#METABOLOMICS WORKBENCH HaileyHeil_20181129_083056 DATATRACK_ID:1575 STUDY_ID:ST001102 ANALYSIS_ID:AN001791 PROJECT_ID:PR000727 VERSION 1 CREATED_ON December 3, 2018, 5:19 pm #PROJECT PR:PROJECT_TITLE Lipidomics analysis of crab megalopae and juveniles in response to ocean PR:PROJECT_TITLE acidification. PR:PROJECT_SUMMARY Use of lipidomics analysis of crab megalopae and juvenile crabs using UPLC and PR:PROJECT_SUMMARY MS. PR:INSTITUTE UC Davis PR:LAST_NAME Fiehn PR:FIRST_NAME Oliver PR:ADDRESS 1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, PR:ADDRESS CA 95616 PR:EMAIL ofiehn@ucdavis.edu PR:PHONE (530) 754-8258 #STUDY ST:STUDY_TITLE Physiological and metabolic response of crab megalopae and juveniles to ocean ST:STUDY_TITLE acidification ST:STUDY_SUMMARY Young crab samples were placed into 1 of 4 treatment groups to understand their ST:STUDY_SUMMARY metabolic response to ocean acidification and dissolved oxygen content. ST:INSTITUTE NOAA NWFSC ST:DEPARTMENT CB Division ST:LAST_NAME Nichols ST:FIRST_NAME Krista ST:ADDRESS N/A ST:EMAIL krista.nichols@noaa.gov ST:PHONE 206-302-2470 #SUBJECT SU:SUBJECT_TYPE Invertebrate SU:SUBJECT_SPECIES Metacarcinus magister SU:TAXONOMY_ID 29965 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - M5B2_1 ph treatment:High | DO treatment:High | Treatment Duration (days):30 SUBJECT_SAMPLE_FACTORS - M11C2_2 ph treatment:High | DO treatment:Low | Treatment Duration (days):30 SUBJECT_SAMPLE_FACTORS - M3A7_3 ph treatment:Low | DO treatment:High | Treatment Duration (days):30 SUBJECT_SAMPLE_FACTORS - M2B6_4 ph treatment:Low | DO treatment:High | Treatment Duration (days):30 SUBJECT_SAMPLE_FACTORS - M2B3_5 ph treatment:Low | DO treatment:High | Treatment Duration (days):30 SUBJECT_SAMPLE_FACTORS - M2C1_6 ph treatment:Low | DO treatment:High | Treatment Duration (days):30 SUBJECT_SAMPLE_FACTORS - M6A6_7 ph treatment:Low | DO treatment:Low | Treatment Duration (days):30 SUBJECT_SAMPLE_FACTORS - M8B2_8 ph treatment:High | DO treatment:High | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M4B1_9 ph treatment:High | DO treatment:Low | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M3C3_10 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M3B2_11 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M3A2_12 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M2B4_13 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M1C2_14 ph treatment:Low | DO treatment:Low | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M6B3_15 ph treatment:Low | DO treatment:Low | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M1C1_16 ph treatment:Low | DO treatment:Low | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M10A7_17 ph treatment:High | DO treatment:Low | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M6A5_18 ph treatment:Low | DO treatment:Low | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M1A1_19 ph treatment:Low | DO treatment:Low | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M1B2_20 ph treatment:Low | DO treatment:Low | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M1C5_21 ph treatment:Low | DO treatment:Low | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M11B2_22 ph treatment:High | DO treatment:Low | Treatment Duration (days):33 SUBJECT_SAMPLE_FACTORS - M2A3_23 ph treatment:Low | DO treatment:High | Treatment Duration (days):33 SUBJECT_SAMPLE_FACTORS - M5D7_24 ph treatment:High | DO treatment:High | Treatment Duration (days):30 SUBJECT_SAMPLE_FACTORS - M5B3_25 ph treatment:High | DO treatment:High | Treatment Duration (days):30 SUBJECT_SAMPLE_FACTORS - M7C6_26 ph treatment:High | DO treatment:High | Treatment Duration (days):30 SUBJECT_SAMPLE_FACTORS - M10C5_27 ph treatment:High | DO treatment:Low | Treatment Duration (days):30 SUBJECT_SAMPLE_FACTORS - M12A1_28 ph treatment:High | DO treatment:High | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M8D2_29 ph treatment:High | DO treatment:High | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M7D6_30 ph treatment:High | DO treatment:High | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M3D5_31 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M1C4_32 ph treatment:Low | DO treatment:Low | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M6D2_33 ph treatment:Low | DO treatment:Low | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M12D3_34 ph treatment:High | DO treatment:High | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M10B5_35 ph treatment:High | DO treatment:Low | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M2C4_36 ph treatment:Low | DO treatment:High | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M3D6_37 ph treatment:Low | DO treatment:High | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M4D4_38 ph treatment:High | DO treatment:Low | Treatment Duration (days):33 SUBJECT_SAMPLE_FACTORS - M1D7_39 ph treatment:Low | DO treatment:Low | Treatment Duration (days):33 SUBJECT_SAMPLE_FACTORS - M6C2_40 ph treatment:Low | DO treatment:Low | Treatment Duration (days):33 SUBJECT_SAMPLE_FACTORS - M1D1_41 ph treatment:Low | DO treatment:Low | Treatment Duration (days):33 SUBJECT_SAMPLE_FACTORS - M7A5_42 ph treatment:High | DO treatment:High | Treatment Duration (days):33 SUBJECT_SAMPLE_FACTORS - M10A7_43 ph treatment:High | DO treatment:Low | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M11B2_44 ph treatment:High | DO treatment:Low | Treatment Duration (days):33 SUBJECT_SAMPLE_FACTORS - M6B6_45 ph treatment:Low | DO treatment:Low | Treatment Duration (days):33 SUBJECT_SAMPLE_FACTORS - M12A1_46 ph treatment:High | DO treatment:High | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M10D2_47 ph treatment:High | DO treatment:Low | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M11A2_48 ph treatment:High | DO treatment:Low | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M4D5_49 ph treatment:High | DO treatment:Low | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M2C6_50 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M2A1_51 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M6C3_52 ph treatment:Low | DO treatment:Low | Treatment Duration (days):31 SUBJECT_SAMPLE_FACTORS - M12B3_53 ph treatment:High | DO treatment:High | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M7D5_54 ph treatment:High | DO treatment:High | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M11D3_55 ph treatment:High | DO treatment:Low | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M10D3_56 ph treatment:High | DO treatment:Low | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M2B7_57 ph treatment:Low | DO treatment:High | Treatment Duration (days):32 SUBJECT_SAMPLE_FACTORS - M8C1_58 ph treatment:High | DO treatment:High | Treatment Duration (days):33 SUBJECT_SAMPLE_FACTORS - M12B4_59 ph treatment:High | DO treatment:High | Treatment Duration (days):33 SUBJECT_SAMPLE_FACTORS - M11A7_60 ph treatment:High | DO treatment:Low | Treatment Duration (days):32 #COLLECTION CO:COLLECTION_SUMMARY After each crab completed the treatment for the predetermined length of time, CO:COLLECTION_SUMMARY crabs were frozen whole specimen at -80°C and shipped to the West Coast CO:COLLECTION_SUMMARY Metabolomics Center. CO:SAMPLE_TYPE Whole Animal #TREATMENT TR:TREATMENT_SUMMARY 15 crabs were placed into 1 of 4 treatment groups: High pH:High Dissolved TR:TREATMENT_SUMMARY Oxygen, High pH:Low Dissolved Oxygen, Low pH:Low Dissolved Oxygen, Low pH: High TR:TREATMENT_SUMMARY Dissolved Oxygen. Crabs were subjected to their treatment group for 30-33 days. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 15mg of whole crab was placed into a 1.5mL ependorph tube. 2 x 3mm grinding SP:SAMPLEPREP_SUMMARY beads were added to each sample. 225 µL of cold MeOH with quality controls was SP:SAMPLEPREP_SUMMARY added to each samples. Batches of samples were ground with GenoGrinder for 30 SP:SAMPLEPREP_SUMMARY seconds at 1500 rpm. 750µL of methyl tert-butyl Ether (MTBE) was added to each SP:SAMPLEPREP_SUMMARY sample. Samples were vortexed for 10 seconds and then shaken at 4°C for 5 SP:SAMPLEPREP_SUMMARY minutes using an Orbital Mixer. 188 uL of LC-MS grade water was added to each SP:SAMPLEPREP_SUMMARY sample. Vortex for 10 seconds and then centrifuged for 2 minutes at 14,000 rcf. SP:SAMPLEPREP_SUMMARY 2 x 350µL aliquots were removed from the top, organic layer, one submitted for SP:SAMPLEPREP_SUMMARY analysis and the other stored as backup in -20°C. 2 x 125µL aliquots were SP:SAMPLEPREP_SUMMARY removed from the bottom, polar layer, one submitted for analysis, the other SP:SAMPLEPREP_SUMMARY stored at -20°C for backup. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 CH:COLUMN_NAME Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) CH:FLOW_RATE 600µL/min CH:COLUMN_TEMPERATURE 65°C CH:COLUMN_PRESSURE 500-1000bar CH:SAMPLE_INJECTION 1.67µL #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Height MS_METABOLITE_DATA_START Samples M5B2_1 M11C2_2 M3A7_3 M2B6_4 M2B3_5 M2C1_6 M6A6_7 M8B2_8 M4B1_9 M3C3_10 M3B2_11 M3A2_12 M2B4_13 M1C2_14 M6B3_15 M1C1_16 M10A7_17 M6A5_18 M1A1_19 M1B2_20 M1C5_21 M11B2_22 M2A3_23 M5D7_24 M5B3_25 M7C6_26 M10C5_27 M12A1_28 M8D2_29 M7D6_30 M3D5_31 M1C4_32 M6D2_33 M12D3_34 M10B5_35 M2C4_36 M3D6_37 M4D4_38 M1D7_39 M6C2_40 M1D1_41 M7A5_42 M10A7_43 M11B2_44 M6B6_45 M12A1_46 M10D2_47 M11A2_48 M4D5_49 M2C6_50 M2A1_51 M6C3_52 M12B3_53 M7D5_54 M11D3_55 M10D3_56 M2B7_57 M8C1_58 M12B4_59 M11A7_60 Factors ph treatment:High | DO treatment:High | Treatment Duration (days):30 ph treatment:High | DO treatment:Low | Treatment Duration (days):30 ph treatment:Low | DO treatment:High | Treatment Duration (days):30 ph treatment:Low | DO treatment:High | Treatment Duration (days):30 ph treatment:Low | DO treatment:High | Treatment Duration (days):30 ph treatment:Low | DO treatment:High | Treatment Duration (days):30 ph treatment:Low | DO treatment:Low | Treatment Duration (days):30 ph treatment:High | DO treatment:High | Treatment Duration (days):31 ph treatment:High | DO treatment:Low | Treatment Duration (days):31 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 ph treatment:Low | DO treatment:Low | Treatment Duration (days):31 ph treatment:Low | DO treatment:Low | Treatment Duration (days):31 ph treatment:Low | DO treatment:Low | Treatment Duration (days):31 ph treatment:High | DO treatment:Low | Treatment Duration (days):32 ph treatment:Low | DO treatment:Low | Treatment Duration (days):32 ph treatment:Low | DO treatment:Low | Treatment Duration (days):32 ph treatment:Low | DO treatment:Low | Treatment Duration (days):32 ph treatment:Low | DO treatment:Low | Treatment Duration (days):32 ph treatment:High | DO treatment:Low | Treatment Duration (days):33 ph treatment:Low | DO treatment:High | Treatment Duration (days):33 ph treatment:High | DO treatment:High | Treatment Duration (days):30 ph treatment:High | DO treatment:High | Treatment Duration (days):30 ph treatment:High | DO treatment:High | Treatment Duration (days):30 ph treatment:High | DO treatment:Low | Treatment Duration (days):30 ph treatment:High | DO treatment:High | Treatment Duration (days):31 ph treatment:High | DO treatment:High | Treatment Duration (days):31 ph treatment:High | DO treatment:High | Treatment Duration (days):31 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 ph treatment:Low | DO treatment:Low | Treatment Duration (days):31 ph treatment:Low | DO treatment:Low | Treatment Duration (days):31 ph treatment:High | DO treatment:High | Treatment Duration (days):32 ph treatment:High | DO treatment:Low | Treatment Duration (days):32 ph treatment:Low | DO treatment:High | Treatment Duration (days):32 ph treatment:Low | DO treatment:High | Treatment Duration (days):32 ph treatment:High | DO treatment:Low | Treatment Duration (days):33 ph treatment:Low | DO treatment:Low | Treatment Duration (days):33 ph treatment:Low | DO treatment:Low | Treatment Duration (days):33 ph treatment:Low | DO treatment:Low | Treatment Duration (days):33 ph treatment:High | DO treatment:High | Treatment Duration (days):33 ph treatment:High | DO treatment:Low | Treatment Duration (days):32 ph treatment:High | DO treatment:Low | Treatment Duration (days):33 ph treatment:Low | DO treatment:Low | Treatment Duration (days):33 ph treatment:High | DO treatment:High | Treatment Duration (days):31 ph treatment:High | DO treatment:Low | Treatment Duration (days):31 ph treatment:High | DO treatment:Low | Treatment Duration (days):31 ph treatment:High | DO treatment:Low | Treatment Duration (days):31 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 ph treatment:Low | DO treatment:High | Treatment Duration (days):31 ph treatment:Low | DO treatment:Low | Treatment Duration (days):31 ph treatment:High | DO treatment:High | Treatment Duration (days):32 ph treatment:High | DO treatment:High | Treatment Duration (days):32 ph treatment:High | DO treatment:Low | Treatment Duration (days):32 ph treatment:High | DO treatment:Low | Treatment Duration (days):32 ph treatment:Low | DO treatment:High | Treatment Duration (days):32 ph treatment:High | DO treatment:High | Treatment Duration (days):33 ph treatment:High | DO treatment:High | Treatment Duration (days):33 ph treatment:High | DO treatment:Low | Treatment Duration (days):32 CE (22:1) [M+NH4]+ iSTD 216896 223388 192866 214886 241157 207507 159031 219995 197703 185882 174980 140529 131016 184171 209448 240771 221501 194478 197491 243030 229076 188516 155297 121502 204445 218101 161820 190064 137130 162863 176337 200757 207687 183930 228215 265821 169926 182854 201025 181203 165944 185836 194242 164771 191564 217503 241376 190115 225873 230733 170717 213921 170920 181844 207778 227219 244470 211504 158748 227081 Ceramide C17 [M+H-H2O]+ iSTD 30794 28823 28522 28431 31576 28531 19846 27230 24661 23740 22613 16980 19676 23956 27224 30219 28233 27944 24041 33702 26332 25874 20380 15747 25624 27402 19762 24318 18201 21983 22392 25403 26102 21583 33185 35628 19195 21120 25486 21854 21342 22837 25543 20586 28720 28925 32788 24266 35892 27787 21163 30618 21236 27082 28187 30507 36445 26727 17918 32784 Cholesterol d7 [M-H2O+H]+ iSTD 1665 1834 1394 1478 1658 1661 1439 1672 1527 1187 1357 1214 973 1002 1464 1575 1469 1528 1646 1835 1681 1749 1178 1271 1326 1661 1788 1314 1241 1193 1273 1354 1675 1826 1864 1717 1657 1301 1473 1429 1873 1649 846 1479 1984 1309 1421 1768 1655 1920 1434 1322 1474 1529 1665 1586 1733 1728 1347 2117 CUDA (pos) [M+H]+ iSTD 21046 20137 21690 21700 23831 19678 19021 21390 18972 20590 19559 18679 19063 22205 21847 22162 20911 19548 18767 22128 18206 20748 21580 19974 20453 21196 21714 19984 22568 20961 19175 22130 22426 20302 21080 21913 20043 19448 20739 19793 22440 23022 21466 20004 22311 19674 20880 20462 20357 22556 18048 21054 18793 22016 21600 20029 21300 17366 18377 22135 DG (12:0/12:0/0:0) [M+NH4]+ iSTD 16765 17297 15946 16980 17806 17048 13460 17983 17022 15404 14408 11844 12395 15355 15984 19109 17589 16581 16236 18850 17152 15678 12681 10355 16857 16319 11821 16104 11848 13405 14970 16721 17204 13944 17861 20016 12652 15394 15658 13856 13224 14293 15457 14259 16788 16730 18166 14874 17800 16975 13591 18035 12708 15598 17009 18532 19065 16197 11855 18095 DG (18:1/2:0/0:0) [M+NH4]+ iSTD 101818 110454 114089 113031 108717 106707 82204 102846 106913 97834 116372 71525 89086 96835 104762 119712 108823 97405 90951 131839 103605 97994 94656 63980 98387 108646 77555 100261 78754 89523 86577 94674 105520 87975 107091 121035 74656 88360 91347 85891 78746 89221 115602 87037 108289 104978 120732 90238 118253 105302 87570 111579 80189 97650 102123 109289 119192 95048 67640 118062 LPC (17:0) [M+H]+ iSTD 17770 16520 15288 15218 17392 15268 10619 15079 14151 13436 12768 9845 9723 12233 14479 17083 15546 14101 14217 18847 15727 14383 10953 8451 14602 17452 10965 13880 10138 12551 13121 15170 15148 14061 18075 19446 11473 12503 13745 12222 12437 12130 14233 12015 14659 15800 17349 13452 18635 15604 12219 16418 11349 16006 15966 16532 19897 13960 9320 18224 LPE (17:1) [M+H]+ iSTD 5022 4731 4501 4895 5028 4974 3421 4512 4441 4013 4115 3523 3842 3895 4659 5525 4844 4594 4330 6135 4597 4539 3426 3536 4595 5109 3438 4614 3461 3399 4020 4434 4972 4094 5646 6165 3778 4013 4222 3915 3932 3876 4464 3850 4528 4715 5303 4095 5749 4651 3638 4950 4039 4670 4659 5018 5446 4430 3272 5094 MG (17:0/0:0/0:0) [M+Na]+ iSTD 20378 22266 21895 19547 22104 21687 15350 20189 19157 16586 17642 12829 14539 16358 17361 22922 22389 19661 20137 22777 21719 19888 13967 10306 18142 19210 13225 20101 12634 14695 15722 18300 21820 14366 20498 26041 14863 16486 16293 17131 14024 16735 18000 16109 18510 22016 22929 16400 21004 20588 16932 19540 16231 16585 19840 23283 22736 19462 13510 20705 PC (25:0) [M+H]+ iSTD 1630 1553 1432 1533 1596 1638 1073 1345 1543 1175 1375 924 881 1080 1318 1541 1321 1259 1220 1554 1242 1313 1108 783 1237 1458 1045 1212 921 1270 1468 1314 1216 1321 1527 1597 940 1142 1225 1106 1235 1160 1380 1070 1170 1487 1472 1183 1545 1378 1120 1416 999 1385 1398 1352 1764 1405 797 1480 PE (17:0/17:0) [M+H]+ iSTD 9161 8194 8901 7889 8140 7409 5566 8251 5858 6810 6594 4834 6001 6646 7391 9158 8095 8068 6302 10149 7716 7538 5632 4091 6779 8258 5761 6500 5674 5563 5111 5547 5984 5923 6786 7818 5186 5206 5881 5147 4752 5065 5792 4656 6524 6350 7169 6000 7793 7777 5111 7050 5246 6114 6945 7159 8621 6200 4920 7631 SM (d35:1) [M+H]+ iSTD 20307 18738 21870 20136 16312 16968 13265 17811 15980 15806 14928 11807 14716 20248 22211 20419 17219 18070 14800 20536 14162 17227 15256 8016 15823 18949 12831 15350 12543 15744 15365 18047 15223 11711 23773 21129 10251 14501 18283 11597 13688 15242 19994 14591 22887 20134 25486 17697 30081 15975 13710 22469 10834 20303 21384 21457 22713 16922 12014 21221 Sphingosine (d17:1) [M+H]+ iSTD 7943 7048 7115 7394 8110 7384 5171 7130 6753 6148 6011 4752 5285 6181 7296 8065 7559 6637 6722 9147 6950 6933 5244 4224 6466 7631 5551 6856 4567 5610 5842 6745 7140 6806 8122 9833 5906 5730 6506 5736 5839 5744 7017 5037 6859 7022 8410 6585 8765 8096 5883 7289 5630 6716 6880 7848 9643 7206 4934 8444 TG (17:0/17:1/17:0) d5 [M+Na]+ iSTD 20215 20492 18171 18637 21778 19249 13787 19213 16424 15812 16324 12124 12965 16273 17553 26268 20193 17915 18131 25056 19913 17880 13377 10937 19791 20486 14410 16889 13178 13805 15114 16873 17217 15944 19662 23308 13856 14893 16608 15146 14757 15394 16422 13407 17789 18461 20618 17112 20912 19750 14973 20265 14142 16661 20411 19563 23606 18651 12971 21262 Acylcarnitine (16:0) [M+H]+ 19000 37109 24731 31664 12300 17606 24994 12618 21111 18958 14131 10884 17062 20775 18159 22404 31895 25895 11363 17969 12731 26340 39935 7425 17466 16138 14535 8403 12956 21332 35599 27464 19392 11843 20739 29748 8552 16802 18168 10928 18583 11456 50775 26712 29749 24920 40977 26229 43466 22838 23774 34872 18389 22177 34602 39458 23939 18335 7701 22069 Acylcarnitine (18:0) [M+H]+ 8112 12251 11067 13309 5819 7971 10623 6538 7343 8414 6901 4808 7519 8915 6957 8911 12130 10089 4348 7008 4443 10583 13492 3022 6700 7743 8321 3816 7202 10621 13557 10661 7415 4890 8996 12302 3858 7484 6460 4284 6358 4624 18608 8025 11908 10153 13401 9227 18026 8373 8601 11799 7029 9123 11382 15227 9748 6330 3228 7862 Acylcarnitine (18:1) [M+H]+ 12615 17819 9583 15516 9216 12288 13047 11214 18881 10205 8490 8450 10848 13077 12010 17318 15205 11307 7910 10340 10469 15050 15721 5030 10468 16021 14851 6687 6250 11428 13881 11829 11217 7501 14950 17637 5521 9796 12874 8932 11318 7963 13913 9248 21708 14673 17874 13696 16278 11163 11615 17223 9546 10075 15064 15873 14656 12679 6028 11139 Acylcarnitine (20:1) [M]+ 6171 11411 7533 9365 4267 7098 9287 6509 7747 10234 5611 5006 6085 10014 7835 8521 9483 7447 4167 5454 4553 8540 13361 2194 6707 6255 7990 2990 5607 9215 12147 7906 6077 5229 6994 8550 2618 6211 7554 4730 7412 3070 21965 6654 13254 9418 12231 9294 15389 7803 6897 12320 5490 7856 9506 11473 7432 3355 1769 7949 Acylcarnitine (20:5) [M]+ 23334 23896 21372 20144 12614 16934 15624 11310 21570 20387 10695 11300 14752 17591 18429 23281 19502 19614 10952 23377 20456 28456 31027 8111 17335 18819 9878 12370 12964 30764 27365 23962 16498 13301 16609 21938 6304 12512 21446 8945 20222 12613 36515 20416 22319 27965 26998 19330 31030 20475 15552 21456 9574 14330 20699 19196 17776 24284 9238 16317 Acylcarnitine (22:6) [M]+ 24649 34602 28187 35595 8654 20678 22396 17678 34854 29503 26561 13506 23051 27264 26015 38510 30657 29418 13201 21046 24026 36988 39788 10255 23642 21297 15392 11581 15323 36814 33242 30454 21729 13131 16962 30145 6980 16696 35350 10782 28594 11613 41039 24260 39226 29852 39307 28913 41030 31109 23280 33679 13150 17733 29114 24597 24694 21242 8426 21532 CE (20:5) [M+Na]+ 7389 1416 1650 1908 5370 6252 2321 3406 3251 2822 2943 2317 1589 4022 4472 2628 2043 1135 3845 3715 7785 1142 7193 2804 3561 3207 9190 1618 2443 3879 1038 980 1554 3331 3320 1873 3730 4228 3494 4867 3281 3274 1383 1749 2490 3139 2635 1205 3040 2988 1412 1175 1163 1926 775 1063 1840 3376 3846 4294 CE (22:6) [M+NH4]+ 74665 19366 22650 30239 31413 74391 29723 38202 50162 39869 26414 15504 26023 58610 51377 33581 29351 29350 49747 41848 75891 18881 36946 21682 34599 21868 55787 9651 35671 40557 30676 21378 28448 18987 28036 18225 36230 54171 28193 31488 38182 44958 25703 20514 27840 23470 45472 11669 39756 34913 20818 21279 14182 27947 22978 19735 29272 25411 21148 47215 Cholesterol [M-H2O+H]+ 122198 110197 98165 108972 121435 108149 114584 108430 110432 123689 115419 115605 104943 117467 114926 113758 112752 113408 112592 117269 112898 109723 113104 112385 116288 124872 121146 108930 122768 116318 111723 114948 108900 124396 120682 116745 117622 108286 120765 117426 123249 115531 103344 114182 116875 104322 105861 124566 111318 118581 113059 115429 110167 121347 118843 109087 118576 109916 114559 122836 DG (38:5) [M+Na]+ 7693 6914 10611 12442 8155 7714 7045 9222 9926 12143 11979 6114 11438 14803 13288 13305 9810 10192 9302 10885 8747 8386 8659 6210 10260 11539 6761 9704 9704 7532 11506 10442 9864 5492 10455 10508 5116 8091 8196 5070 8110 11438 8709 9773 12179 9445 12398 11229 14050 10273 9936 13209 7207 12682 11474 11146 13021 8092 5178 10577 DG (38:6) [M+Na]+ 75404 65290 105254 129327 79775 65325 61472 94547 81219 102873 109875 56567 105502 118746 127290 126625 81522 95663 97907 115718 78857 72956 74751 58172 99288 109180 66670 98939 80180 86996 106812 106525 87627 40670 92483 116446 36441 77196 71223 41287 57676 84235 63496 72507 87387 82508 119464 86278 112014 81123 74440 106447 49727 123538 92156 94101 122699 67907 54382 67739 Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0) [M+Na]+ 1723 1490 1727 1833 1193 1573 1074 1375 1436 1414 1093 1043 1380 1579 1786 1530 1384 1523 2637 1461 1077 1579 1403 758 1225 1463 1072 1462 1283 1456 1552 1385 1185 1117 1689 1500 793 1248 1449 979 1158 1252 1650 1316 1403 1262 1591 1285 2220 1115 981 1624 912 1202 1348 1434 1310 1010 890 1354 LPC (16:0) [M+H]+ 14877 13445 25517 22463 16070 11683 11766 12679 17559 14656 15340 10879 11754 14710 13922 11746 10787 11046 10556 18578 7792 10668 16866 9174 13841 14054 9608 13568 23711 83823 22068 13945 13155 9307 16084 19285 7284 11545 13530 10080 11262 12500 41439 10920 14646 18633 15437 10400 20197 7771 12964 13279 8561 20413 12827 12803 15911 7950 8702 16590 LPC (16:1) [M+H]+ 1136 991 1680 2793 2712 1008 1075 1042 1730 1731 3139 670 1630 2122 2331 1388 828 951 1218 578 1345 709 859 1808 1307 966 870 1921 1204 938 2446 555 2606 2106 1315 1965 781 1000 1237 1304 1470 1935 1960 1397 1716 1290 2442 1249 3222 1424 2860 1805 535 1923 779 1080 2235 413 716 3471 LPC (18:0) [M+H]+ 2082 2369 4095 3322 2775 2387 1994 2041 2331 2093 2299 1493 1889 2174 2236 1469 1814 2234 1650 2521 1272 1846 2487 1594 1825 2164 1757 2198 2863 5126 3414 2110 1709 1684 2388 2396 920 1558 1782 1130 1851 1989 3842 1886 2209 2687 2219 1675 3408 1185 1698 1896 1221 3272 1924 2251 2432 1269 1214 2709 LPC (18:1) [M+H]+ 4687 4449 5698 9821 7352 3685 3625 4476 5980 5598 6995 3493 4417 5006 5337 4098 2618 3206 3841 3538 4152 3053 4015 3935 4428 5217 5171 3933 3268 6684 6982 3435 6174 4044 6541 8129 2794 4176 4018 3958 3908 5337 6086 3842 6243 5651 4193 3505 5485 3592 5614 4930 2670 7222 3361 3879 5590 2598 3251 8187 LPC (20:1) [M+H]+ 1419 1921 2225 1722 1576 1119 1202 1041 2292 1585 1351 1115 745 1259 1495 1151 936 1038 875 1737 1011 1115 1781 1040 1275 1329 1110 1094 1797 5375 1346 1096 1229 1176 1261 1706 705 1072 1280 1010 1264 1075 4603 1022 1834 1845 1504 1075 1781 753 1331 1546 714 1343 1319 1581 1487 746 746 1515 LPC (20:4) [M+H]+ 993 1450 2517 3464 2536 1270 1510 1400 2387 3448 3751 851 2591 3195 2420 1813 673 1016 2454 759 1810 977 739 2696 1786 2113 2411 2184 1187 2281 3181 1032 2555 3180 2919 3925 1321 2278 1623 2228 1933 3298 2343 2118 3743 2339 3269 1761 3301 2232 3563 3347 542 2617 1315 1329 2428 512 540 4487 LPC (20:5) [M+H]+ 5717 9258 16547 53597 45108 11006 23273 18522 29137 43680 62103 11230 33461 44582 31309 22688 11663 10963 26324 4345 24007 9605 5887 35342 27683 30478 30705 27917 12190 22430 44397 9735 47018 45322 40430 75162 15815 24739 25146 25166 23314 38177 31532 23031 54273 20430 40378 20628 50010 24960 54725 32417 3285 46072 10250 20065 44496 3318 6607 81461 LPC (22:5) [M+H]+ 491 950 1467 3433 1776 1040 1122 1242 1952 3234 3493 661 2810 2712 3001 1732 945 986 1445 641 1842 777 457 1498 1963 1385 1438 1770 1190 1226 2181 756 2602 1870 1990 2152 873 996 1310 1164 1080 2112 3021 1595 2501 1364 2303 1250 2143 1456 2237 2493 304 1994 609 1414 1679 297 543 3208 LPC (22:6) [M+H]+ 12414 39192 59374 133254 56602 27886 47453 46097 83794 111083 145573 20954 100426 101914 136992 60361 20451 33283 42639 24925 50883 23366 29134 