TABLE 2.
The differential metabolites identified in hemolymph.
Metabolites | m/z | RT(min) | Adducts | Formula | Score | P | FM15/FM25 | FM5/FM25 |
Positive | ||||||||
PC(18:0/0:0) | 524.3703 | 11.55 | M + H | C26H54NO7P | 48.7 | 0.00 | 0.45 | 0.29 |
PC(14:0/20:5) | 752.5216 | 14.33 | M + H | C42H74NO8P | 53.9 | 0.00 | 0.48 | 0.15 |
PC(18:2/20:5) | 826.5355 | 14.57 | M + H | C46H78NO8P | 44.4 | 0.00 | 0.47 | 0.17 |
PC(14:1/22:6) | 776.5221 | 14.7 | M + H | C44H74NO8P | 48.3 | 0.00 | 0.63 | 0.28 |
PC(P-16:0/18:4) | 760.5224 | 14.71 | M + H | C42H76NO7P | 52.6 | 0.00 | 0.44 | 0.18 |
PC(14:0/18:2) | 820.5112 | 14.76 | M + H | C40H76NO8P | 45 | 0.00 | 0.77 | 0.43 |
PC(16:1/18:2) | 778.5346 | 14.87 | M + H | C42H78NO8P | 52.4 | 0.00 | 0.78 | 0.40 |
PE(18:3/22:4) | 790.5397 | 14.95 | M + H | C45H76NO8P | 42.1 | 0.00 | 0.76 | 0.40 |
PC(16:0/22:6) | 828.5493 | 15.19 | M + H | C46H80NO8P | 50.8 | 0.00 | 0.57 | 0.28 |
PC(14:0/18:1) | 754.5335 | 15.27 | M + H | C40H78NO8P | 42.6 | 0.00 | 0.88 | 0.56 |
PC(18:2/22:5) | 854.5643 | 15.28 | M + H | C48H82NO8P | 48.8 | 0.00 | 0.53 | 0.25 |
SM(d17:1/17:0) | 725.5538 | 15.31 | M + H | C39H79N2O6P | 53.5 | 0.00 | 1.43 | 1.60 |
PC(P-16:0/20:4) | 788.5516 | 15.37 | M + H | C44H80NO7P | 54.6 | 0.00 | 0.59 | 0.28 |
PS(18:0/20:3) | 814.5637 | 15.69 | M + H | C44H80NO10P | 48.1 | 0.00 | 0.71 | 0.43 |
PE(18:0/22:6) | 840.5783 | 15.75 | M + CH3OH + H | C45H78NO9P | 51 | 0.00 | 0.53 | 0.31 |
LacCer(d18:1/14:0) | 816.5819 | 15.93 | M + H - H2O | C44H83NO13 | 40.4 | 0.00 | 0.60 | 0.30 |
LacCer(d18:1/14:0) | 856.5773 | 15.98 | M + H | C44H83NO13 | 41.5 | 0.00 | 0.59 | 0.35 |
PC(20:3/P-18:1) | 794.5981 | 16.25 | M + H | C46H84NO7P | 45.2 | 0.00 | 0.58 | 0.38 |
PS(21:0/20:5) | 884.5988 | 16.59 | M + CH3OH + H | C47H82NO10P | 46.1 | 0.00 | 0.60 | 0.39 |
LacCer(d18:1/16:0) | 844.6112 | 16.97 | M + H - H2O | C46H87NO13 | 44.1 | 0.00 | 0.46 | 0.21 |
Oceanalin A | 864.6049 | 18.01 | M + H | C41H72N2O9 | 52.2 | 0.00 | 1.59 | 2.18 |
DAT(16:0/23:0) | 927.7087 | 18.15 | M + H - H2O | C53H100O13 | 44.2 | 0.00 | 12.09 | 12.89 |
