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. 2022 Dec 29;11(1):A0112. doi: 10.5702/massspectrometry.A0112

Table 4. Assigned peaks for negative ion mode obtained from the SFE of a single HeLa cell. A number followed by a ‘+’ sign represents the additional number of structures that match the formula listed in the LipidMaps database.

m/z (error (σ mDa)) Abundance RSD Formula +isomers Exact m/z
171.139 (±0.3) 52787 51% C10H20O2 [M−H] +1 171.139
194.994 (±2.0) 1561 76% C9H8OS2 [M−H] +1 194.994
239.201 (±1.4) 6906 52% C15H28O2 [M−H] +1 239.202
294.183 (±1.5) 3139 15% C17H26O4 [M] 294.184
299.201 (±2.2) 20520 123% C20H28O2 [M−H] +1 299.202
301.217 (±0.7) 19337 135% C20H30O2 [M−H] +1 301.217
303.233 (±0.5) 8836 135% C20H32O2 [M−H] +42 303.233
381.374 (±1.6) 279 9% C25H50O2 [M−H] +8 381.374
425.340 (±1.1) 1659 20% C27H43N3O [M] 425.341
455.390 (±1.6) 1110 54% C31H52O2 [M−H] +1 455.389
Tetracosenoic acid 10299 40% C24H46O2 [M−H] 455.389