-O-18:0)/16:0/16:0 1,133.0430 LC-MS/MS [M+NH4]+ C71H138NO8 GL03
LMPTD00000365 TAG EST 64:0; 16:0-(7-O-16:0)/16:0/16:0 1,078.9950 LC-MS/MS [M+NH4]+ C67H132NO8 GL03
LMPTD00000366 TAG EST 68:1; 18:1-(10-O-18:0)/16:0/16:0 1,133.0430 LC-MS/MS [M+NH4]+ C71H138NO8 GL03
LMPTD00000367 TAG EST 70:4; 18:2/16:0-(7-O-18:0)/18:2 1,155.0270 LC-MS/MS [M+NH4]+ C73H136NO8 GL03
LMPTD00000368 TAG EST 66:1; 18:1-(16-O-16:0)/16:0/16:0 1,105.0130 LC-MS/MS [M+NH4]+ C69H134NO8 GL03
LMPTD00000369 TAG EST 70:4; 16:0-(7-O-18:0)/18:2/18:2 1,155.0270 LC-MS/MS [M+NH4]+ C73H136NO8 GL03
LMPTD00000370 TAG EST 66:0; 16:0-(7-O-18:0)/16:0/16:0 1,107.0260 LC-MS/MS [M+NH4]+ C69H136NO8 GL03
LMPTD00000371 TAG EST 66:0; 16:0-(9-O-18:0)/16:0/16:0 1,107.0270 LC-MS/MS [M+NH4]+ C69H136NO8 GL03
LMPTD00000372 TAG EST 68:2; 18:1-(10-O-18:1)/16:0/16:0 1,131.0270 LC-MS/MS [M+NH4]+ C71H136NO8 GL03
LMPTD00000373 TAG EST 70:4; 18:2/16:0-(9-O-18:0)/18:2 1,155.0270 LC-MS/MS [M+NH4]+ C73H136NO8 GL03
LMPTD00000374 TAG EST 66:1; 18:1-(9-O-16:0)/16:0/16:0 1,105.0130 LC-MS/MS [M+NH4]+ C69H134NO8 GL03
LMPTD00000375 TAG EST 66:0; 16:0-(5-O-18:0)/16:0/16:0 1,107.0260 LC-MS/MS [M+NH4]+ C69H136NO8 GL03
LMPTD00000376 TAG EST 70:4; 18:2/16:0-(5-O-18:0)/18:2 1,155.0270 LC-MS/MS [M+NH4]+ C73H136NO8 GL03
LMPTD00000404 TG 18:1_18:1_18:2;OH #[M+Na]+ 921.7506 LC-MS/MS [M+Na]+ C57H102O7Na+ GL03
LMPTD00000405 TG 16:0_18:1_18:2;OH #[M+Na]+ |[iso-2] 895.7356 LC-MS/MS [M+Na]+ C55H100O7Na+ GL03
LMPTD00000406 TG 16:0_18:1_20:4;OH,OH #[M+Na]+ 935.7308 LC-MS/MS [M+Na]+ C57H100O8Na+ GL03
LMPTD00000407 TG 16:0_18:1_20:3;oxo #[M+Na]+ 919.7355 LC-MS/MS [M+Na]+ C57H100O7Na+ GL03
LMPTD00000408 TG 16:0_18:1_18:2;OH #[M+Na]+ 895.7349 LC-MS/MS [M+Na]+ C55H100O7Na+ GL03
LMPTD00000409 TG 16:0_18:1_18:2;OH #[M+Na]+ |[iso-3] 895.7360 LC-MS/MS [M+Na]+ C55H100O7Na+ GL03
LMPTD00000410 TG 16:0_18:1_20:4;OH #[M+Na]+ 919.7352 LC-MS/MS [M+Na]+ C57H100O7Na+ GL03
LMPTD00000411 TG 16:0_18:1_18:2;O2 #[M+Na]+ |[iso-2] 911.7304 LC-MS/MS [M+Na]+ C55H100O8Na+ GL03
LMPTD00000412 TG 16:0_18:1_18:3;OH #[M+Na]+ 893.7202 LC-MS/MS [M+Na]+ C55H98O7Na+ GL03
LMPTD00000413 TG 16:0_18:0_18:2;OH #[M+Na]+ 897.7520 LC-MS/MS [M+Na]+ C55H102O7Na+ GL03
LMPTD00000414 TG 18:1_18:1_18:2;OH #[M+Na]+ |[iso-2] 921.7510 LC-MS/MS [M+Na]+ C57H102O7Na+ GL03
LMPTD00000415 TG 18:1_18:1_18:3;OH #[M+Na]+ 919.7355 LC-MS/MS [M+Na]+ C57H100O7Na+ GL03
LMPTD00000416 TG 16:0_18:1_18:1;OH #[M+Na]+ 897.7528 LC-MS/MS [M+Na]+ C55H102O7Na+ GL03
LMPTD00000417 TG 18:0_18:2_18:2;OH #[M+Na]+ 921.7506 LC-MS/MS [M+Na]+ C57H102O7Na+ GL03
LMPTD00000418 TG 18:1_18:1_18:2;O2 #[M+Na]+ 937.7453 LC-MS/MS [M+Na]+ C57H102O8Na+ GL03
LMPTD00000419 TG 16:0_18:1_18:2;O2 #[M+Na]+ |[iso-3] 911.7308 LC-MS/MS [M+Na]+ C55H100O8Na+ GL03
LMPTD00000420 TG 16:0_18:1_18:2;O2 #[M+Na]+ 911.7298 LC-MS/MS [M+Na]+ C55H100O8Na+ GL03
LMPTD00000421 TG 16:0_18:1_20:3;OH #[M+Na]+ 921.7510 LC-MS/MS [M+Na]+ C57H102O7Na+ GL03
LMPTD00000422 TG 16:0_18:2_18:2;OH #[M+Na]+ 893.7197 LC-MS/MS [M+Na]+ C55H98O7Na+ GL03
LMPTD00000423 TG 16:0_18:1_18:2;oxo #[M+Na]+ 893.7197 LC-MS/MS [M+Na]+ C55H98O7Na+ GL03
LMPTD00000424 TG 16:0_18:0_18:2;OH #[M+Na]+ |[iso-2] 897.7525 LC-MS/MS [M+Na]+ C55H102O7Na+ GL03

Partial Spectra DB confidence stars:

  •  have head group/important substructure identified
    • e.g., oxCE with cholesterol main fragments, and precursor formula indicates there is a FA 18:2;O
    • This lipid is annotated as: CE 18:2;O [2 stars]
  •   have head group + some substructures identified, and the rest can be guessed from the formula
    • e.g., oxTG with one FA 18:1 and one FA 20:4;O with a water loss from FA 20:4;OH
    • From precursor formula, there should be an FA 16:0 but not identified (1 missing substructure)
    • This lipid is annotated as: TG 16:0_18:1_20:4;OH [3 stars]
  •  All substructures are identified, although some positions/connections have uncertainties
    • e.g., oxPE with PE head group, one FA 16:0, and one FA 18:3;O with corresponding water loss
    • All main substructures are identified. But sn1/sn2, location of the C=C, cis/trans, R/S not clear
    • This lipid is annotated as: PE 16:0_18:3;OH [4 stars]

Above identifications are adapted from the Lipostar identification system (PMID: 28471643) and tuned to fit the partially annotated features. The number of stars is associated with the level of assigned substructures, the higher the number of stars, the more detailed lipid substructure annotated.