Cer(d18:1/24:1) | 912.6259 | 18.18 | M + H - H2O | C48H91NO11S | 42.7 | 0.00 | 0.75 | 0.55 |
PC(22:0/16:1) | 838.6227 | 18.34 | M + H | C46H90NO8P | 44 | 0.00 | 1.65 | 1.82 |
TG(18:4/18:4/20:4) | 927.7082 | 18.67 | M + CH3OH + H | C59H90O6 | 40.1 | 0.00 | 5.25 | 4.77 |
Negative | ||||||||
Diethylenetriamine | 509.2746 | 1.99 | 2M - H | C14H22ClNO | 48.9 | 0.00 | 0.89 | 3.04 |
Crustecdysone | 525.3059 | 2.12 | M - H, M + FA - H | C27H44O7 | 57.6 | 0.00 | 0.89 | 3.87 |
2-ethyl butanoate | 258.0793 | 2.21 | M + FA - H | C10H15NO2S | 51.8 | 0.00 | 0.49 | 0.11 |
Monocrotaline | 324.1474 | 2.21 | M - H | C16H23NO6 | 48.7 | 0.01 | 1.54 | 1.45 |
Macaridine | 260.0941 | 2.31 | M + FA - H | C13H13NO2 | 54 | 0.00 | 0.43 | 0.16 |
5-Amino-benzopyran-4-one | 306.1371 | 2.38 | M - H | C16H21NO5 | 51.5 | 0.00 | 3.50 | 2.83 |
noroxymorphone | 286.1107 | 2.56 | M - H | C16H17NO4 | 51.2 | 0.00 | 0.33 | 0.07 |
5-Amino-4-chromanone | 274.1108 | 2.96 | M - H, M + FA - H | C15H17NO4 | 54 | 0.00 | 0.08 | 0.04 |
Taurohyocholic acid | 514.2841 | 3.17 | M - H | C26H45NO7S | 40.5 | 0.00 | 1.07 | 0.06 |
Psychosine sulfate | 540.2848 | 8.65 | M - H | C24H47NO10S | 41.9 | 0.00 | 0.24 | 0.02 |
N-Undecylbenzenesulfonic acid | 311.1674 | 9.09 | M - H | C17H28O3S | 55.6 | 0.00 | 1.18 | 1.86 |
4-Dodecylbenzenesulfonic Acid | 325.1833 | 10 | M - H | C18H30O3S | 56.1 | 0.00 | 1.24 | 2.24 |
LysoPC(16:0) | 540.3305 | 10.09 | M + FA - H | C24H50NO7P | 56.8 | 0.00 | 0.46 | 0.27 |
LysoPE(0:0/16:0) | 452.2772 | 10.32 | M - H | C21H44NO7P | 40.6 | 0.00 | 0.24 | 0.09 |
LysoPC(18:1) | 566.3459 | 10.46 | M + FA - H | C26H52NO7P | 58.3 | 0.00 | 0.56 | 0.37 |
LysoPE(P-16:0) | 436.2826 | 11.01 | M - H | C21H44NO6P | 53 | 0.00 | 0.46 | 0.28 |
LysoPC(18:0) | 568.3621 | 11.54 | M + FA - H | C26H54NO7P | 56.2 | 0.00 | 0.47 | 0.28 |
LysoPC(O-18:0) | 554.3822 | 12.08 | M + FA - H | C26H56NO6P | 53.9 | 0.00 | 0.62 | 0.47 |
DHA | 327.2319 | 12.09 | M - H | C22H32O2 | 41.3 | 0.00 | 0.54 | 0.38 |
LysoPE(P-18:0) | 464.3146 | 12.31 | M - H, 2M - H | C23H48NO6P | 41.4 | 0.00 | 0.55 | 0.32 |
PS(19:1/22:6) | 846.5325 | 14.16 | M - H | C47H78NO10P | 53.7 | 0.00 | 0.49 | 0.15 |
