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. 2018 Jan 13;9(17):13231–13243. doi: 10.18632/oncotarget.24229

Table 1. Differentially expressed lipids (DEL) between T24S and T24R in positive or negative ion mode.

Mode Identifier Annotation InChI Key Species m/z RT P-value Q-value Log2FC Mean normalized intensity
S- R-
Positive 10.30_719.57 CE (22:6) VOEVEGPMRIYYKC
-HNJOWPRISA-N
[M+Na]+ 719.5729 10.30 0.0116 0.0911 1.4461 7881.9 21476.0
4.93_768.55 PC (35:4) OROZWUJCDDCYAU
-IPUAOQJZSA-N
[M+H]+ 768.5528 4.93 0.0204 0.0948 0.6450 18501.8 28933.0
4.47_778.54 PC (36:6) SPWBDEZMKCRQSX
-NGPPOSSDSA-N
[M+H]+ 778.5385 4.47 0.0048 0.0931 0.6402 14238.8 22192.0
5.70_724.53 PE (p-36:4)
/ PE (o-36:5)
ADWDFBQPQIEGRZ
-XBICFDGKSA-N
[M+H]+ 724.5279 5.70 0.0002 0.0301 –0.6337 403765.9 260236.6
6.39_752.56 PE (p-38:4)
/ PE (o-38:5)
ZTZQZGHJLWFLFQ
-VZBWJDOASA-N
[M+H]+ 752.5591 6.39 0.0142 0.0897 –0.8247 239093.0 134988.5
6.40_778.57 PE (p-40:5)
/ PE (o-40:6)
HHQFKPJXVYWLLJ
-ABYSKWQHSA-N
[M+H]+ 778.5743 6.40 0.0185 0.0951 –0.6302 80510.8 52015.6
7.15_813.68
_7.15_835.67
SM (d42:2) DACOGJMBYLZYDH
-GXJPFUDISA-N
[M+H]+
_[M+Na]+
813.6848
_835.6658
7.15 0.0070 0.0814 1.2411 204780.6 484070.9
6.56_811.66
_6.55_833.65
SM (d42:3) TXFLWJQVQCDUDZ
-BRUGZULGSA-N
[M+H]+
_[M+Na]+
811.6624
_833.6505
6.56 0.0001 0.0558 4.3471 10492.5 213546.9
11.16_829.73
_11.17_824.77
TG (48:0) PVNIQBQSYATKKL
-UHFFFAOYSA-N
[M+H]+
_[M+NH4]+
829.7256
_824.7705
11.17 0.0060 0.0894 –1.7587 190985.2 56439.4
11.32_838.78 TG (49:0) TTWJTJMWHOYBPQ
-ANFMRNGASA-N
[M+NH4]+ 838.7829 11.32 0.0262 0.0989 –1.6911 15051.5 4661.4
10.96_841.73
_10.96_836.77
TG (49:1) VYYGQDOPVVYUKW
-UKFBYESTSA-N
[M+H]+
_[M+NH4]+
841.7263
_836.7709
10.96 0.0256 0.0993 –1.5552 64017.0 21784.1
11.56_857.76
_11.57_852.80
TG (50:0) MARPCPMDFOPPJX
-UHFFFAOYSA-N
[M+Na]+
_[M+NH4]+
857.7562
_852.8018
11.57 0.0177 0.0989 –2.0145 151586.5 37517.4
11.89_885.78
_11.91_880.84
TG (52:0) SDNYRTVJOFMYIW
-OIVUAWODSA-N
[M+H]+
_[M+NH4]+
885.784
_880.8354
11.90 0.0115 0.0920 –1.7912 96039.1 27748.3
10.69_898.79
_10.67_903.74
TG (54:5) OEJXMJPFOHYSIU
-GRLFFVHSSA-N
[M+NH4]+
_[M+Na]+
898.7855
_903.7415
10.68 0.0191 0.0941 –1.4113 212399.1 79854.1
Negative 4.40_733.55 SM (d32:1) KYICBZWZQPCUMO
-PSALXKTOSA-N
[M+Hac-H]- 733.5478 4.40 0.0001 0.0027 1.1264 18915.2 41295.4
7.15_871.69 SM (d42:2) B DACOGJMBYLZYDH
-GXJPFUDISA-N
[M+Hac-H]- 871.6894 7.15 0.0012 0.0212 1.2472 46562.3 110528.3

Annotated DELs with q-value less than 0.1 were shown. The full list of DELs was included in Supplementary Table 2 and 3. For each DEL, unique identifier given as RT, m/z, annotation identified by MS-Dial, InChI key, formula of the lipid, m/z, retention time (RT), p-value, q-value, log2-transformed fold-change (log2FC), and mean normalized intensities were shown.