67093 71441 46645 49124 74273 41516 78858 104680 30669 109894 91403 77095 112469 21121 49884 50763 42779 48749 76454 155711 60695 104216 50267 123273 55797 131129 59748 111756 91657 10653 98736 20567 45502 91367 8978 12672 143098 LPC (o-16:0) [M+H]+ 3540 4907 11239 9257 5979 3381 3957 3353 8787 10740 6703 3208 5694 6029 11142 4113 2861 3420 4039 8496 4970 3162 7682 4534 4277 4695 3967 8176 20416 16828 7514 4845 4928 4781 5959 6857 2446 4715 4411 4043 4079 7016 45711 3570 6473 6114 9126 4899 9382 5163 4733 5868 1864 5065 2943 3407 5511 2611 1605 5712 LPC (p-16:0) or LPC (o-16:1) [M+H]+ 832 1163 1965 1834 1362 1067 865 948 1503 1775 1771 1071 938 1361 1670 642 704 1049 928 1188 1027 601 1404 1359 988 1101 992 1227 1448 3290 1183 1245 1371 1255 1540 1877 808 1153 1328 878 969 1646 3089 1185 1491 1739 1666 1291 1249 1011 1277 1321 919 1111 749 1245 1538 627 1134 1947 PC (28:0) [M+H]+ 4070 5252 5584 4846 3377 3470 2855 3509 4469 4317 3708 3320 4797 4116 5820 5010 4375 4393 3393 4782 3426 4000 4571 2364 4057 4181 3020 4524 4192 5149 4239 4893 3824 3176 4280 7046 2414 4397 4766 3492 3789 3190 4953 3658 4019 5222 6974 3717 8842 3501 3466 5646 3653 4972 4976 6396 5901 3447 3203 3963 PC (30:0) [M+H]+ 60551 56098 71668 68411 56492 49481 48179 47848 54981 70615 52048 44454 56026 60397 77827 68870 65169 57388 57739 66436 46907 57046 63880 36147 61334 63862 44738 65725 61336 70139 64709 65391 55773 52489 65102 91905 40886 63553 75420 49422 64431 55431 80289 56764 62712 76026 90707 68408 105998 59077 59255 87049 45617 75804 73233 87965 85032 55149 49630 69574 PC (30:1) [M+H]+ 5987 5326 6829 6314 4045 4869 3471 5002 5788 4351 4488 3184 5967 6788 9537 8505 6303 7491 5044 6928 4976 5914 6184 3045 4583 3407 2247 4802 6514 5786 5592 6554 5191 3134 3767 5305 2599 5597 6838 3669 6743 3214 8164 4900 4854 6391 10861 5896 12876 5432 4056 8883 3975 5075 8283 7126 7556 3546 3556 5064 PC (31:0) [M+H]+ 4973 4488 6628 5710 3909 4753 3926 4137 4687 5024 2227 3279 4481 5407 6462 5091 4628 5003 3519 4939 3013 4710 4905 1466 4418 4432 3146 4245 4005 4845 5092 5685 3787 3181 4944 6311 1987 4080 5142 1640 4098 3977 6777 4072 5590 6573 8903 5170 10193 4762 4767 6739 2110 6054 6838 6098 6324 4444 3315 6282 PC (32:0) [M+H]+ 86750 77127 112929 104851 79847 83547 74508 82179 77361 88885 85694 69436 83005 100908 113536 89931 85596 96586 69106 88402 62190 82265 85348 43116 89727 89319 61566 82075 68911 83702 92393 101690 71821 58849 96029 119120 48152 79865 96527 54929 73929 66965 98100 66632 86270 111435 128463 85627 162030 74960 71123 114105 53061 116432 104764 107215 123910 71514 62810 103274 PC (32:1) [M+H]+ 734243 628420 771268 670700 572671 678262 492631 595913 624020 632444 575857 490851 614916 795798 875941 820748 678198 695854 567936 726436 566160 643217 651385 349059 662066 525908 378157 533233 550295 577348 720411 631200 602258 434816 591159 702192 343508 658259 803470 501549 700185 515138 739402 589055 603492 781807 1035506 633248 1121935 548516 507832 872516 463997 746100 919776 757227 923586 526833 496838 700727 PC (32:2) [M+H]+ 3961 5068 4846 3759 3143 3666 2364 3514 4200 3429 2839 2744 3489 4564 5943 5653 3936 5048 3511 4543 3222 3916 3958 2131 2976 3106 2468 3469 3716 3477 3672 4341 4021 2376 3302 3860 2013 3719 4319 3133 3842 2487 5101 3482 3591 4075 6327 4006 6056 3470 3118 5834 2567 3935 5890 3950 4807 3202 3167 3551 PC (33:0) [M+H]+ 1248 2031 2832 3293 1924 2351 1136 2090 2131 1849 1631 1164 1977 2060 3442 2432 1847 1688 1584 1762 960 2755 1948 954 1488 2262 2175 2507 1913 2211 1797 3936 2048 1392 2457 3904 989 1622 2272 1192 1011 1838 2251 1621 2526 2073 2499 2449 3802 2647 2176 2656 1585 2176 1984 2396 1891 1410 1507 1638 PC (33:1) [M+H]+ 144980 139897 188837 155064 101800 156862 98621 125960 131379 122433 111034 78380 135157 164343 167365 153146 129400 141454 103212 152733 95455 137192 133612 54667 126399 118915 83178 103480 96129 119878 137603 138619 108749 65243 138352 155181 54392 121594 137252 76619 101824 104156 142190 115267 144276 158012 205600 113027 236170 99958 100316 156520 69083 148853 187715 142822 171822 103579 83487 141249 PC (33:2) [M+H]+ 6510 8057 7068 6950 4798 4872 3534 5696 6794 5821 4518 3916 5517 7165 8590 8293 6656 6627 4654 7733 4547 6501 6430 1738 4121 6455 4962 5779 5052 6406 5648 6718 5743 2404 6675 7456 2169 5823 6225 3564 4613 4497 7487 5895 5313 6718 8407 5753 9596 4347 4490 8461 2333 6132 8867 6116 6618 4504 3475 5907 PC (34:0) [M+H]+ 6907 6906 9057 8739 7074 6758 5755 7129 5687 7637 7415 5573 6958 7995 8612 7556 6807 8159 5820 7812 5130 6950 6952 3772 6996 7346 5526 7296 5825 6922 7516 8067 5976 5542 7388 10100 4577 6649 7228 4907 5895 5470 7867 5705 7123 8201 9966 6980 11722 6796 6045 8836 4784 9690 7951 8513 9511 5778 5555 7994 PC (34:1) [M+H]+ 3201352 2993959 3489120 3452018 2920265 3028114 2400221 3042245 2686340 2688729 2746875 2247154 2971932 3283533 3521248 3173953 2754704 3128636 2606431 3365709 2253443 2858834 2817667 1703526 3018250 3226345 2453234 2823788 2447578 2879055 2946052 3393126 2714097 2177619 3574253 3746140 1627796 2817167 3116906 2221316 2614344 2456570 2750092 2462492 2979310 3086154 3488102 2691982 4003574 2258452 2327586 3286520 2049194 3393678 3282458 3024339 3658774 2357209 2342186 3085096 PC (34:2) [M+H]+ 210644 301944 299898 269598 146707 193115 121347 215746 214998 165665 145060 122498 193885 219146 289446 251376 193388 261897 165201 288434 120497 206508 179558 72285 142530 267134 187186 236804 153879 232844 167539 267118 205205 84379 282166 316046 59607 200789 189187 102213 129171 124293 196011 155339 218969 195275 241946 170905 280142 111234 130114 248083 95216 215628 236962 183885 219979 128948 107084 164114 PC (34:3) [M+H]+ 62602 121286 117473 151705 49495 53185 30998 125593 135129 36137 25067 32659 73681 63227 145166 126195 75338 105919 78164 200104 26275 74463 67536 24153 14558 268703 228089 188169 103357 184433 52897 247686 144424 43922 239515 290556 17393 98243 52332 27519 13296 25125 52398 35249 95373 43293 49032 79451 79610 29992 38825 86491 12827 94630 69624 46782 30773 52255 34127 67635 PC (34:4) [M+H]+ 4014 4795 5655 5269 2469 3264 2969 4445 5250 3379 2715 1946 4040 4999 7269 5584 4353 6022 3939 7306 3112 3951 5921 1647 2805 5051 4709 5909 7632 7558 4258 8668 4152 2616 5017 5210 1437 4307 3658 1977 3218 2820 7197 4198 4136 4821 7051 5056 9563 4290 3297 6833 1761 3976 5788 4082 3984 3276 2247 4254 PC (35:1) [M+H]+ 49367 49564 62442 59759 44968 48743 37619 49068 43084 41199 42491 30578 46153 54648 57494 51975 42373 49000 36602 51549 33250 44858 45810 25759 46881 53072 38746 45317 35488 45849 45233 54688 43416 31766 63222 61973 24937 35786 45656 31014 36311 40618 51802 41100 56411 51734 65114 46272 74117 41972 38499 57021 31450 53651 55014 53727 59742 42213 33927 55270 PC (35:2) [M+H]+ 21097 33115 40950 34209 21590 21194 19027 27336 24198 17905 23511 16809 18038 30492 33360 29800 19094 22195 15992 31122 17827 29564 17359 10366 21646 27379 19253 23367 19553 18644 24751 19968 22924 13639 33488 30875 8751 24105 20085 13986 18946 14525 29169 20446 31097 31676 35498 22749 33909 13835 18954 32544 13020 27026 32770 27901 29994 17903 12495 26109 PC (35:3) [M+H]+ 11794 15331 16638 18764 10392 11240 8221 13901 14474 11308 8915 7347 11537 12170 19270 14613 11612 14316 10266 20230 8694 11544 12829 5516 7523 21546 22005 21156 15412 19696 10217 22109 15856 8879 21304 23801 5797 10741 9761 7124 6746 7867 15021 8150 15190 9852 12173 12742 17602 8198 8633 13285 5338 13263 12594 10536 10640 10372 7372 11012 PC (36:1) [M+H]+ 202910 181706 220353 199645 187744 179735 143197 176109 141775 188641 184815 130649 164336 199162 203751 190898 177739 193223 151048 181130 142936 173811 170938 97605 194728 170319 110091 151820 134766 146627 171746 188356 142381 138103 178454 203557 106768 150805 188790 132088 162720 158922 181078 149652 180572 214314 242753 168151 297430 168314 138384 204032 135596 204375 194815 204877 255905 146010 137653 194497 PC (36:2) [M+H]+ 221080 253370 271770 274100 231662 226453 158103 250006 190546 183195 188324 161192 209619 238909 276936 239496 194950 228784 187556 258162 165702 211146 209291 91587 186032 237378 175000 214431 158993 212177 170417 231746 184723 113832 276168 290248 97613 181076 205420 141609 151243 156799 210484 176358 239186 217160 254541 185354 260555 152464 146096 247061 143755 225411 224177 219456 243140 166133 153002 185022 PC (36:2); PC(18:1/18:1); [M+H]+ 232004 252864 269882 274492 232297 223438 157176 249446 187587 184186 192988 161285 210307 235823 280633 239391 194823 225825 188675 257193 162101 212107 207822 94447 189588 253877 177710 213394 167491 212433 174403 236899 186906 131641 281291 292509 96935 182229 206453 144943 161705 159309 211440 173954 237190 216697 249565 197300 276707 157706 151077 245904 148253 234016 220653 220780 259243 169736 153579 204447 PC (36:3) B [M+H]+ 49596 62179 66317 76629 39383 40406 32500 57390 48274 39478 33528 27397 44443 52379 67267 53303 48014 55498 36101 59487 29538 51165 47783 14304 25376 72357 52638 58699 38865 52232 29301 55531 41282 23775 66267 83047 17668 41826 34992 20950 18716 23535 48396 32190 60882 38532 51409 43571 60215 28805 31600 53196 17305 50287 47193 48800 39242 33842 19694 42952 PC (36:4) A [M+H]+ 260982 268245 336295 276813 187952 265140 196235 256900 216058 188255 188584 157579 245119 254412 251582 236772 244249 300294 217100 312738 157253 247922 265355 101396 254485 225720 153281 226057 242965 293360 264900 347280 211031 144054 239341 326537 100863 270980 277357 160363 217286 190508 280994 230270 214769 285802 310592 220110 412491 188693 170418 287753 137084 237921 290033 259828 304800 153039 169318 247334 PC (36:4) B [M+H]+ 227903 204833 282134 192983 128082 205344 144155 187576 188897 177451 131902 120834 185255 236444 209277 182945 202174 202892 161837 218148 128744 204334 196101 69137 182247 163428 104990 148514 212055 213662 189689 262495 157956 102218 205217 194118 77932 180296 200808 101770 156013 166630 217476 189221 194558 235404 230929 186448 359059 152249 137310 248613 106581 200649 240041 192863 220019 153491 120823 237096 PC (36:4) C [M+H]+ 445085 406632 401359 426549 418448 391731 375459 407563 391055 425937 404798 362399 401550 447805 463359 428070 400226 423026 384752 460353 364078 396030 411628 329787 423807 458702 401604 395081 412062 429270 414980 449846 394366 386610 462405 448698 315475 393221 443339 372347 423850 387360 397574 382542 423888 400690 425856 425068 470741 381565 382559 450709 351681 470615 453615 401005 474349 366992 379573 447883 PC (36:5) A [M+H]+ 3604 4103 5209 4497 1511 2722 2391 4256 4726 2975 2405 1640 5585 4546 8992 4631 3327 6220 3195 7491 2737 4092 7036 1197 3334 2685 2142 5326 10377 8304 3511 6748 3912 2371 3819 3534 1199 3584 3144 1766 3566 2006 10745 3697 2919 3906 8270 4402 10289 4827 3586 6082 1824 3285 5058 4009 4175 2153 1881 3451 PC (36:5) B [M+H]+ 2087468 2014749 2446767 2124876 1471422 1950622 1506755 1961963 1714075 1489981 1414730 1251344 1874618 1952037 2079661 1994916 1872793 2256024 1740578 2452101 1204217 1914289 2028206 832229 1820979 1943340 1345929 1794910 1999979 2231906 1965283 2689147 1708964 1165374 2024073 2440987 770203 2029731 2061951 1283458 1706300 1442874 2099519 1702213 1675110 2104531 2254769 1749326 2950044 1449495 1382238 2183422 1026518 2028623 2193243 1931193 2243989 1230782 1316774 1923747 PC (36:6) [M+H]+ 31275 38866 48785 37092 16173 26181 21299 39587 37151 27236 21090 15913 52123 41167 80488 42026 33199 60118 25003 66495 23037 34728 61224 11118 27293 20453 13949 41839 88238 67988 33413 66074 30105 17658 24893 30639 8932 31363 29117 15262 31872 18163 94590 30556 26534 36513 68231 38321 98100 41512 30545 56605 16820 30436 42894 35487 37714 18352 15493 28029 PC (37:2) [M+H]+ 1663 7090 6257 6646 6750 6559 5012 6624 5941 1667 4878 1190 6505 5992 7677 6554 1536 5443 4771 1435 4172 1332 5843 3362 5504 7370 1869 5579 4566 5194 5700 1692 962 1622 1276 710 5146 1388 1109 4415 5762 4317 7464 6620 7390 1525 2103 1033 4628 1250 5014 1940 1457 6951 1719 1526 4734 1872 PC (37:4) [M+H]+ 11023 9020 12354 11253 9138 10303 7606 7692 7985 9498 8099 6819 8469 12550 12181 6524 9141 9462 4727 8908 8152 9653 9870 1736 8252 5878 5473 6656 4165 4281 7749 8865 4994 2987 9397 9634 4457 5812 8227 5267 6654 7825 9056 6109 9524 11248 12562 7631 13775 8660 7203 9666 4827 10399 10887 10112 11393 8517 5432 10188 PC (37:6) [M+H]+ 35271 35958 47674 35884 18423 35267 23651 33760 34062 28359 22773 16285 38133 37859 49586 37255 31606 40955 22585 40440 19737 34349 45574 12190 31459 24458 14486 27409 38050 41269 36777 46929 29817 14725 28347 33398 10590 30091 31109 16636 28304 22390 53710 29732 28617 40708 52221 29685 67745 27909 24638 41569 15392 32786 45951 34669 38710 22584 17647 32495 PC (38:2) [M+H]+ 20588 23462 22620 21597 21098 19543 15536 20658 17541 19805 18732 14362 17786 20317 23765 21937 18984 20393 16817 20905 