PC(20:5/22:6) | 896.5469 | 14.34 | M + FA - H | C50H78NO8P | 48.1 | 0.00 | 0.46 | 0.18 |
PC(22:6/18:3) | 872.5463 | 14.42 | M + FA - H | C48H78NO8P | 48.5 | 0.00 | 0.46 | 0.19 |
PC(16:1/18:3) | 798.5292 | 14.45 | M + FA - H | C42H76NO8P | 58.2 | 0.00 | 0.64 | 0.20 |
PE(19:1/22:6) | 848.5476 | 14.55 | M + FA - H | C46H78NO8P | 47.8 | 0.00 | 0.47 | 0.15 |
PE(17:1/22:4) | 824.5467 | 14.61 | M + FA - H | C44H78NO8P | 57.1 | 0.00 | 0.78 | 0.29 |
7-Ketodeoxycholic acid | 811.5309 | 14.63 | 2M - H | C24H38O5 | 42.3 | 0.00 | 0.72 | 0.39 |
PE(15:0/22:4) | 798.5303 | 14.68 | M + FA - H | C42H76NO8P | 49.9 | 0.00 | 0.58 | 0.20 |
PE(18:0/20:4) | 782.5346 | 14.69 | M - H | C43H78NO9P | 45.5 | 0.00 | 0.40 | 0.10 |
PC(15:0/17:2) | 774.5305 | 14.74 | M + FA - H | C40H76NO8P | 44.6 | 0.00 | 0.78 | 0.37 |
PC(18:2/22:6) | 874.563 | 14.79 | M + FA - H | C48H80NO8P | 55.8 | 0.00 | 0.49 | 0.17 |
PE(20:2/22:6) | 814.5347 | 14.79 | M - H | C47H78NO8P | 46.9 | 0.00 | 0.62 | 0.34 |
PE-Cer(22:0/d14:1) | 733.5504 | 14.88 | M + FA - H | C38H77N2O6P | 54.3 | 0.00 | 1.74 | 2.20 |
PE(19:0/20:5) | 824.5472 | 14.91 | M + FA - H | C44H78NO8P | 46.7 | 0.00 | 0.90 | 0.55 |
PE(16:0/20:2) | 788.5402 | 15.06 | M + FA - H | C41H78NO8P | 43.6 | 0.00 | 0.89 | 0.63 |
PE(20:0/20:5) | 838.5614 | 15.13 | M + FA - H | C45H80NO8P | 45.9 | 0.00 | 0.66 | 0.34 |
PE(16:0/20:5) | 736.4937 | 15.13 | M - H | C41H72NO8P | 43.3 | 0.00 | 0.66 | 0.28 |
PC(18:1/20:5) | 850.5626 | 15.17 | M + FA - H | C46H80NO8P | 53.8 | 0.00 | 0.67 | 0.33 |
PE(P-16:0/22:6) | 762.5101 | 15.21 | M - H | C43H74NO8P | 51.2 | 0.00 | 0.70 | 0.31 |
PE-Cer(21:0/d16:1) | 747.567 | 15.3 | M + FA - H | C39H79N2O6P | 50.7 | 0.00 | 2.17 | 3.19 |
PC(O-16:0/20:5) | 810.5667 | 15.35 | M + FA - H | C44H80NO7P | 55.5 | 0.00 | 0.67 | 0.30 |
PS(19:0/22:4) | 852.5772 | 15.37 | M - H | C47H84NO10P | 57.6 | 0.00 | 0.68 | 0.43 |
PE(P-16:0/20:5) | 720.4974 | 15.54 | M - H | C41H72NO7P | 54.4 | 0.00 | 1.01 | 0.61 |
PC(18:0/20:5) | 852.5777 | 15.64 | M + FA - H | C46H82NO8P | 50.1 | 0.00 | 0.79 | 0.50 |
