Partial Spectra DB

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Search results for Class

LMSD class = GL05
ID Name m/z Strategy Adduct Putative formula LMSD Class Confidence
LMPTD00000235 DGDG 32:0 | DGDG 16:0_16:0 # [M+NH4]+ 910.6473 LC-MS/MS [M+NH4]+ C47H92NO15 GL05
LMPTD00000236 DGDG 34:2 | DGDG 16:0_18:2 # [M+NH4]+ 934.6502 LC-MS/MS [M+NH4]+ C49H92NO15 GL05
LMPTD00000237 DGDG 33:2 | DGDG 15:0_18:2 # [M+NH4]+ 920.6299 LC-MS/MS [M+NH4]+ C48H90NO15 GL05
LMPTD00000238 DGDG 35:2 | DGDG 17:0_18:2 # [M+NH4]+ 948.6639 LC-MS/MS [M+NH4]+ C50H94NO15 GL05
LMPTD00000239 DGDG 32:2 | DGDG 14:0_18:2 # [M+NH4]+ || DGDG 32:2 | DGDG 16:1_16:1 # [M+NH4]+ 906.6173 LC-MS/MS [M+NH4]+ C47H88NO15 GL05
LMPTD00000240 DGDG 32:3 | DGDG 14:0_18:3 # [M+NH4]+ || DGDG 32:3 | DGDG 16:1_16:2 # [M+NH4]+ 904.6010 LC-MS/MS [M+NH4]+ C47H86NO15 GL05
LMPTD00000241 DGDG 35:3A | DGDG 19:1_16:2 # [M+NH4]+ || DGDG 35:3B | DGDG 17:0_18:3 # [M+NH4]+ 946.6483 LC-MS/MS [M+NH4]+ C50H92NO15 GL05
LMPTD00000242 DGDG 34:6 | DGDG 16:3_18:3 # [M+NH4]+ 926.5860 LC-MS/MS [M+NH4]+ C49H84NO15 GL05
LMPTD00000243 DGDG 34:0 | DGDG 16:0_18:0 # [M+NH4]+ 938.6788 LC-MS/MS [M+NH4]+ C49H96NO15 GL05
LMPTD00000244 DGDG 34:4 | DGDG 16:2_18:2 # [M+NH4]+ 930.6169 LC-MS/MS [M+NH4]+ C49H88NO15 GL05
LMPTD00000245 DGDG 34:3 | DGDG 16:1_18:2 # [M+NH4]+ 932.6325 LC-MS/MS [M+NH4]+ C49H90NO15 GL05
LMPTD00000246 DGDG 32:1 | DGDG 14:0_18:1 # [M+NH4]+ || DGDG 32:1 | DGDG 16:0_16:1 # [M+NH4]+ 908.6303 LC-MS/MS [M+NH4]+ C47H90NO15 GL05
LMPTD00000247 DGDG 36:3 | DGDG 18:1_18:2 # [M+NH4]+ 960.6632 LC-MS/MS [M+NH4]+ C51H94NO15 GL05
LMPTD00000248 DGDG 32:4 | DGDG 14:1_18:3 # [M+NH4]+ 902.5857 LC-MS/MS [M+NH4]+ C47H84NO15 GL05
LMPTD00000249 DGDG 36:4 | DGDG 18:2_18:2 # [M+NH4]+ 958.6476 LC-MS/MS [M+NH4]+ C51H92NO15 GL05
LMPTD00000250 DGDG 34:5 | DGDG 18:2_16:3 # [M+NH4]+ 928.6010 LC-MS/MS [M+NH4]+ C49H86NO15 GL05
LMPTD00000251 DGDG 36:1 | DGDG 17:0_19:1 # [M+NH4]+ 964.6954 LC-MS/MS [M+NH4]+ C51H98NO15 GL05
LMPTD00000252 DGDG 36:6 | DGDG 18:3_18:3 # [M+NH4]+ 954.6161 LC-MS/MS [M+NH4]+ C51H88NO15 GL05
LMPTD00000253 DGDG 35:1A | DGDG 16:0_19:1 # [M+NH4]+ || DGDG 35:1B | DGDG 17:0_18:1 # [M+NH4]+ 950.6790 LC-MS/MS [M+NH4]+ C50H96NO15 GL05