16234 19475 18222 10292 19886 19322 12922 16338 14986 17344 16801 19613 15586 14516 20427 21595 10723 16181 19690 14465 16866 16286 20218 17018 21675 20972 24883 19954 28614 16972 15817 23082 16668 21983 21817 21538 26807 15325 15423 19345 PC (38:3) [M+H]+ 6031 7933 9800 9579 8129 8811 4558 8489 6827 5789 6181 5099 6688 7225 8596 8021 6215 7263 5270 7024 6239 8370 5964 3410 5729 6245 6688 7204 5074 6364 4862 5513 4834 3614 8022 8408 4167 4940 6350 4503 3747 5087 5761 5144 7903 6104 8062 5079 7370 4681 4621 6385 4348 5001 6080 6412 6417 5937 4131 5516 PC (38:4) A [M+H]+ 36218 33665 43613 35217 27696 33830 24943 32701 27646 32828 26855 21988 29924 36165 30911 30782 33560 34548 33865 35141 21352 35057 30348 13090 29492 32799 22341 28825 32209 32557 27896 40450 23978 18970 36390 34528 14397 29124 31258 18085 24562 29416 33161 31522 34034 38011 34294 31290 52519 26714 24898 38705 20223 35388 35084 33250 35867 25076 22657 38357 PC (38:4) B [M+H]+ 19344 19183 28149 23372 18441 19099 13576 17914 13326 18751 19267 11718 17117 20463 19411 19350 17866 19106 14979 16435 13610 17546 16403 7251 19752 13911 8509 15364 10563 11859 17658 18498 12881 9924 15665 21952 8393 14635 17282 11113 13091 15790 20082 14259 18561 26966 31052 14356 38472 15742 12336 20205 11820 19386 18598 24106 28291 13707 12245 17711 PC (38:5) A [M+H]+ 140469 152017 180832 154261 90559 138560 91575 137773 137956 109605 88349 81965 134461 156968 155332 135579 127073 138827 102059 154831 83760 135130 127987 41593 114067 121811 79972 99751 108105 137113 111820 160948 104492 56107 156212 133909 42310 118754 127755 63379 90553 96177 152280 117311 144824 143115 156917 116770 210981 81463 83286 161220 70725 129783 149549 123616 146805 84942 77188 127516 PC (38:5) B [M+H]+ 375971 371073 521101 469699 276642 360929 278602 361435 287884 302551 271420 207350 341409 360617 332462 357512 356245 436886 312963 439336 188352 376814 331807 127149 307822 389018 259963 347310 305040 386029 321836 511555 279486 176235 386671 490464 113718 393408 352907 183795 259486 246213 349348 298188 315862 393513 421710 290183 597198 236830 227609 375969 155590 399631 364199 372765 396851 206564 215253 341736 PC (38:6) A [M+H]+ 4514367 4417274 5035513 4508347 3282007 4240943 3665490 4411475 4281212 4259104 3721825 3166686 4651525 4864804 5151393 4470699 4050073 4736719 3514946 4973823 3426009 4177562 4590169 2444786 4404516 3743176 2857188 4117774 4711411 4772559 4470270 5258699 3991889 2990583 4119681 4253732 2318832 3949316 4144109 2940603 3819139 3500167 5321961 3993113 3878528 4644372 5112503 4165580 6004867 3914193 3435461 4867668 2910399 4399707 4591910 4148246 4647037 3342469 2797390 4227239 PC (38:6) B [M+H]+ 11728 12874 13477 18683 8349 9484 9176 14463 11343 9320 8415 7214 11911 12834 15491 12298 11817 13317 8559 14077 6756 12855 11258 3090 7125 13641 10288 13229 10467 12127 9898 17432 10528 4356 14318 19167 3718 10582 9622 5284 4838 5665 10117 7574 12609 9328 11016 10441 13234 6632 8406 13739 4714 10271 12496 11245 9840 8251 6362 10143 PC (38:6) C [M+H]+ 674373 802781 801466 812529 656158 712894 559014 741954 617834 498971 489889 482305 602548 628045 722867 719625 658859 728992 608760 807237 443800 675716 641298 287502 565809 848484 680499 636001 554973 770106 584928 815117 625471 404401 933537 1010450 271599 737690 750594 511820 564136 512627 646876 539093 694188 706729 731775 592423 807856 409108 452387 712023 440284 693600 723520 688104 730987 499403 584670 629350 PC (38:7) [M+H]+ 54900 76712 89982 73107 29580 65499 40764 70118 75009 43550 42115 34025 72979 69070 91685 82291 62586 76760 38784 67091 43705 70141 76655 22793 49801 39559 30724 39273 57428 64062 65855 71063 62614 24182 49775 54379 18738 62680 63713 35491 56024 33749 81984 43625 57188 76473 106568 58172 112233 48757 46740 102194 44550 61593 93444 69063 78105 35466 32601 49139 PC (39:6) [M+H]+ 47187 62413 78220 66801 26007 50281 35896 53604 57285 42898 33793 25329 59424 59491 62181 53648 41779 56786 32064 59263 27205 51544 49550 16800 41956 55267 42928 48636 47971 61129 51344 74724 48108 21228 70184 58110 13965 43420 22153 12692 30001 31602 70248 44354 52960 55769 70139 46411 95476 35701 34446 63446 22160 48385 55170 46376 48643 30097 20763 45325 PC (40:5) A [M+H]+ 27100 27409 24203 24665 17435 23735 17696 22709 21080 22587 17470 14669 21862 27987 23802 23131 23218 24851 21453 25632 16849 24825 22395 8671 19878 19862 12829 17567 19534 22111 17795 26095 15675 12206 22279 18562 9199 19381 21597 12183 16536 18737 25604 23223 22696 24495 27749 21567 37623 17295 15652 25214 12905 21127 24105 22748 22959 16060 14022 22226 PC (40:5) B [M+H]+ 5996 6625 7330 8149 5301 5734 4522 5539 4828 4857 4321 2506 4612 7078 6420 7430 4654 7348 5077 8162 3753 5939 5491 2642 4161 6867 4503 5698 5172 6517 5389 7627 5246 3747 7387 5637 2491 4731 5954 3913 3889 4132 5784 5436 5445 5269 6429 5090 8831 4447 3752 5885 2348 5801 5318 5248 5583 3632 3729 5095 PC (40:6) A [M+H]+ 162553 174896 184892 165132 119828 150325 114798 139956 135585 121755 99377 79161 121169 144505 162986 153500 162484 161366 123502 170852 96456 156021 142115 51020 130316 131813 86645 116156 104815 140986 110606 166038 103595 73777 137262 158590 50251 149481 148628 78961 108718 103763 153876 129770 134976 156010 193888 117134 255647 96135 91346 152241 72664 136186 166000 158010 153940 89732 90300 133915 PC (40:6) B [M+H]+ 144265 192603 242662 196178 78637 142016 114764 151906 121811 142441 116780 76327 214177 173957 202400 148816 112872 201046 88002 172238 76119 154636 172388 54233 139612 116496 87324 163088 202866 202999 184136 273083 115392 72398 120147 139482 40336 123696 101999 55893 106221 80728 258652 136073 123389 181337 263396 161241 375953 133647 105242 202126 62576 182248 142549 161307 166697 81223 59757 134897 PC (40:7) [M+H]+ 1232821 1390481 1381375 1432561 974133 1265736 960736 1444989 1374444 1074627 901115 854415 1287130 1308239 1597002 1390629 1087339 1226476 979468 1426369 950478 1208821 1276796 574348 1023447 1293992 1122608 1065799 1126501 1384015 1059294 1309528 1152332 728489 1474503 1331606 559520 1093199 1139548 812468 945131 859982 1346273 951425 1315646 1226217 1402458 1132697 1481487 901430 945954 1426550 968617 1296542 1303862 1118703 1396460 894534 808428 1073475 PC (40:8) [M+H]+ 24819 34718 29763 23470 15520 20047 10895 20243 11700 17631 6922 8513 17215 22822 26011 14798 12837 23781 16192 26623 5346 22269 19556 3654 5147 30429 20710 22421 17176 25461 5199 23280 19067 7048 29869 35223 8544 11964 12016 6636 4229 13185 13993 18111 15829 4956 10466 18031 14084 5067 13208 22800 3718 19005 9848 11248 16079 8595 8211 6199 PC (42:6) [M+H]+ 4019 4239 3007 5043 1639 2097 2828 3735 4315 1960 1314 1810 2063 3237 3190 4444 2774 2412 1617 4207 2282 4086 2385 1928 4400 3175 1643 2130 2489 2597 3258 2686 2627 2188 3130 2269 995 2156 2627 1796 2611 1659 1790 4029 4048 4162 2969 4373 6343 2915 2459 5310 2514 3157 4306 2772 5617 1420 1812 2635 PC (o-32:0) [M+H]+ 5061 4422 6173 5715 3888 4706 3845 3809 5588 4994 4308 3543 4104 4727 7227 5565 4986 5341 3525 5190 2777 4944 6827 3036 4253 4844 4067 4294 4503 8178 4993 5375 3427 3563 5014 5289 2014 4212 4254 1896 2476 4042 11188 2722 5417 4728 7520 4341 9015 3818 3502 6751 2567 5366 5509 4906 4722 3487 3334 5397 PC (p-32:0) or PC (o-32:1) [M+H]+ 7255 6072 9027 3729 7162 7909 6135 7870 6077 6006 7434 5731 3339 8372 6757 4302 10778 3896 5535 3177 6797 5587 7126 5205 7347 2768 3644 6606 3931 6482 6525 8055 3346 1982 3475 4418 4499 4058 2726 5583 3106 7195 8344 5918 10135 9374 9340 8459 5022 6235 6797 7414 5311 6831 7619 8206 5035 6440 5822 7798 PC (p-32:1) or PC (o-32:2) [M+H]+ 38542 26980 38690 30986 32068 32133 26197 28951 27895 31850 31444 25394 26647 44535 35896 30159 35548 29903 20023 23644 34064 37678 27662 11945 29724 21566 12798 17595 17353 17771 29079 19697 19509 17004 28640 24684 19952 21882 31322 19775 25119 27558 37917 23483 39566 41183 47185 33284 52725 28420 26698 37171 23299 34861 49446 43013 46648 33197 23041 41042 PC (p-34:0) or PC (o-34:1) [M+H]+ 37770 34571 42949 44232 38943 38701 26752 30676 29560 36528 38704 29269 35926 37426 42242 34941 34726 43522 28097 41116 29938 40503 31334 19485 31895 38897 29825 31965 28687 34847 38165 33173 24397 27884 41361 45904 27282 30198 38877 28094 27475 37788 46392 23659 43790 37316 41890 30021 51911 29978 23930 36454 23946 41202 36442 37798 42550 28431 23819 30289 PC (p-34:1) or PC (o-34:2) A [M+H]+ 39617 22426 33313 29154 36736 37432 26964 29025 23169 36100 29408 30038 26544 39214 33785 28554 33388 25059 21999 28686 33987 31258 25651 13953 29988 29516 20652 14819 17955 23325 32398 25986 17786 23573 34452 34041 20983 20315 39580 21077 27270 31375 34375 22407 43040 40362 40736 35537 55561 31484 26936 33795 29792 45492 45976 39528 55357 32484 26978 50060 PC (p-34:1) or PC (o-34:2) B [M+H]+ 12696 9962 14546 13009 12581 11507 8930 11277 8705 10631 12358 9481 10223 12790 13431 11223 10717 12137 8309 10764 9010 9784 10987 6103 11486 11746 7888 10529 8273 9667 11506 9993 8700 7961 12120 12460 6745 9375 10694 7966 8837 11842 13829 9569 14055 12650 15407 11219 17343 9632 10246 14149 8511 15032 13452 14409 14025 11182 9056 13805 PC (p-34:2) or PC (o-34:3) [M+H]+ 5044 3424 6021 5818 3278 5394 2008 3018 2238 2546 2754 3730 2910 4867 2900 2793 3355 4563 2068 6138 2166 3980 2032 1436 1935 3451 2452 2999 1989 4794 2827 5987 2698 3719 3956 4099 2050 3276 3505 3974 1606 2086 5164 1866 5586 2588 2483 2855 3388 3401 2138 4953 1236 4558 3347 2590 2903 2328 1840 2167 PC (p-36:2) or PC (o-36:3) [M+H]+ 3204 3333 3779 3581 2800 3129 2757 2999 1211 4078 2800 2582 1587 3546 3813 3389 3069 3489 2823 3435 2669 3162 3210 1896 3180 1984 2595 3101 2542 3094 3049 1180 2785 2443 3656 1328 2007 2639 3420 2269 3004 1912 2373 2566 3527 1139 3571 3139 1833 3049 3015 3766 2355 3441 1641 1411 3798 3146 1560 3576 PC (p-36:3) or PC (o-36:4) [M+H]+ 91472 91111 128644 90940 63949 83380 59839 78028 74353 82449 66235 55222 83963 91100 96504 81584 83590 101133 69682 93702 60850 90750 70343 27980 65032 70557 45659 70991 72390 82959 82495 93777 61926 46741 88428 85886 39170 74948 84664 43065 55400 74783 99862 66975 93557 93901 92753 68375 139176 68385 55458 98354 41280 75215 92010 83202 89517 59863 41928 66939 PC (p-36:4) or PC (o-36:5) [M+H]+ 23549 36090 22861 16108 17820 16294 19774 17564 22294 16049 11151 22909 24352 21637 18311 26393 16853 26855 16436 19704 21106 11167 17075 14679 20339 16899 22510 20566 22124 14829 20793 9661 21454 19111 12881 12972 17154 23816 18151 20660 22464 25100 17329 35851 18126 16043 20577 19332 22418 24500 13774 11897 PC (p-38:3) or PC (o-38:4) [M+H]+ 5670 5388 6191 5522 5612 5614 4402 5719 5639 4222 4539 3681 4887 7285 5880 2437 5927 5777 5489 6482 4693 5952 1634 1138 3972 5597 4274 4545 4564 5669 4634 6071 4391 3621 8251 5238 3457 4147 5252 1662 1194 5340 1445 5188 6256 5216 5155 4172 6595 1275 3778 5923 1420 6262 4506 4495 1880 4597 3711 6369 PC (p-38:4) or PC (o-38:5) A [M+H]+ 199631 130751 122361 140539 141260 134386 104818 135421 97092 115022 118488 90814 108664 147373 181092 160986 129354 149841 123979 215282 99566 128618 119267 58845 98576 181636 104748 114882 116142 136150 113021 161941 118823 127477 202345 182524 72636 118231 151774 109481 113681 95447 95363 99368 144334 118906 140027 133908 208403 110030 82551 137659 74072 185647 135486 118101 191075 124156 86474 167515 PC (p-38:5) or PC (o-38:6) [M+H]+ 202896 308097 375934 242401 120020 211950 136647 164074 209647 222246 135337 100042 209063 241692 320509 193107 153811 232875 148579 287851 176570 178603 267156 66488 187368 134716 110084 168131 205427 274715 261526 244486 148041 85757 180190 156550 81716 196628 172754 93921 127129 171869 502502 210092 241542 225342 339274 154199 358891 182107 136028 266016 84736 164731 178404 176361 174445 123167 74469 137776 PC (p-40:4) or PC (o-40:5) [M+H]+ 2610 2299 4338 3607 1646 3255 2457 3236 3251 2563 2279 1487 2157 3786 3002 2667 2721 2527 3505 2312 2636 2726 1294 2603 2700 1682 2675 2421 2806 2611 2655 2687 848 3653 3347 1977 2593 2136 2448 1811 2067 3445 2597 3556 1548 1389 2473 1971 2665 2032 3108 1577 1757 1697 2801 1084 2709 997 2861 PC (p-40:5) or PC (o-40:6) [M+H]+ 95450 92951 100950 97317 81016 89379 60182 84714 75844 74624 69600 53130 69247 95470 105206 98012 76074 85948 72146 102505 76803 78629 70834 39539 77781 81765 61623 70206 58103 75825 83871 85768 71859 61415 101436 93941 49780 68893 80063 62500 60136 69174 79546 64928 91762 88235 106036 74884 119578 74470 58240 96247 51565 90631 80904 85668 101437 78196 55766 87407 PC (p-40:6) or PC (o-40:7) B [M+H]+ 25431 25704 27338 22847 16812 20312 18392 19922 22709 19739 17003 13791 19193 24967 24616 22390 22647 23371 17816 23646 16346 25976 24050 11375 22534 17348 12933 16041 19812 17935 18124 24039 16375 14884 18290 19873 12107 18441 22212 13703 19389 14548 25003 18399 18883 25871 25862 19985 34536 18988 16142 