PC(P-18:1/20:4) | 836.5818 | 15.67 | M + FA - H | C46H82NO7P | 53.5 | 0.00 | 0.66 | 0.34 |
PC(O-16:0/22:5) | 838.5968 | 15.9 | M + FA - H | C46H84NO7P | 49.5 | 0.00 | 0.59 | 0.27 |
GPEtn(18:0/20:5) | 764.5247 | 15.92 | M - H | C43H76NO8P | 40.5 | 0.00 | 0.89 | 0.51 |
PI(15:0/22:0) | 879.5952 | 15.95 | M - H | C46H89O13P | 53.2 | 0.00 | 0.68 | 0.43 |
PS(21:0/20:4) | 898.5784 | 16.17 | M + FA - H | C47H84NO10P | 53.1 | 0.00 | 1.73 | 2.69 |
PC(18:0/22:5) | 880.608 | 16.23 | M + FA - H | C48H86NO8P | 47.2 | 0.00 | 0.61 | 0.37 |
PC(O-16:0/22:5) | 838.5971 | 16.23 | M + FA - H | C46H84NO7P | 45.3 | 0.00 | 0.58 | 0.34 |
cholestan-oic acid | 913.6015 | 16.37 | 2M + FA - H | C26H42O5 | 43.6 | 0.00 | 1.40 | 1.98 |
PE(21:0/20:3) | 856.6073 | 16.38 | M + FA - H | C46H86NO8P | 55.7 | 0.00 | 0.83 | 0.62 |
PE(16:0/18:1) | 716.5243 | 16.41 | M - H | C39H76NO8P | 57.5 | 0.00 | 1.76 | 1.90 |
PC(P-18:1/22:5) | 862.5921 | 16.44 | M + FA - H | C48H84NO7P | 49 | 0.00 | 0.55 | 0.42 |
PE(P-18:0/20:5) | 748.533 | 16.46 | M - H | C43H76NO7P | 55.6 | 0.00 | 0.97 | 0.65 |
Lactosylceramide (16:0/d18:1) | 906.6074 | 16.55 | M + FA - H | C46H87NO13 | 40.8 | 0.00 | 0.64 | 0.44 |
PE(18:0/20:1) | 818.5904 | 16.57 | M + FA - H | C43H84NO8P | 40.8 | 0.00 | 1.44 | 1.64 |
PS(21:0/22:4) | 880.6069 | 16.59 | M - H | C49H88NO10P | 40.8 | 0.00 | 0.70 | 0.51 |
PC(O-18:0/22:6) | 864.611 | 16.61 | M + FA - H | C48H86NO7P | 53.2 | 0.00 | 0.44 | 0.20 |
DG(18:1/20:5/0:0) | 685.5027 | 16.84 | M + FA - H | C41H68O5 | 47.5 | 0.02 | 0.60 | 0.38 |
PE(P-18:0/22:6) | 774.5461 | 16.86 | M - H | C45H78NO7P | 52.3 | 0.03 | 0.98 | 0.66 |
PE(P-18:0/20:4) | 750.5435 | 17.18 | M - H | C43H78NO7P | 53.4 | 0.00 | 1.60 | 2.23 |
PC(P-18:0/20:2) | 842.6296 | 17.29 | M + FA - H | C46H88NO7P | 52.3 | 0.00 | 1.39 | 1.67 |
PE(18:1/18:0) | 744.5521 | 17.55 | M - H | C41H80NO8P | 42 | 0.00 | 2.21 | 3.09 |
PE(P-16:0/18:0) | 702.543 | 17.59 | M - H | C39H78NO7P | 47.5 | 0.00 | 1.80 | 2.86 |
PE(22:0/18:1) | 846.6216 | 17.72 | M + FA - H | C45H88NO8P | 48.1 | 0.01 | 1.62 | 1.61 |
PE(O-20:0/19:1) | 818.6284 | 17.95 | M + FA - H | C44H88NO7P | 51.9 | 0.00 | 2.29 | 2.86 |