LMPTD00000254 DGDG 36:5 | DGDG 18:2_18:3 # [M+NH4]+ 956.6323 LC-MS/MS [M+NH4]+ C51H90NO15 GL05
LMPTD00000255 DGDG 33:0 | DGDG 16:0_17:0 # [M+NH4]+ 924.6631 LC-MS/MS [M+NH4]+ C48H94NO15 GL05
LMPTD00000256 DGDG 36:2 | DGDG 18:1_18:1 # [M+NH4]+ 962.6791 LC-MS/MS [M+NH4]+ C51H96NO15 GL05
LMPTD00000257 DGDG 34:1 | DGDG 16:0_18:1 # [M+NH4]+ 936.6620 LC-MS/MS [M+NH4]+ C49H94NO15 GL05
LMPTD00000258 MGDG 32:2 | MGDG 16:1_16:1 # [M+NH4]+ 744.5586 LC-MS/MS [M+NH4]+ C41H78NO10 GL05
LMPTD00000259 MGDG 36:4 | MGDG 18:2_18:2 # [M+NH4]+ 796.5949 LC-MS/MS [M+NH4]+ C45H82NO10 GL05
LMPTD00000260 MGDG 36:2 | MGDG 18:1_18:1 # [M+NH4]+ 800.6269 LC-MS/MS [M+NH4]+ C45H86NO10 GL05
LMPTD00000261 MGDG 34:4 | MGDG 16:2_18:2 # [M+NH4]+ 768.5633 LC-MS/MS [M+NH4]+ C43H78NO10 GL05
LMPTD00000262 MGDG 32:3 | MGDG 16:1_16:2 # [M+NH4]+ 742.5456 LC-MS/MS [M+NH4]+ C41H76NO10 GL05
LMPTD00000263 MGDG 36:6 | MGDG 18:3_18:3 # [M+NH4]+ 792.5649 LC-MS/MS [M+NH4]+ C45H78NO10 GL05
LMPTD00000264 MGDG 34:3 | MGDG 16:1_18:2 # [M+NH4]+ 770.5776 LC-MS/MS [M+NH4]+ C43H80NO10 GL05
LMPTD00000265 MGDG 32:5 | MGDG 16:2_16:3 # [M+NH4]+ 738.5106 LC-MS/MS [M+NH4]+ C41H72NO10 GL05
LMPTD00000266 MGDG 36:5 | MGDG 18:2_18:3 # [M+NH4]+ 794.5789 LC-MS/MS [M+NH4]+ C45H80NO10 GL05
LMPTD00000267 MGDG 34:5 | MGDG 16:2_18:3 # [M+NH4]+ 766.5410 LC-MS/MS [M+NH4]+ C43H76NO10 GL05
LMPTD00000268 SQDG 32:0 | SQDG 16:0_16:0 # [M-H]- 793.5149 LC-MS/MS [M-H]- C41H77O12S GL05
LMPTD00000269 SQDG 34:2 # [M-H]- 817.5154 LC-MS/MS [M-H]- C43H77O12S GL05
LMPTD00000270 SQDG 34:4 # [M-H]- 813.4839 LC-MS/MS [M-H]- C43H73O12S GL05
LMPTD00000271 SQDG 36:4 # [M-H]- 841.5173 LC-MS/MS [M-H]- C45H77O12S GL05
LMPTD00000272 SQDG 34:0 # [M-H]- 821.5465 LC-MS/MS [M-H]- C43H81O12S GL05
LMPTD00000273 SQDG 34:1 # [M-H]- 819.5304 LC-MS/MS [M-H]- C43H79O12S GL05
LMPTD00000274 SQDG 32:3 # [M-H]- 787.4678 LC-MS/MS [M-H]- C41H71O12S GL05
LMPTD00000275 SQDG 34:5 # [M-H]- 811.4682 LC-MS/MS [M-H]- C43H71O12S GL05
LMPTD00000276 SQDG 35:2 # [M-H]- 831.5316 LC-MS/MS [M-H]- C44H79O12S GL05

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.