24027 14776 18763 26192 20498 25101 14581 14533 21942 PE (36:1) [M+H]+ 4745 4714 4579 4790 4258 3812 4030 3926 3983 4888 4371 2615 3923 5178 5274 4567 4514 4157 3432 4295 3549 4264 4580 3098 4698 4370 3243 2669 3646 3570 4282 4781 3975 3509 4280 4248 2702 3842 4519 3214 4463 3640 4326 3593 3815 5008 6200 4124 6986 3764 3771 4991 2667 5103 5170 5373 5774 3628 2868 4775 PE (38:4) [M+H]+ 12463 10339 15374 12695 10720 12021 9182 10983 9971 12355 10339 7602 10524 15024 13618 11417 13905 12202 9335 10766 9141 10991 11205 5266 10729 10716 6154 8863 12372 10851 11694 10885 10158 8368 14700 11350 6542 9556 11386 6053 9471 11551 13188 10826 15661 13205 13157 12148 20234 10093 10172 15367 8385 12838 13262 14540 14723 9847 8294 17293 PE (38:6) [M+H]+ 464603 424118 560402 510671 383013 421447 366594 445458 429879 456202 337287 330573 445505 509696 558506 455886 457101 443161 330646 438869 324571 382644 448437 204491 429833 399527 267169 400827 383850 404974 452469 503205 418652 258397 471593 481939 205157 454041 451579 261915 354870 311949 499070 362246 427279 525942 604257 373400 720691 331606 334226 525910 238716 485609 486036 488264 542637 344059 289196 457819 PE (p-36:4) or PE (o-36:5) [M+H]+ 4517 3657 5025 3788 3327 4618 3521 3416 4424 4439 3407 3780 3434 6015 4556 3734 4816 4309 3455 4026 3395 3906 3881 1974 4162 3633 2651 3100 3686 4750 3856 4042 3377 2476 4955 3890 2946 3288 4743 3000 3374 4939 6034 4397 5555 4992 5307 5152 7779 3840 3623 5795 3312 5261 5822 4387 5463 4764 3488 5226 PE (p-38:5) or PE (o-38:6) [M+H]+ 136969 99719 113971 103310 94891 112117 79877 94821 96224 88513 89491 85729 100741 111154 118228 130135 99501 95014 101594 143285 94364 95077 91352 49034 101789 124448 89030 90460 76618 96549 102199 125567 84388 75340 134510 169383 49174 91227 128414 75392 84037 73054 95006 76361 99185 102790 103614 88989 150866 71366 60218 114117 64301 137518 116014 87744 130285 86384 72002 100856 SM (d32:0) [M+H]+ 4761 4113 5046 4265 3808 5335 3749 5107 5332 3954 2471 2711 5399 5088 6148 5010 4251 4578 4576 5589 3522 3095 4333 2132 3984 4584 3296 4374 4215 6195 3816 6123 3874 2907 5700 5194 2813 4094 4833 3117 3109 4023 3802 2875 4458 3944 6018 4065 7676 4546 2765 5657 1793 4724 4304 4477 4601 3698 2820 4355 SM (d32:1) [M+H]+ 139605 144733 173329 142828 105611 148496 105284 125003 139486 115915 111582 84611 135658 146538 164064 128772 129429 127217 124870 145608 86895 138638 147328 52563 120288 132483 104043 113749 105000 136198 122991 149923 117306 79150 182169 179398 64634 124276 139806 88900 94964 109662 133180 93587 133206 133406 184701 103242 208625 77826 78555 146224 59673 144668 154701 140793 145534 95252 79895 135553 SM (d33:1) [M+H]+ 9937 9549 11672 10038 8039 9926 7371 8569 9684 8710 8044 5813 8875 10568 10905 10363 8360 8562 8723 9535 6534 9132 8391 5143 8840 10241 7094 8014 7397 8797 8482 9255 8081 5869 14021 10731 6105 7698 9450 6965 7212 8253 10090 8182 12930 9692 12830 9004 14540 7863 7746 11794 5735 10305 11470 10688 11374 8278 6400 11142 SM (d34:0) [M+H]+ 12110 8924 10264 29387 7600 13388 7680 9599 12855 24868 25120 5771 10387 12881 13178 13386 8489 8670 8696 13954 10137 8212 8562 16951 8293 9430 7083 7781 6932 13186 8824 12639 8212 5102 11994 11421 5464 8947 10258 7879 6572 7077 26103 26014 9656 9999 13454 8320 14347 6960 20968 11906 19097 10059 8937 29383 10548 10110 5555 9366 SM (d34:1) [M+H]+ 455192 405619 488019 462867 478229 413426 350385 387192 366451 397696 371078 318618 340536 449824 482929 455910 372296 379264 403256 443790 364776 400367 378606 208578 382178 465005 325562 390208 317896 401688 388750 406297 377386 272487 540851 522400 282215 359388 418871 338099 322501 386087 382901 340113 482376 392592 450748 348804 472444 302150 301570 427081 245773 431797 398017 439759 479136 370150 305268 403600 SM (d34:2) [M+H]+ 1888 1677 2358 1991 1136 2039 1680 1784 1899 1354 1452 1021 1383 1959 1742 1831 1662 1423 1565 1571 1494 2104 2345 854 2105 2077 1134 1325 1500 1605 1801 1904 1687 909 2287 2186 1150 2183 2705 1601 1333 1470 2627 1829 1831 1920 2696 1569 2776 1273 1421 2030 1079 1525 1421 1827 1976 1223 1249 1491 SM (d36:0) [M+H]+ 12390 14571 17389 14534 14176 15595 10240 13566 15103 10301 16287 9347 12200 15405 11492 13760 11868 13311 10724 11069 13005 15142 10650 6689 14167 10904 10876 13616 8969 11744 13771 12993 11396 7246 13253 14557 8404 11052 12872 10265 8945 13222 13662 10240 14780 15280 15678 9959 13258 9271 11118 12174 9163 11361 11060 14745 12551 11097 10571 9948 SM (d36:1) [M+H]+ 381810 333931 388126 365194 338870 319313 250788 312048 274732 294235 299153 241129 271573 354908 405747 369032 308412 324419 281372 353479 276346 326851 284089 139770 305901 331203 243597 293693 228200 287469 306946 340332 278205 221508 387180 435297 180216 277324 339370 237435 254045 262441 287324 240225 349923 328609 408321 278863 478192 233702 228574 356314 182231 375210 339342 348381 408647 267215 232939 319496 SM (d36:2) [M+H]+ 151925 120239 140078 130987 167089 126680 117602 114955 123027 134904 112296 104786 96973 146944 154395 133171 133707 104450 133430 125259 133076 125821 111042 70559 125434 143456 108577 122177 96108 120652 108978 122175 116094 104498 179309 163279 101269 116501 154446 120438 113468 136688 133258 121769 162385 151050 173587 137144 178360 110098 109756 170987 88965 157343 158698 165263 183523 151550 117429 162561 SM (d38:1) [M+H]+ 22909 18857 21199 20658 18372 17547 15514 17751 16063 19423 17226 15703 16879 19206 23246 21440 20049 20078 16248 19840 17536 20060 17423 10961 18721 17935 15150 17693 15643 17212 18161 21150 16591 15949 20595 23527 13007 16413 19841 14014 18228 17930 19023 15711 20371 21077 25983 19047 33347 16979 15051 22405 12966 22128 20593 21168 26087 16346 15240 20192 SM (d38:2) [M+H]+ 33661 30492 36154 28056 27116 25303 25004 26155 24802 29645 24282 20937 23073 32192 35691 28774 29870 27443 25933 28913 25722 29651 30069 12235 25332 25046 18540 23420 22696 28356 24385 30076 22549 18095 29771 32280 14681 23474 31523 21202 25733 26088 42605 24528 28764 33735 44566 28903 59835 22449 22202 36234 18216 35039 34858 35908 39284 25728 20725 28937 SM (d39:1) [M+H]+ 2269 1594 1857 1966 1821 1549 1531 1484 1804 1954 1429 1528 1492 2123 1997 1939 1999 1896 1430 1715 1422 1562 2029 1243 1811 1691 1468 1698 1591 1578 1821 2142 1758 1789 1913 1949 1175 1519 1877 1167 1923 1768 2052 1437 1988 1993 1998 1817 2653 1653 1543 2314 1371 2094 1887 2163 2549 1660 1401 1703 SM (d40:2) A [M+H]+ 11474 8853 10124 9430 6123 6687 6575 8355 7339 9547 7137 5835 8688 10129 9671 6979 8449 8753 6972 9420 7382 10541 10498 3758 7876 6322 3658 7356 7907 7507 9042 13122 5810 5316 6758 7945 3806 6263 7501 4412 8758 7364 12951 6453 8023 11048 12445 7810 20585 7503 6510 10041 4631 10758 9474 10274 10458 5577 5328 7434 SM (d42:2) A [M+H]+ 3272 1619 2196 1387 1301 1755 1759 1393 2320 1517 1065 808 1598 3151 1348 1434 1474 1461 2042 1623 2645 1833 1828 1123 2203 2137 1673 1821 2335 1709 2332 3198 1820 1685 1722 1832 1714 1673 2111 1555 1528 1665 2159 1510 1391 2092 1932 1411 1842 1685 1331 1613 1205 1908 1465 1717 1828 2110 1456 1507 TG (46:1) [M+NH4]+ 641 2015 2805 3431 686 867 1224 1367 3439 1447 1448 1137 2309 1661 1562 1995 2574 5706 794 1739 868 2176 1544 674 1138 1081 974 1264 1982 1519 4039 2840 1691 718 1142 1461 656 1112 931 866 1308 983 3959 1233 1638 880 2347 3721 1849 855 2734 8614 2766 3807 10168 4266 4446 904 828 1146 TG (48:1) [M+NH4]+ 3297 16776 21284 24107 2215 5270 7914 9510 24223 11785 9268 3067 16776 10464 9756 15460 19134 34290 2978 14644 2705 20095 10726 2552 3292 3452 4462 8875 13499 8076 29327 19224 12049 2398 3437 12711 2013 7182 4745 2367 9119 2713 21971 8549 13815 7970 19234 24227 13400 5343 22074 46708 19072 26264 56469 26060 29572 1989 2172 8643 TG (48:2) [M+NH4]+ 639 3256 2402 3918 890 961 846 1090 5069 1488 1119 916 2319 1169 1368 2311 3426 6950 857 1471 802 3514 1285 781 949 1029 863 794 1769 1022 4761 1562 1690 783 571 1628 797 1048 871 716 1129 825 4369 1163 1929 1145 3451 4908 1215 1206 4082 11262 4019 4932 14551 5238 6128 838 807 1005 TG (49:1) [M+NH4]+ 794 3434 5114 4568 900 941 1239 1444 5078 1845 1471 917 3553 1818 1466 2033 3076 7995 747 2616 856 4247 2086 870 795 832 1302 1663 2249 1701 7340 4300 1602 932 1194 2358 621 1096 836 727 1477 666 4012 1290 3064 1349 3256 4682 2205 837 4248 9026 2072 4569 12519 4301 5545 619 672 1462 TG (49:2) [M+NH4]+ 678 2137 1736 1331 715 917 930 954 1820 1327 999 522 1211 1023 1205 1786 1439 3369 717 880 580 1611 881 558 568 724 1048 823 1366 996 3140 1074 1096 691 583 1182 484 889 755 528 885 635 1887 1132 1334 588 1486 1668 1075 597 1796 4861 1290 1850 6582 2463 2439 649 390 992 TG (50:1) [M+NH4]+ 10047 52930 64594 64141 6691 18547 25745 27956 66285 35139 28941 9513 53098 33840 28193 41356 47075 95608 9581 49782 8789 58744 34689 6631 12132 13735 18498 27308 42099 25419 83103 56291 36660 7423 10159 40754 5637 22608 13670 6161 25077 5997 52090 26019 45500 23770 48803 60213 34943 16319 56502 104662 43194 71249 138893 64252 81607 6803 6616 24886 TG (50:2) [M+NH4]+ 4055 30284 28946 34275 3077 8620 11015 13969 38196 14567 10711 4339 26221 14054 14526 24104 23792 48122 4590 21509 4117 30046 15994 3436 4870 4787 8330 7865 14820 10108 38263 19968 18353 3222 4585 20506 2687 9247 5565 2934 11707 3753 29692 10499 23960 10933 24666 33792 12204 5985 31277 68331 30586 35908 85498 33083 48055 3523 3228 10334 TG (50:3) [M+NH4]+ 750 3456 3586 4141 616 1280 1242 1499 3304 1605 1543 784 1800 2172 1501 2011 3092 6811 654 3538 617 4347 1604 535 675 1433 1962 994 1871 1151 4183 3411 1783 582 993 3016 652 1123 960 598 848 526 4689 2119 2759 892 1846 4459 784 1009 3897 9806 3260 4526 12359 4465 5241 726 576 928 TG (50:4) [M+NH4]+ 718 3338 4321 5246 633 1170 2507 2047 3327 2998 2201 833 4141 2298 1795 3452 5366 11941 807 2407 760 6014 3321 655 999 1193 1987 3394 4695 2328 6551 7893 2870 760 863 3480 747 2038 981 738 1873 609 7063 3131 2284 1360 3693 4524 4192 1628 2811 7619 3378 4769 10670 7675 4534 709 618 2223 TG (50:6) [M+NH4]+ 1045 4065 6061 6047 802 1448 2398 2489 6010 3394 2637 1011 5261 2720 2634 5038 5819 15396 1249 4509 1378 6969 4217 920 1576 1197 1452 4893 6488 2896 6593 8982 3583 962 1084 3552 715 1856 1936 894 2893 910 9575 2846 3253 1839 5436 7192 5509 2507 4695 12326 6700 8279 15990 9316 7187 966 801 2699 TG (51:1) [M+NH4]+ 869 4764 6907 6609 461 1609 2058 2056 6606 3445 2215 752 4802 2204 1826 3455 4077 8375 741 4801 710 6352 2879 484 1023 1405 1484 2074 3603 1963 8281 5113 2683 619 859 3941 408 1462 958 484 2353 341 4964 2035 4458 1800 4233 5297 2440 888 5484 10021 2442 6211 12918 5654 7244 662 414 2208 TG (51:2) [M+NH4]+ 1918 8117 9771 10501 1277 2417 3398 3623 10838 4090 3381 1449 6954 3766 4270 5761 5880 13479 1197 6662 1549 8471 4856 938 1880 2382 2886 2678 4617 3530 11920 6729 4745 1355 1943 6679 1134 3113 1555 1125 2818 1291 7237 2898 6940 3017 6947 8427 2677 2025 7908 16860 5825 8597 23087 8200 12894 1266 1269 2745 TG (51:3) [M+Na]+ 1444 4767 5004 5505 934 1745 1647 2596 6734 2160 2168 1089 4274 2618 2139 3342 5567 8994 1055 4000 1323 5963 3209 910 837 2133 2879 1733 3162 2312 6032 6235 4245 937 1293 4913 745 1415 1200 712 1335 724 6917 2752 4140 2416 3921 5093 2813 1294 4457 8987 4919 6562 15270 9546 8701 858 706 1820 TG (51:3) [M+NH4]+ 829 5132 3163 5455 474 2152 3183 2633 5871 5252 3897 793 4368 3948 3012 3730 6180 3318 905 5739 732 3591 4460 533 1578 1128 1752 4090 7259 3678 7243 4261 5610 630 759 3189 354 4356 924 358 2255 409 6631 5964 5705 2000 5262 7623 5071 2497 4489 6621 4221 3184 8750 11510 3538 367 381 2779 TG (51:4) [M+NH4]+ 215 1312 1365 1853 230 465 680 801 1960 882 587 336 1048 775 632 1207 1337 2122 327 1911 230 1635 900 99 258 566 1012 760 1375 905 1689 3502 1655 343 371 1857 287 669 420 251 500 323 1500 967 1168 441 1184 1636 553 1090 2818 1067 1417 3535 1927 1544 295 268 554 TG (51:5) [M+NH4]+ 1282 3738 7562 7178 515 2232 2520 2008 6623 3825 2333 823 4332 2912 2307 3845 6107 11571 794 5610 918 7273 3834 564 1216 1222 2245 3533 5707 2526 12129 8624 3937 830 1005 4579 613 1652 1361 640 2950 725 6157 3670 3155 1979 3663 7164 4501 1886 4355 9530 2996 7231 13531 6074 5658 672 540 3612 TG (52:1) [M+Na]+ 8026 61619 75509 66487 3826 19581 32706 28726 64710 46528 35781 8106 58197 40436 28572 43193 54220 105122 7089 57653 6581 76607 41522 4166 12502 11741 13991 30074 47204 25550 89686 56417 35537 5343 4920 39338 2925 24734 10280 3012 26355 3727 60894 32185 47713 24523 53045 57288 37576 17168 57047 101341 40982 73752 142597 76910 87332 4194 2661 27182 TG (52:2) [M+NH4]+ 13591 81990 81630 90182 9942 29808 34821 43936 95304 42911 33476 14555 74993 43807 41780 63119 58977 114940 12068 66760 12560 86264 47687 8913 16602 21919 30217 24252 44033 33016 96432 59886 49134 9528 15948 61647 7326 28032 16774 8907 30930 9391 70375 33404 71442 31970 63058 81274 33547 18461 80193 145300 65041 89836 188324 78933 120521 10584 9612 30502 TG (52:3) [M+NH4]+ 4557 38116 32993 35760 3693 10013 12553 16742 35584 16153 12587 4516 26532 16872 17386 24411 22573 49641 4183 24592 3954 35018 18798 3205 4209 7997 10967 8788 14321 11378 30652 20286 15601 3579 5026 23585 3957 9242 4806 3114 9328 2769 30393 13847 28993 9552 21878 33575 10110 4118 30651 53048 21308 30616 69051 29663 40853 3307 2953 9813 TG (52:4) [M+NH4]+ 2334 21195 23442 24520 1589 6478 10659 9551 23538 14453 11251 2821 20634 12402 9248 19407 23026 54736 2495 22793 2349 30416 17082 1595 3947 5344 9804 16662 23437 9634 36934 30874 17501 1640 3022 20567 1195 9727 3992 1497 9510 1563 27320 15702 15440 7475 19688 25525 17473 5323 19883 43533 13496 31397 59125 31246 29816 1691 1589 8784 TG (52:5) [M+NH4]+ 1898 11623 16046 16469 753 3317 6276 6590 16872 8344 6642 1912 14157 7410 6585 12539 17338 45744 1641 14724 1477 19177 11043 1329 2581 2501 3117 15268 22602 7015 23550 33499 11207 1433 1707 13165 849 5248 3061 1046 8264 1127 22364 7803 9602 4308 13582 18473 12710 5522 13310 32970 11954 24153 42728 22510 19560 1171 963 6786 TG (53:1) [M+NH4]+ 1453 5914 9393 8794 751 2313 3776 2878 7616 4501 3265 1122 5568 3998 3377 4537 5924 9564 1465 5465 1180 8595 3420 785 1871 2345 2603 2286 4897 3144 9242 4941 3827 1075 1221 4573 659 2537 1320 716 2402 795 6923 3083 5966 2565 5203 6997 3450 2018 6789 11177 3601 7859 12880 7441 8356 719 518 3847 TG (53:2) [M+Na]+ 1937 12141 13071 13600 966 5614 5273 6773 13814 7141 5554 2904 10803 6931 5765 9264 8717 14624 1013 10185 1367 13142 7321 989 3640 5018 4932 4391 7012 5499 13433 9492 7272 1436 2235 9904 882 5026 3018 1262 5046 1429 9997 5211 10895 5341 8843 11311 4619 3265 11780 19989 8443 12419 24620 11534 16592 674 897 6026 TG (53:3) [M+Na]+ 1242 8452 7035 7522 853 2722 2856 3799 9512 3741 3756 763 5334 3262 3354 4380 5700 11466 1001 5649 1455 10098 4839 895 1437 2083 3642 2237 4034 3403 8190 6658 5027 779 1289 6547 653 1969 1356 672 1995 787 6787 3180 6425 1973 5129 6518 3099 1521 6255 11772 3894 7581 18416 9499 8864 821 694 2261 TG (53:4) [M+Na]+ 931 4709 4745 6204 536 477 727 2584 5151 1354 2516 1015 3491 697 866 4108 3175 7322 760 6797 449 5622 3062 505 533 2356 3134 1925 3440 662 4827 11831 4272 811 1211 7264 462 402 1050 539 816 573 5052 744 3898 449 2681 1529 1078 444 3495 7358 3694 4294 10793 7748 5987 704 629 495 TG (54:1) [M+NH4]+ 2722 21503 29217 26802 1437 5887 12783 10114 21117 19772 15254 2789 19375 15697 10567 14720 22299 37740 2341 17416 2490 28870 12824 1518 5136 3551 4736 11056 17133 8616 28195 18522 10597 3061 1931 12070 1091 9185 4092 1097 8422 1411 23662 12222 16135 8884 19553 23292 14779 5942 22624 37914 13130 27811 44567 31941 28683 1412 1066 9865 TG (54:2) [M+NH4]+ 7282 70762 65919 69617 3629 20856 31136 32798 71927 37670 24671 8539 61483 34815 28080 47473 47774 86177 6821 51388 6813 73019 37115 4446 11549 13790 18381 16898 37809 23780 75527 46463 34221 4825 7228 41744 2916 21865 9924 3307 22932 4002 56416 26660 56792 24937 51262 61763 28046 12468 65980 113946 47392 71473 145171 67220 94992 4134 3657 24007 TG (54:3) [M+NH4]+ 7149 54091 44412 51122 4649 17048 20091 28284 51103 23732 17838 7963 40483 25809 24332 34223 30367 58784 5974 35729 6937 48227 24540 4060 7664 12918 17757 12146 22507 16693 41555 27745 21608 4091 7503 35062 3376 14259 7789 3653 13168 4121 38587 19163 45513 14694 30074 43687 14040 8001 45867 72091 28613 45016 88991 38563 57746 4219 3678 14324 TG (54:4) [M+NH4]+ 3518 32009 28876 32985 2668 7815 10879 15156 31552 11842 10008 3665 22549 14893 14177 18497 14973 42404 3159 23089 3634 22834 17021 2494 3991 9022 13537 8267 14373 7342 25854 19695 13559 2619 3998 28548 2075 7935 3759 2672 7244 2696 20566 10323 25126 6588 13624 26395 9328 4842 26253 42179 12664 27342 38404 26487 29499 2406 2252 8213 TG (54:5) A [M+Na]+ 7457 62966 92034 69628 2368 19725 28224 28135 79257 40379 33063 7294 72001 33689 31867 55412 62123 245433 6080 85349 5364 85592 47162 3851 14300 12439 16672 73694 105875 31722 151745 192870 55118 5459 6541 57746 2637 24621 12582 3714 35858 3147 89285 42314 45906 20234 61633 92566 55767 22183 66719 162609 36071 108595 238116 88114 101261 3746 2651 29596 TG (54:5) B [M+Na]+ 2788 19309 27362 24411 1203 7002 13535 9548 25159 17862 12642 2170 21487 12163 6663 14284 22398 57835 3213 26217 2286 34975 16454 1387 4678 3655 5827 21835 29509 12686 42227 43348 17115 1393 2468 18705 1047 11012 4123 1612 10687 1544 25604 17907 12052 7662 18287 25168 19181 7804 17894 38344 10886 35239 54684 27362 26512 2077 1403 9736 TG (54:5); TG(16:1/16:1/22:3); [M+Na]+ 3823 35078 43573 43153 1651 11403 20965 15867 38142 28859 20627 4650 37403 21193 12862 27399 38470 94059 3988 42749 3091 56158 28733 1733 6948 6263 9086 27761 46283 18428 62193 69151 28821 1915 3746 32979 1376 16677 6245 1690 16449 1539 43866 29474 24397 11394 30698 38680 29029 8445 30931 64611 19844 54747 88127 49706 43520 1869 1296 16705 TG (54:6) A [M+NH4]+ 2201 23185 20422 22630 1235 5430 7724 9375 29060 11855 8765 2497 20563 8673 13824 23012 22374 59197 1624 15828 2529 26934 12210 1653 3193 2499 3482 11346 20331 9309 38150 29554 16883 1525 2233 13363 1317 7096 4165 1626 11130 1078 26514 8753 20054 8793 25225 29454 12501 5914 27972 62386 23462 32932 83507 30453 36191 1334 1049 8327 TG (54:6) B [M+NH4]+ 10803 76338 169326 99839 3689 23603 30337 39904 109251 56497 37258 10849 88778 41139 40723 76250 85216 356846 9443 87990 8441 109172 56748 6683 13828 17584 27320 251823 90016 35470 143113 144339 57992 7782 9204 78605 3432 32959 15180 5563 40896 4245 96454 49020 72069 60612 66378 106661 46083 19250 97422 196256 62599 127242 256749 108726 132335 6609 4006 37679 TG (54:6); TG(16:0/16:0/22:6); [M+NH4]+ 22937 323657 443731 363718 4506 85777 139151 128537 408279 194584 157807 24302 357591 160525 139389 272068 313138 1122813 20064 364348 16076 446679 237185 9910 46049 36585 51616 339195 508196 155391 747188 849758 270993 13162 17779 250603 5568 117230 45372 7896 163891 5388 450261 215436 226023 102267 329659 429335 267345 94622 344916 741672 192740 525777 1090390 457386 478823 9495 5272 139869 TG (56:1) [M+NH4]+ 2310 10573 16389 18661 1006 3778 8610 6304 11342 12772 9165 1815 9184 9943 6516 8139 14638 21237 1871 8501 1958 16517 7097 1045 3265 2782 3691 6084 8803 5303 15584 11034 6638 1635 1646 6893 900 6598 2992 767 5318 925 16960 7564 9804 5580 13561 15800 10307 4442 15006 24654 7649 16962 24449 21982 16971 839 801 6668 TG (56:2) [M+NH4]+ 4124 41849 43512 45275 1795 12843 24224 20062 41835 29628 18631 4631 36513 26160 18170 28490 34914 53283 4504 29848 3691 50751 26808 2079 8822 7101 9413 11284 25157 15153 44371 27638 17954 2566 2987 23006 1635 15583 5428 1618 15022 1563 42758 21030 32695 17026 35104 40145 22052 9069 42137 66174 24861 42898 78332 50032 53958 1986 1197 17820 TG (56:3) [M+Na]+ 3441 38028 33146 35434 1822 12259 17577 18943 34109 19927 13015 5111 27939 19163 15425 23060 23139 36918 3341 22879 4195 37839 18398 1580 5226 6407 10119 7919 15470 10431 28041 15529 11730 1572 3752 19128 1665 10171 3933 1720 8206 1399 31301 15435 31662 12211 23558 30194 10736 5370 33968 49222 17833 29070 59116 32842 38858 1781 1411 10784 TG (56:4) [M+NH4]+ 2122 20427 15593 22298 1304 6230 10339 11874 20590 9817 7377 2845 16163 11589 10030 13161 13888 18454 2051 12465 2821 19676 11104 1008 2507 4316 7099 3561 7950 4322 11449 8408 4721 870 2097 14041 986 5217 2042 1212 4485 990 16015 9164 21350 4357 12704 17861 5198 2617 19402 24380 7379 15714 24136 14153 18383 1189 742 4708 TG (56:5) [M+Na]+ 1270 5371 5372 4825 532 1975 4768 2421 6850 6010 2393 719 3844 4789 2076 2361 7866 8147 807 3067 1250 9386 5465 718 1199 1797 1566 6028 3756 4099 6222 8124 3302 599 770 5389 520 2212 888 466 2001 515 8468 5393 2926 3464 6691 7160 5756 1894 7318 10224 3169 2999 5302 5254 8052 524 508 4008 TG (56:5) [M+NH4]+ 968 9892 13679 12755 361 1251 3530 1184 12511 8048 1841 909 10579 5831 2100 7458 10916 21922 656 9231 1290 15201 5914 541 1559 1250 1098 4259 8898 1796 10062 13598 4795 435 674 8078 333 1436 888 503 1626 301 12913 6171 9087 1814 10170 9104 4319 2082 11743 22638 5188 15236 27399 15753 12497 430 335 5605 TG (56:6) [M+Na]+ 3078 23989 28119 27379 1329 10672 17352 12448 26700 24051 13617 3864 25750 18339 13826 22051 29406 46172 3347 28070 3015 37440 22269 1493 6450 6456 5758 15033 31527 15263 36786 41036 18382 1958 2810 27756 827 14843 5950 1374 15133 1482 33725 20123 18851 11784 25206 29607 24014 7579 24173 42569 17539 36897 52970 36074 38633 1504 1116 15861 TG (56:6); TG(16:0/20:1/20:5); [M+NH4]+ 7870 107813 148316 120574 1838 31085 50789 44334 115498 72988 56366 8465 117364 55695 40963 76020 99438 363739 7516 111815 5817 160674 79420 3076 16539 13443 21388 117234 174088 51215 213582 218603 80169 4891 5600 78515 1959 39709 14571 2817 45358 1903 132443 71334 77630 31049 95992 115751 77243 31470 102867 210896 57755 158372 310214 145435 134956 3364 1817 44280 TG (56:7) [M+NH4]+ 8734 68953 72249 75752 5071 22396 30510 36113 89795 45379 28773 8720 79428 34738 47570 70168 74790 161654 6314 101368 6930 87045 45901 4513 11042 21657 20213 34237 96214 28855 88520 121474 53136 5720 10399 71513 2829 21792 15293 4479 42023 4705 86788 38578 65928 22332 64166 105651 51185 14227 83674 175936 53215 139415 229485 88182 154916 5100 5388 40591 TG (56:7); TG(16:0/18:1/22:6); [M+NH4]+ 19874 327105 301069 329581 9563 77914 121794 131178 407227 155553 111699 30036 311445 121791 146507 260879 228573 776735 20749 243974 22082 368734 161448 13707 41203 49868 85779 157228 335529 132765 552008 501430 216774 13187 27814 231072 7440 95631 43837 12901 123987 11785 312498 124281 273873 103626 294568 370105 147302 67342 398383 744870 214479 424418 986019 341364 459061 13214 10169 107919 TG (56:8) [M+NH4]+ 3246 78881 54383 65052 1791 13883 21521 27302 84985 31724 22650 6147 53519 24282 36543 59483 47472 135092 2206 37179 3998 71615 30087 2307 4087 9640 17941 18524 39580 21494 71610 51345 39469 1957 3986 43617 1595 15142 6263 2466 18731 1990 65749 22773 63517 17649 55552 75688 17372 9083 80558 148895 51180 76008 195335 65645 84038 2069 1644 16043 TG (56:9) [M+NH4]+ 575 7432 8266 8049 369 679 1594 1681 9284 4370 2025 647 5221 1835 2500 4654 5603 20900 579 6837 529 8557 3456 462 807 1964 4356 4493 10997 3554 11656 17106 5815 483 919 9319 346 1557 674 366 2093 412 9153 2388 6339 1507 5534 9550 4124 1272 8275 20062 2541 9749 25763 7859 7947 411 441 2149 TG (57:7) [M+Na]+ 1920 26862 27517 29228 865 7571 13140 11294 32224 16045 10560 2493 24877 12466 11106 19855 21180 49588 1826 19932 1979 32471 16231 1200 3061 4065 9538 13233 26928 11596 38546 33562 16836 1455 2628 19825 900 8946 3212 1249 9248 892 28513 13496 24318 9247 23860 28130 13179 4986 30626 49049 15072 30672 64575 27882 32790 1476 964 9745 TG (58:1) [M+NH4]+ 1136 4290 5586 6792 605 1728 3649 2472 4199 5331 3870 820 3528 4315 3280 3383 4730 7685 987 3630 1099 6552 3426 444 1975 1902 1904 2035 3540 2444 5972 3882 2358 1324 1030 3229 503 2873 1852 445 3093 496 5862 3370 4137 2471 4926 6252 3862 1654 5681 9773 2855 7415 9452 7406 7840 565 363 3532 TG (58:10) [M+Na]+ 1727 16799 18618 14197 1207 3429 4552 4147 15006 8774 5858 1681 13277 4341 3308 8271 12162 45925 1556 11089 1722 20235 7007 1037 1933 2224 10283 13515 24126 7437 31122 33944 7715 1298 1705 12990 907 4683 2060 1003 6022 1360 24757 7391 7205 5346 15921 9692 8510 3759 18752 35863 7472 14759 50840 13159 12532 1371 1331 5243 TG (58:11); TG(16:0/20:5/22:6); [M+NH4]+ 10636 206057 245840 184434 4831 46821 80277 74732 189084 160214 107365 16371 217463 76507 105447 169529 203238 706525 11954 220741 11058 263726 143880 6766 24121 21903 38462 243307 481471 125290 427851 578631 157563 10140 11391 195257 4748 68816 30613 6576 106444 5957 342746 142578 151270 81740 233578 270119 174757 64953 286591 467804 127865 278696 756387 259310 287049 6607 4433 93277 TG (58:12) [M+Na]+ 1867 23308 33565 20688 976 6111 8746 9600 23119 19676 13092 2226 32533 10528 18490 21850 22926 81310 1595 29903 2100 31091 18026 1210 3952 2333 4028 46882 78900 19566 41430 70541 17963 2107 1607 19621 889 7441 4620 960 13097 995 64680 14339 16589 9386 32168 33054 24018 12392 31011 57839 20427 30717 74804 31105 30300 1052 918 9946 TG (58:2) [M+NH4]+ 3667 30760 32990 38148 1347 9432 19102 14807 29981 22904 14757 3746 23223 21485 13942 19906 27519 45582 4225 21362 4774 43934 19027 1310 7331 5670 6199 7926 17780 10338 34171 19598 11901 1235 2956 16625 939 11470 4790 1186 11168 1028 32769 15256 24802 12061 29703 34105 18619 8074 33927 55866 16965 34089 62831 45541 48726 1437 764 14888 TG (58:3) [M+Na]+ 1161 11196 9334 11260 466 3667 6065 5661 10132 6415 4506 1788 8250 6150 4933 7344 7559 11026 1356 6540 1304 11937 6081 501 1879 1363 2353 2429 5129 3488 8504 4843 2770 319 822 5345 323 3617 1266 566 3099 423 9204 4969 8939 3845 7731 10196 4090 1838 11131 14405 5728 8720 16430 11049 12106 527 266 3783 TG (58:4) A [M+NH4]+ 1209 13760 11099 13626 863 3235 5603 5940 11442 6776 5454 1882 8703 7261 5713 7875 7826 11781 1337 7783 1768 14619 5953 742 2083 2317 2389 2744 5616 3571 8382 4222 3798 746 1342 5489 549 3694 1607 703 2586 552 11085 4638 10966 3240 7737 10927 4045 2329 11837 15971 4158 9368 12622 12078 11836 735 693 3557 TG (58:6) [M+Na]+ 1626 18726 18189 18040 721 8428 10242 9296 18353 14757 9769 2178 18622 11276 8443 14243 17135 30963 1778 14790 2026 21623 14537 1338 4291 2791 5877 11728 21183 10119 23450 24801 13076 982 1264 14167 750 9453 3242 1110 7964 810 21509 12204 15639 8554 19302 17059 12399 5872 17737 28119 12252 19147 32066 21963 18801 1060 788 8157 TG (58:7); TG(16:0/20:1/22:6); [M+NH4]+ 16643 222400 239530 238942 4492 67851 115499 89780 243716 150066 93761 21569 202690 113068 93494 162009 200433 553163 16097 174906 16225 309110 143082 7417 37408 30300 47258 119665 258969 91577 345486 329686 127264 8052 13845 146677 4664 78324 28457 5952 89129 5211 299021 129920 172863 74349 226028 224283 145284 50164 236897 462924 122791 292491 638824 289377 283194 6406 3962 95014 TG (58:8) [M+NH4]+ 7051 129999 110475 128618 4142 30237 47421 55326 147815 58463 44662 12402 100908 46888 57422 95148 81609 237137 5747 69537 10032 138408 56351 4287 13597 19871 42482 34058 82228 37929 147302 93920 58960 3482 10619 77845 3184 29812 13636 5128 32114 3572 127997 48068 122451 32191 102881 126780 35031 17578 153984 277381 71591 139263 371247 115688 154864 4413 3416 33126 TG (58:9) [M+NH4]+ 3414 52262 47111 45899 1837 10641 18219 17407 42297 25362 17151 3912 31439 19188 21038 28378 30684 75882 2477 26035 2570 50095 24263 1439 3726 7684 15724 12106 24651 14017 35746 29259 17000 1660 3336 31758 1200 9100 3995 1638 8243 1467 50300 24784 43125 9508 33483 39852 11213 4257 42182 62002 14928 36902 78116 36400 36207 2263 1207 10860 TG (60:11) [M+NH4]+ 1595 40010 39844 32434 1238 8023 14940 11802 35947 25071 16625 2611 36519 14489 17952 27672 31254 81323 1681 32699 2004 44009 22641 1201 3690 3201 5024 29818 59988 16378 57077 67179 19412 1735 2487 25934 872 10108 2965 1423 14944 1128 50005 22576 26364 12883 39076 40991 22777 9007 46314 74878 17813 39805 86968 34842 40882 1185 1422 14789 TG (60:12); TG(16:0/22:6/22:6); [M+NH4]+ 12294 282961 403335 195370 5165 65348 94165 86664 238820 167418 127096 17174 283398 92796 139503 195351 189958 786261 13307 296981 15865 322300 154596 8613 34283 22782 41913 343667 806565 148574 545196 786923 183727 13920 13969 202096 5464 82701 37108 7993 133183 7758 413774 148013 169740 110148 320358 296863 188165 87510 327292 605674 151592 298057 944300 234947 334317 8050 4869 101594 TG (60:13); TG(16:1/22:6/22:6); [M+Na]+ 1719 42238 37736 29523 888 9468 9342 14311 46369 25701 20764 3148 40112 10567 34198 43450 27820 84466 2017 22873 3554 47787 19958 1765 3901 2644 5259 25219 51799 20571 60767 47632 27213 1615 1906 23467 995 10268 5290 1936 18808 1256 53223 12395 29880 15685 55343 43035 16778 13128 54418 96154 32529 40975 136045 39543 53303 1405 998 10886 TG (60:2) [M+NH4]+ 2965 17341 17740 22056 814 5515 12148 8534 16113 15631 10703 2476 13204 14473 9755 11438 15760 26284 2549 13242 3481 26275 11502 782 5193 4017 4206 5620 12151 6686 20560 11350 6934 937 2047 8731 620 7851 3061 1067 7477 669 20395 10100 15039 7810 16918 21436 13968 5271 19865 32624 9463 22132 35833 27095 31238 733 552 10642 TG (60:8) [M+Na]+ 5241 84802 66540 81885 1938 22199 39490 33429 91696 45913 31837 8287 66608 35972 34293 59027 57564 149048 4563 48190 6557 101748 40752 2572 11199 11765 20565 26820 64796 27387 88478 71412 35297 2396 5461 44033 1880 24453 8344 2579 23824 1926 84998 36074 72510 24327 72549 79962 35635 15474 94036 173116 41861 93183 213303 90454 95511 2363 1783 29002 TG (62:12) [M+Na]+ 2760 52704 72709 37258 1379 11845 18871 15292 37549 31542 25678 3571 52640 15828 19367 30180 31483 120643 2583 51163 2793 63957 26877 1746 6473 4854 9726 69271 169306 27152 90454 111109 30413 3178 2749 36382 1385 15677 7283 1616 19895 1450 58487 23834 33137 19330 49452 48390 31917 16336 58103 91460 25994 50076 139111 41576 53222 1514 1059 17520 TG (62:13) [M+Na]+ 4876 126258 115031 93261 2830 27005 41682 45815 121482 64971 53343 9056 118204 35892 69961 96134 63354 235317 5476 82539 8513 131562 55910 4618 12784 14748 35431 77674 206266 54213 172248 173502 69249 4976 8427 83412 2437 30638 15508 4538 41926 3573 118739 37090 105497 44253 130596 120055 48348 35899 167825 272772 74459 126089 423120 88444 158556 3821 2638 35522 TG (64:17); TG(20:5/22:6/22:6); [M+NH4]+ 7443 110232 153979 75053 4789 21925 32112 33000 77988 109852 71775 9335 119717 33116 86889 88697 76008 281301 7516 95214 8910 124260 77705 5285 12509 10059 17128 153899 314954 84576 174054 215930 62814 9178 7140 84261 4346 30546 24281 4956 44689 6635 256820 62673 76780 46819 153595 126447 80155 51751 162166 225032 58557 114391 339941 106303 130909 6012 4196 41132 CSH_posESI #034 13200 12694 11569 12783 10528 12110 12720 13226 13323 13432 12670 12020 12960 13975 13616 12998 12616 14020 12025 13675 12220 13663 13739 11569 14441 10982 10634 12911 15429 13732 13955 13975 12459 10939 11527 12056 10294 12854 13099 11344 13511 12420 14642 13673 12162 13187 13865 13464 13252 13949 12975 13365 12126 12687 13434 12809 12879 12080 11386 12919 CSH_posESI #036 107940 98300 105728 96911 65667 91746 62695 102754 75607 79138 57204 63941 64505 104435 108627 81278 80066 74850 62328 84966 74645 94637 81917 21001 57913 65780 43236 62425 52796 63507 41231 48608 41320 35561 73685 67676 32752 57586 64662 40530 41427 43562 103038 65795 80577 56105 73919 56467 96831 48423 44020 65657 32832 61644 67076 61417 55574 55011 30226 58412 CSH_posESI #061 67841 59481 71318 59728 40337 64283 43226 48061 58607 49608 39333 33264 55087 69426 64421 58390 53820 59456 52219 62103 45635 53641 52584 25461 56634 48941 38949 46536 46853 60880 58638 79011 53770 36840 54844 61279 27614 59441 56833 34831 45034 51588 50369 51903 60069 60592 79392 48414 86852 42497 44690 64714 29701 64561 71189 51292 67368 45304 33540 58345 CSH_posESI #079 827 7709 6204 8076 357 1811 4121 3834 5858 4632 2591 860 4758 4847 2674 4161 5231 9583 714 3372 1077 7879 4147 279 1275 1002 1715 1556 3863 2348 6953 3414 2438 373 520 3546 279 2306 807 353 1388 245 6189 3428 5062 2576 4732 6219 2074 1542 6592 9160 3693 5847 11561 9691 7993 247 188 1907 CSH_posESI #103 1125712 1148717 1494393 1223235 889024 955950 800536 902350 892113 1146740 903896 720188 1122199 1098585 1449833 1023531 949499 1306112 905821 1382633 853619 1049563 1060242 517321 907784 1013659 752941 1164078 1269312 1274226 1092018 1356754 777933 694237 1033016 1238325 559934 1003087 1082142 612723 845718 943096 1383451 881808 1092660 1093095 1225676 874229 1725687 964923 688325 1122583 522658 1060766 1031281 981416 1103858 705874 547095 795705 CSH_posESI #116 77458 43423 50451 56900 77910 64032 48960 57400 40411 58893 53733 65437 42550 66940 59437 53780 53052 34149 65428 48602 66585 40714 50606 45524 66547 66168 55290 40511 29010 50298 41606 36871 50456 57767 77952 62286 58688 60221 77019 56557 49417 70506 42116 42631 56130 64381 54036 45407 72703 59598 37720 43160 42750 57284 33776 53090 54974 69248 65400 64457 CSH_posESI #124 1476 1407 1634 1613 1220 1211 1045 1453 1238 1265 877 894 1287 1555 1561 1285 1122 1423 980 1387 899 1320 1086 444 791 1427 1108 1283 951 1317 971 1397 893 638 1582 1766 586 1036 913 802 631 832 1186 1022 1416 1261 1428 1172 1530 942 915 1171 572 1345 1045 1579 1059 1227 734 1033 CSH_posESI #192 654 6501 5709 6486 401 882 1256 978 4483 950 1082 592 1549 1125 1938 1930 1504 3818 410 1683 604 2693 1353 344 775 1375 1474 2622 2204 1294 1474 3162 2698 352 673 2648 228 846 638 416 918 290 5899 1498 3787 616 1935 2111 1199 1001 6230 11015 625 1909 13616 1630 1609 338 182 1834 CSH_posESI #230 1726 1540 CSH_posESI #231 3785 5008 4541 3316 3615 2678 4032 4512 3297 3481 4456 4392 3240 4432 3788 4020 2535 3580 1886 4470 3960 4046 4163 3031 4227 3637 1971 4476 4942 3527 3501 2811 2796 2951 2997 3448 3467 4386 3502 3727 3804 CSH_posESI #270 34615 28336 40051 37838 30783 35706 26817 32178 28171 33794 27548 23760 29317 41301 32106 30903 36495 30918 26073 28713 26322 33645 32358 15721 31334 30553 21857 26660 29131 27059 28684 30128 26524 18937 35441 27310 17371 27240 31249 19446 22822 33270 34343 32506 42707 37308 32009 31785 44169 24984 27224 38444 24441 33605 37166 33537 33770 28506 24690 40935 CSH_posESI #275 12813 11142 13915 13752 12330 13924 11005 12681 11222 13501 11986 9341 11255 14364 12783 11380 13449 11603 11122 11491 10258 12154 12026 7255 12200 11423 8784 11236 12083 10936 11533 12399 11010 8079 13458 11174 7716 11382 12132 8550 9583 12651 13050 12300 14851 13338 12193 12963 15181 10573 11437 14306 9900 12238 13723 12834 12678 11478 10292 14014 CSH_posESI #285 2384 3217 3234 2820 2682 2549 2412 3007 2389 2704 2879 2561 3020 3122 2714 2834 2744 2446 2560 2697 2443 2644 2251 1579 2541 2408 2329 2468 1581 2470 2325 2620 2662 1276 2760 3048 1979 2448 2296 2579 1783 2462 2422 2236 2768 3146 2755 2081 2707 2214 2156 2975 2191 2276 2451 2844 2390 2520 1912 2111 CSH_posESI #288 2324 2511 2431 2154 1986 2765 2258 2143 2049 2629 2196 2016 1907 2279 3053 2600 2753 2444 1763 2229 2268 1895 2309 1703 2393 2056 1929 2278 2511 2364 2370 2328 2383 2346 2308 1895 1784 2821 2556 2375 2595 2201 2051 2301 2710 3108 2650 2580 3178 2029 2443 6029 2279 2756 2701 2402 2900 2348 2423 2842 CSH_posESI #290 3354 3445 3630 3785 2990 3432 2705 3085 2777 3088 3292 2837 2922 3615 3592 3296 3214 3413 2919 3454 2984 2958 3283 2043 2840 3208 2625 3085 3043 2975 2485 3139 3122 2325 3682 3397 2098 2810 3165 2774 2621 2825 2993 2708 3504 3246 3354 3253 3485 2685 2861 3435 2441 3055 3391 3162 3487 2852 2905 3049 CSH_posESI #293 3645 3117 2822 2518 3040 2075 2986 2210 2365 3193 2564 1783 2724 3473 3243 1796 3214 2397 1418 3197 2777 2738 3339 1301 3183 1902 1788 1909 1989 1774 2509 2613 1888 1666 2355 3018 2134 1151 2159 1448 1573 2834 3303 2160 3419 3825 3538 2727 4747 2737 2731 2344 1970 3528 3303 3106 2776 2155 2427 3877 CSH_posESI #296 4729 4402 5649 5677 3974 5136 3828 4976 3379 4603 3859 3887 4287 5941 4610 5105 4712 3271 3745 5505 4573 5045 3904 1826 3588 3847 2560 2730 2182 2742 3384 2474 3062 2522 4473 5227 2861 3740 3915 3013 3363 3521 4156 3025 5032 3404 4809 3468 6109 3248 3418 4839 2714 3977 4744 4316 4883 3234 2189 4549 CSH_posESI #301 21543 22683 21385 22517 23083 21516 21817 22300 22414 23066 22786 20983 22238 23011 22577 22882 22468 22564 21553 22335 20390 22229 22031 20050 22519 22906 22550 22263 21173 23104 22511 23572 21621 19411 22634 23841 18690 22383 22595 21635 20526 21620 21353 21811 22439 22061 22463 21620 22277 21605 21216 21257 20833 22736 23289 22515 22575 20993 22463 22437 CSH_posESI #303 1622 1363 1222 2112 1381 1957 1442 1081 956 1353 924 1279 838 1844 2007 1815 1739 2176 1422 1753 1419 1709 1397 773 1241 1601 1045 1055 1077 1026 982 860 822 966 1940 1201 978 1045 1448 1214 1066 1322 2281 1133 1887 1107 1938 1360 2319 1391 1503 1706 890 1495 972 1831 1545 1357 1017 1270 CSH_posESI #307 2030 1761 1765 1965 1719 1842 1765 1842 1920 1635 1512 1468 1722 1601 1758 2020 1815 1873 1497 2275 1555 1928 1788 1139 1672 1824 1812 1936 1837 1830 1849 2152 1906 1383 2045 1844 1155 1807 1862 1518 2063 1421 2133 1818 2042 1738 1405 1723 2009 1752 1615 2000 1555 2005 1726 1773 1868 1932 1602 2061 CSH_posESI #308 2327 2228 2460 2469 1838 2561 1310 1949 1740 1934 2046 1864 2144 1713 2360 1908 2351 2178 1665 1597 2043 2190 2009 1391 2286 2065 1743 1670 1723 1615 1855 2049 1851 1686 1952 2254 1376 1614 2181 1530 1563 1860 2531 1988 1655 3170 2902 2137 3399 2062 1838 2656 1398 2359 1989 2658 2932 1731 1631 2033 CSH_posESI #362 3186 1966 1840 2116 3129 2221 1913 1740 2697 2577 1977 2115 2114 3242 2337 2878 2828 2287 1632 3020 2921 2197 2648 1852 2889 3119 2235 3151 2986 2173 2648 2089 2924 2511 2306 1974 2328 2023 3053 2454 2916 2683 2121 2542 3117 2235 2848 2750 3367 2191 2137 3195 2022 2918 3058 2075 2493 2512 2925 2963 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name InChI Key Species quantified m/z rtimes (mins) CE (22:1) [M+NH4]+ iSTD SQHUGNAFKZZXOT-JWTURFAQSA-N [M+Na]+_[M+NH4]+ 724.6974_729.6529 11.76 Ceramide C17 [M+H-H2O]+ iSTD ICWGMOFDULMCFL-QKSCFGQVSA-N [M+H]+ _[M+Na]+ _[M+H-H2O]+ 552.5358_574.5170 _534.5244 6 Cholesterol d7 [M-H2O+H]+ iSTD HVYWMOMLDIMFJA-IFAPJKRJSA-N [M+H]+ 376.3954 4.81 CUDA (pos) [M+H]+ iSTD HPTJABJPZMULFH-UHFFFAOYSA-N [M+H]+ 341.2802 0.78 DG (12:0/12:0/0:0) [M+NH4]+ iSTD OQQOAWVKVDAJOI-VWLOTQADSA-N [M+Na]+_[M+NH4]+ 474.4154_479.3752 4.28 DG (18:1/2:0/0:0) [M+NH4]+ iSTD PWTCCMJTPHCGMS-YRBAHSOBSA-N [M+Na]+_[M+NH4]+ 416.3374_421.2931 3.17 LPC (17:0) [M+H]+ iSTD SRRQPVVYXBTRQK-XMMPIXPASA-N [M+H]+ 510.3557 1.83 LPE (17:1) [M+H]+ iSTD LNJNONCNASQZOB-HEDKFQSOSA-N [M+H]+ 466.2935 1.34 MG (17:0/0:0/0:0) [M+Na]+ iSTD SVUQHVRAGMNPLW-UHFFFAOYSA-N [M+H]+ _[M+Na]+ _[M+K]+ 367.2817_362.3261_345.3 3.04 PC (25:0) [M+H]+ iSTD FCTBVSCBBWKZML-WJOKGBTCSA-N [M+H]+ 636.461 3.51 PE (17:0/17:0) [M+H]+ iSTD YSFFAUPDXKTJMR-DIPNUNPCSA-N [M+H]+ 720.5539 6.31 SM (d35:1) [M+H]+ iSTD YMQZQHIESOAPQH-JXGHDCMNSA-N [M+H]+ 717.5888 5.11 Sphingosine (d17:1) [M+H]+ iSTD RBEJCQPPFCKTRZ-LHMZYYNSSA-N [M+H]+ 286.2743 1.04 TG (17:0/17:1/17:0) d5 [M+Na]+ iSTD OWYYELCHNALRQZ-ADIIQMQPSA-N [M+Na]+ _[M+NH4]+ 874.7874_869.828 11.05 Acylcarnitine (16:0) [M+H]+ XOMRRQXKHMYMOC-OAQYLSRUSA-N [M+H]+ 400.3427 1.58 Acylcarnitine (18:0) [M+H]+ FNPHNLNTJNMAEE-UHFFFAOYSA-N [M+H]+ 428.3736 2.34 Acylcarnitine (18:1) [M+H]+ HITOYGLMAFIRNI-YSESTWPTSA-N [M+H]+ 426.3577 1.73 Acylcarnitine (20:1) [M]+ PVOQPLSKYNZHOT-OUKQBFOZNA-O [M]+ 454.3893 2.48 Acylcarnitine (20:5) [M]+ USUPQTJPNBGUSJ-WMPRHZDHNA-O [M]+ 446.3267 1.04 Acylcarnitine (22:6) [M]+ WLLMYDQRCSWAST-BUHCESQUNA-O [M]+ 472.3423 1.24 CE (20:5) [M+Na]+ XZFUGMCJZFRBKF-JIKDAPOUSA-N [M+H]+ 693.5577 9.78 CE (22:6) [M+NH4]+ VOEVEGPMRIYYKC-HNJOWPRISA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 714.6187_735.5469_719.5737 9.95 Cholesterol [M-H2O+H]+ HVYWMOMLDIMFJA-DPAQBDIFSA-N [M+H]+ 369.3521 4.87 DG (38:5) [M+Na]+ GRGDLDNREYVILP-CNWVQWJYSA-N [M+Na]+ _[M+NH4]+ 665.5109_660.556 6.32 DG (38:6) [M+Na]+ YDVDXUYJFQLPEG-CTHJWPIASA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 663.4938_679.47_658.5403 5.87 Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0) [M+Na]+ HLIJNIKSBCIDGO-QKLMXXKVSA-N or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o-16:0) [M+H]+ VLBPIWYTPAXCFJ-DEOSSOPVSA-N [M+H]+ 482.3611 1.75 LPC (p-16:0) or LPC (o-16:1) [M+H]+ HTZINLFNXLXRBC-CQLBIITFSA-N [M+H]+ 480.3441 1.68 PC (28:0) [M+H]+ CITHEXJVPOWHKC-UUWRZZSWSA-N [M+H]+ 678.5109 4.25 PC (30:0) [M+H]+ RFVFQQWKPSOBED-PSXMRANNSA-N [M+H]+ _[M+Na]+ 706.5432_728.5329 4.85 PC (30:1) [M+H]+ ANKCYRKQDLQXGL-MRDDHZETSA-N [M+H]+ 704.5224 4.34 PC (31:0) [M+H]+ NPGWXTIWUUFYAB-DIPNUNPCSA-N [M+H]+ 720.5579 5.14 PC (32:0) [M+H]+ KILNVBDSWZSGLL-KXQOOQHDSA-N [M+H]+ 734.5719 5.48 PC (32:1) [M+H]+ QIBZFHLFHCIUOT-NPBIGWJUSA-N [M+H]+ 732.5557 4.9 PC (32:2) [M+H]+ GPWHCUUIQMGELX-VHQDNGOZSA-N [M+H]+ 730.5389 4.44 PC (33:0) [M+H]+ FHENRYRLCPXONH-LDLOPFEMSA-N [M+H]+ 748.5841 5.68 PC (33:1) [M+H]+ OFRWLQSOUIZELQ-VEAYGOGPSA-N? [M+H]+ _[M+Na]+ 768.5527_746.5697 5.23 PC (33:2) [M+H]+ SBNDHGBVMZMSNL-UESLNCBNSA-N [M+K]+ 744.5522 4.76 PC (34:0) [M+H]+ PZNPLUBHRSSFHT-RRHRGVEJSA-N [M+H]+ 762.6015 6.13 PC (34:1) [M+H]+ WTJKGGKOPKCXLL-VYOBOKEXSA-N [M+H]+ 760.5875 5.55 PC (34:2) [M+H]+ JLPULHDHAOZNQI-ZTIMHPMXSA-N [M+H]+ 758.5704 5.02 PC (34:3) [M+H]+ VKVSSDKCKXJFIM-AFYHZPHLSA-N [M+H]+ 756.5539 4.64 PC (34:4) [M+H]+ YWDDIWXKFJEMKF-JTZVLWBESA-N [M+H]+ 754.538 4.37 PC (35:1) [M+H]+ MFHIZGSSDZJFKD-IYEJTHTFSA-N [M+H]+ _[M+Na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a]+ 782.5700_804.5530 4.98 PC (36:4) C [M+H]+ IIZPXYDJLKNOIY-JXPKJXOSSA-N [M+Na]+ 782.5685 5.54 PC (36:5) A [M+H]+ SUZYROYNFNQALJ-MHEIZRSESA-N [M+H]+ 780.552 4.29 PC (36:5) B [M+H]+ SUZYROYNFNQALJ-MHEIZRSESA-N [M+H]+ _[M+Na]+ 780.5554_802.5366 4.58 PC (36:6) [M+H]+ SPWBDEZMKCRQSX-NGPPOSSDSA-N [M+H]+ _[M+Na]+ 778.5381_800.5198 4.24 PC (37:2) [M+H]+ MCZUABDVGPPWPM-HJTCUGKVSA-N [M+H]+ 800.6172 6.02 PC (37:4) [M+H]+ QRPUCJXFPYFTMB-FBFLODOBSA-N [M+H]+ 796.5828 5.21 PC (37:6) [M+H]+ GEINPYKZLFHHIL-HEXXMCQTSA-N [M+K]+ 792.5558 4.54 PC (38:2) [M+H]+ KXXLFCAPKGRXBT-FMJYHZMHSA-N [M+H]+ 814.6316 6.22 PC (38:3) [M+H]+ KNNHXKQRTYEWCA-HYYWERRFSA-N [M+H]+ 812.6178 5.87 PC (38:4) A [M+H]+ PSVRFUPOQYJOOZ-QNPWAGBNSA-N [M+H]+ _[M+Na]+ 810.5988_832.5826 5.61 PC (38:4) B [M+H]+ DNYKSJQVBCVGOF-LCKGXUDJSA-N [M+Na]+ 810.5981 6.16 PC (38:5) A [M+H]+ SUACBSWYGWBPFC-GPUJSUHJSA-N [M+H]+ 808.5848 5 PC (38:5) B [M+H]+ YLWBKBDNHWQEFU-YJXJLLHLSA-N [M+H]+ _[M+Na]+ 808.5858_830.5665 5.18 PC (38:6) A [M+H]+ PLZBTDKJYHXIEW-DZUXOTHRSA-N [M+H]+ _[M+Na]+ 806.5723_828.5528 4.82 PC (38:6) B [M+H]+ PLZBTDKJYHXIEW-DZUXOTHRSA-N [M+H]+ 806.5707 5.29 PC (38:6) C [M+H]+ PLZBTDKJYHXIEW-DZUXOTHRSA-N [M+H]+ _[M+Na]+ _[M+NH4]+ 844.5266_806.5711_828.5519 4.62 PC (38:7) [M+H]+ BNNUJTATKJXKJP-XCDHYEIISA-N [M+H]+ _[M+Na]+ 804.5538_826.5368 4.33 PC (39:6) [M+H]+ QMCWOGICYCFNBF-BWHZRABLSA-N [M+H]+ _[M+Na]+ 820.5848_842.5674 5.06 PC (40:5) A [M+H]+ IJTJDJOOHZVSAC-NDRUHXFFSA-N [M+H]+ _[M+Na]+ 836.6147_858.5968 5.62 PC (40:5) B [M+H]+ SFESOYFQZQJCOY-FXYWPAEZSA-N [M+H]+ 836.6148 5.82 PC (40:6) A [M+H]+ KZSXWBSDQDXESU-PPEVQBTRSA-N [M+H]+ _[M+Na]+ 834.6008_856.5823 5.21 PC (40:6) B [M+H]+ TYRTWVKQVGNGSZ-RGBTVBCDSA-N [M+H]+ 834.6012 5.43 PC (40:7) [M+H]+ BPUROMFCPFGBOT-ZEGPSQTJSA-N [M+H]+ _[M+Na]+ 832.5867_854.5673 4.87 PC (40:8) [M+H]+ SIMZOWLEIOYZJX-VRCXRDLJSA-N [M+H]+ 830.5698 4.44 PC (42:6) [M+H]+ DSVRMAGYENFTLY-GDDYDVMSSA-N [M+H]+ 862.6298 5.82 PC (o-32:0) [M+H]+ SVWBXNAUENUONE-LDLOPFEMSA-N [M+H]+ 720.5896 5.86 PC (p-32:0) or PC (o-32:1) [M+H]+ KEVGQWGZKKFGDC-MCBGMKGZSA-N [M+H]+ 718.5727 5.75 PC (p-32:1) or PC (o-32:2) [M+H]+ FZMYLOBGNYZPQO-QLSONYGBSA-N [M+H]+ 716.5587 4.95 PC (p-34:0) or PC (o-34:1) [M+H]+ QCGUXAIDEOWPBV-SNKLRXETSA-N [M+H]+ 746.6056 5.94 PC (p-34:1) or PC (o-34:2) A [M+H]+ MBRHHFWRXQYYAN-JEPFLRBFSA-N [M+K]+ 744.59 5.44 PC (p-34:1) or PC (o-34:2) B [M+H]+ KMNVIRCHUMQGHD-RCINKDPXSA-N [M+H]+ 744.5801 5.82 PC (p-34:2) or PC (o-34:3) [M+H]+ QEWRXEALGMKRGP-MZWPLUPDSA-N [M+H]+ 742.5668 5.32 PC (p-36:2) or PC (o-36:3) [M+H]+ DIHWZUCEXWUHOD-IIVNATNGSA-N [M+H]+ 770.605 5.54 PC (p-36:3) or PC (o-36:4) [M+H]+ PYVYDRMXPDZRIS-FINMKEMFSA-N [M+H]+ _[M+Na]+ 768.5864_790.5678 5.34 PC (p-36:4) or PC (o-36:5) [M+H]+ RWVKPDIHPPTVRQ-HWGQMOSASA-N [M+H]+ 766.5746 5.23 PC (p-38:3) or PC (o-38:4) [M+H]+ GWBOVQHRCURSPU-QMFAPAEZSA-N [M+H]+ 796.6117 6 PC (p-38:4) or PC (o-38:5) A [M+H]+ YPAPIRJFGNBODV-AMFPDOHCSA-N [M+H]+ _[M+Na]+ 816.5876_794.6043 5.39 PC (p-38:5) or PC (o-38:6) [M+H]+ FAKYQMLQEAQOLK-LHZZQLRFSA-N [M+H]+ _[M+Na]+ 792.5897_814.5696 5.27 PC (p-40:4) or PC (o-40:5) [M+H]+ UWNFEVACEPZILS-RNNLSGHUSA-N [M+H]+ 822.6346 6.01 PC (p-40:5) or PC (o-40:6) [M+H]+ KUHMJRMPHBRAMY-DDURNVNNSA-N [M+H]+ 820.621 5.79 PC (p-40:6) or PC (o-40:7) B [M+H]+ FMBYBTSZVHUJMV-DIVFMYBRSA-N [2M+NH4]+ 818.6049 5.65 PE (36:1) [M+H]+ JQKOHRZNEOQNJE-ZZEZOPTASA-N [M+H]+ 746.5721 6.35 PE (38:4) [M+H]+ ANRKEHNWXKCXDB-BHFWLYLHSA-N [M+H]+ 768.5575 5.77 PE (38:6) [M+H]+ LFGBKOUQHCWBQI-BZGLIJSBSA-N [M+H]+ 764.525 4.92 PE (p-36:4) or PE (o-36:5) [M+H]+ ADWDFBQPQIEGRZ-XBICFDGKSA-N [M+H]+ 724.5279 5.42 PE (p-38:5) or PE (o-38:6) [M+H]+ IQSPCSIULMCRPM-ZAJUHDLGSA-N [M+H]+ 750.5433 5.49 SM (d32:0) [M+H]+ MJAFYELZQYPMQG-MPQUPPDSSA-N [M+H]+ 677.5582 4.37 SM (d32:1) [M+H]+ KYICBZWZQPCUMO-PSALXKTOSA-N [M+H]+ _[M+Na]+ 675.5440_697.5255 4.19 SM (d33:1) [M+H]+ LQINJRUGTUOHGS-YPDYIYJKSA-N [M+H]+ 689.5582 4.48 SM (d34:0) [M+H]+ QHZIGNLCLJPLCU-QPPIDDCLSA-N [M+H]+ 705.5837 4.96 SM (d34:1) [M+H]+ RWKUXQNLWDTSLO-GWQJGLRPSA-N [M+H]+ 703.5762 4.82 SM (d34:2) [M+H]+ YLWSJLLZUHSIEA-CKSUKHGVSA-N [M+H]+ 701.5594 4.27 SM (d36:0) [M+H]+ JCELSEVNSMXGKA-IOLBBIBUSA-N [M+H]+ 733.6191 5.64 SM (d36:1) [M+H]+ LKQLRGMMMAHREN-YJFXYUILSA-N [M+H]+ _[M+Na]+ 731.6068_753.5880 5.46 SM (d36:2) [M+H]+ NBEADXWAAWCCDG-QDDWGVBQSA-N [M+H]+ _[M+Na]+ 729.5907_751.5720 4.83 SM (d38:1) [M+H]+ AADLTHQNYQJHQV-SVLGDMRNSA-N [M+H]+ _[M+Na]+ 759.6366_781.6132 6.13 SM (d38:2) [M+H]+ MDRFMTLYKHBJTF-NQYLGBTJSA-N [M+H]+ _[M+Na]+ 757.6152_779.6020 5.48 SM (d39:1) [M+H]+ YXSZOBWVQJIWNE-LUJNSPTCSA-N [M+H]+ 773.6509 6.45 SM (d40:2) A [M+H]+ FOULCGVQZYQEQM-DNXGLLHMSA-N [M+H]+ 785.6518 6.09 SM (d42:2) A [M+H]+ DACOGJMBYLZYDH-GXJPFUDISA-N [M+H]+ 813.6843 6.76 TG (46:1) [M+NH4]+ RSDIQTNCDWUNDP-VHXPQNKSSA-N [M+NH4]+ 794.7229 10 TG (48:1) [M+NH4]+ FEKLSEFRUGWUOS-DLOIZKPKSA-N [M+Na]+_[M+NH4]+ 822.7547_827.7099 10.45 TG (48:2) [M+NH4]+ RUOVJPPUXXFZPC-YZEIBMOJSA-N [M+NH4]+ 820.739 10.03 TG (49:1) [M+NH4]+ VYYGQDOPVVYUKW-UKFBYESTSA-N [M+H]+ 836.7698 10.63 TG (49:2) [M+NH4]+ QZYSUBAQYSVFNX-PSMULLBHSA-N [M+H]+ 834.7548 10.23 TG (50:1) [M+NH4]+ YHMDGPZOSGBQRH-YYSBDVFPSA-N [M+Na]+_[M+NH4]+ 850.7864_855.7414 10.86 TG (50:2) [M+NH4]+ QEZWFCZNHWUARW-XQCAQTCHSA-N [M+Na]+_[M+NH4]+ 848.7700_853.7253 10.47 TG (50:3) [M+NH4]+ UFHNZOACKFBCOM-YXKNDSBASA-N [M+NH4]+ 846.7531 10.07 TG (50:4) [M+NH4]+ PVMBAGXWHHZKFP-JMPJWMFJSA-N [M+Na]+_[M+NH4]+ 844.7389_849.6942 9.69 TG (50:6) [M+NH4]+ YVQKDEFVOZTZOA-PVNINVEQSA-N [M+Na]+_[M+NH4]+ 840.7065_845.6624 9.24 TG (51:1) [M+NH4]+ OZAXLAGNPZMZAD-BOEMPQCLSA-N [M+H]+ 864.8002 11.02 TG (51:2) [M+NH4]+ NSNSZGBCOIKUBU-SZOKBDNISA-N [M+Na]+_[M+NH4]+ 862.7821_867.7418 10.67 TG (51:3) [M+Na]+ ISSGPXMQOMAFMJ-DMGKHJLRSA-N [M+Na]+_[M+NH4]+ 860.7700_865.7253 10.34 TG (51:3) [M+NH4]+ ISSGPXMQOMAFMJ-DMGKHJLRSA-N [M+H]+ 860.7488 10.28 TG (51:4) [M+NH4]+ IIRQXNVLAXQEKB-KBEZCZBDSA-N [M+H]+ 858.7535 9.94 TG (51:5) [M+NH4]+ DYYKLAQWCNBXRJ-UNZGPCCPSA-N [M+Na]+_[M+NH4]+ 856.7372_861.6945 9.79 TG (52:1) [M+Na]+ NPCZZYKITFKRQZ-RFBIWTDZSA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 883.772_878.8168_899.7477 11.24 TG (52:2) [M+NH4]+ TXMWKTABZBAJCW-QLHBUVOUSA-N [M+Na]+_[M+NH4]+ 876.8021_881.7576 10.88 TG (52:3) [M+NH4]+ DQXQIWIQYYEGLG-MMWLGPPDSA-N [M+Na]+_[M+NH4]+ 874.7831_879.7404 10.51 TG (52:4) [M+NH4]+ WHSWXEYWNPTUPW-HNJDVRDNSA-N [M+Na]+_[M+NH4]+ 872.7716_877.7267 10.16 TG (52:5) [M+NH4]+ CQZAAIKPSLHIBC-KDJOUNIJSA-N [M+Na]+_[M+NH4]+ 870.7546_875.7101 9.8 TG (53:1) [M+NH4]+ WWJIBIGWKGFVAQ-JNSYTQKUSA-N [M+Na]+_[M+NH4]+ 892.8321_897.7871 11.4 TG (53:2) [M+Na]+ RSINITWKVQRWSZ-RFVLVDBCSA-N [M+Na]+_[M+NH4]+ 890.8079_895.7719 11.06 TG (53:3) [M+Na]+ ZNQBEJJYVJSZLM-LEDQTTRKSA-N [M+Na]+ _[M+NH4]+ 893.7565_888.8004 10.71 TG (53:4) [M+Na]+ BMSDHYZLQWTKSQ-LSJAAEOESA-N [M+Na]+ _[M+NH4]+ 891.7407_886.7836 10.36 TG (54:1) [M+NH4]+ YFFIQXNTTVSKJC-NZEOUKRFSA-N [M+Na]+_[M+NH4]+ 906.8480_911.8028 11.61 TG (54:2) [M+NH4]+ WUUWGORPQFKFQN-XDVOZUNOSA-N [M+Na]+_[M+NH4]+ 904.8322_909.7878 11.25 TG (54:3) [M+NH4]+ PHYFQTYBJUILEZ-IUPFWZBJSA-N [M+Na]+_[M+NH4]+ 902.8152_907.7731 10.9 TG (54:4) [M+NH4]+ BRLGHZXETDWABO-NOFIOOQLSA-N [M+Na]+_[M+NH4]+ 900.7983_905.7557 10.54 TG (54:5) A [M+Na]+ VVEBTVMJPTZDHO-YQFZQLSNSA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 903.7402_898.788_919.7166 10.18 TG (54:5) B [M+Na]+ VVEBTVMJPTZDHO-YQFZQLSNSA-N [M+Na]+ _[M+NH4]+ 903.741_898.7869 10.38 TG (54:5); TG(16:1/16:1/22:3); [M+Na]+ UNGUXGTVIGADJS-DQWBHAGANA-N [M+Na]+ _[M+NH4]+ 903.7411_898.7845 10.5 TG (54:6) A [M+NH4]+ CDNDFDKFZBPPFW-AXJGXPKFSA-N [M+Na]+_[M+NH4]+ 896.7702_901.7260 9.8 TG (54:6) B [M+NH4]+ CDNDFDKFZBPPFW-AXJGXPKFSA-N [M+Na]+ _[M+NH4]+ 901.7255_896.7696 10.06 TG (54:6); TG(16:0/16:0/22:6); [M+NH4]+ GNADFLWMYUNMMR-MSDLDNLYNA-N [M+Na]+_[M+NH4]+ 896.7708_901.7261 10.21 TG (56:1) [M+NH4]+ OCYFAHIHWCVZKS-FHSLLVMSSA-N [M+Na]+_[M+NH4]+ 934.8781_939.8346 11.86 TG (56:2) [M+NH4]+ PDEQUPGHMOMBFC-FYEHETCMSA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 932.8633_953.7936_937.8189 11.59 TG (56:3) [M+Na]+ QXMHHXQBBKDSSL-BAQZNRHJSA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 935.8043_951.7809_930.8465 11.26 TG (56:4) [M+NH4]+ YONCDTJKIZDSKQ-IYASBODOSA-N [M+N]+ _[M+NH4]+ 933.7894 _928.8295 10.94 TG (56:5) [M+Na]+ UHEJWASONFIROS-YPSHDQQVSA-N [M+Na]+ 931.7714 10.79 TG (56:5) [M+NH4]+ UHEJWASONFIROS-YPSHDQQVSA-N [M+Na]+_[M+NH4]+ 921.8623_926.8162 10.82 TG (56:6) [M+Na]+ SSSYEBQOMVLJEC-FYUZBIDINA-N [M+Na]+_[M+K]+ 929.7565_945.7362 10.5 TG (56:6); TG(16:0/20:1/20:5); [M+NH4]+ JTCJGTPSPBJUBS-HDDNLTMJNA-N [M+Na]+ _[M+NH4]+ 929.7567_924.8008 10.64 TG (56:7) [M+NH4]+ DODZUDCYRVWEOJ-GKZBLMSTSA-N [M+Na]+_[M+NH4]+ 922.7853_927.7407 10.04 TG (56:7); TG(16:0/18:1/22:6); [M+NH4]+ DNTWVXNMAFTXDU-KSLGMIIPNA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 922.7859_943.7246_927.7422 10.22 TG (56:8) [M+NH4]+ UBGUHMDKBGQUND-VPFWBQFRSA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 920.7697_941.7061_925.7266 9.8 TG (56:9) [M+NH4]+ HTODETRMAVZETG-GOCHBVGNSA-N [M+H]+ 918.7528 9.5 TG (57:7) [M+Na]+ APMTXEBLNQAYAR-LDRUDWDXNA-N [M+Na]+_[M+NH4]+ 936.8003_941.7568 10.41 TG (58:1) [M+NH4]+ OWZMHFAFGQCCNI-FBXRAONGSA-N [M+H]+ 962.9091 12 TG (58:10) [M+Na]+ HIFJUYSQDGCSIO-HEDNGCHZNA-N [M+Na]+ _[M+NH4]+ 949.7259_944.7693 9.69 TG (58:11); TG(16:0/20:5/22:6); [M+NH4]+ UZFNMPJCAIVEGV-RJPYUBGTNA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 942.7542_963.6858_947.71 9.34 TG (58:12) [M+Na]+ CFDIWPPOFAWCOJ-QADZOOAHNA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 945.6944_961.6703_940.738 9 TG (58:2) [M+NH4]+ NFQQJRGJJVQGAV-MEADVOAOSA-N? [M+Na]+_[M+NH4]+ 960.8937_965.8498 11.85 TG (58:3) [M+Na]+ RFMSTHTUAZETPD-JJPHLYBUSA-N [M+Na]+ 963.8345 11.6 TG (58:4) A [M+NH4]+ CCKRHDUCFMOBKX-AAINFQTBSA-N [M+Na]+_[M+NH4]+ 956.8586_961.8187 11.29 TG (58:6) [M+Na]+ GSNFRUMSEHHPSY-LCXCSEBNSA-N [M+H]+ 957.7903 10.74 TG (58:7); TG(16:0/20:1/22:6); [M+NH4]+ QDZQUSTVIIXAHE-GMVPZGRRNA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 950.8171_955.7726_971.7534 10.64 TG (58:8) [M+NH4]+ KWIGMCRWEINBIR-HUPVKWKYSA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 948.8011_969.7362_953.7574 10.24 TG (58:9) [M+NH4]+ RVXFSLZMZOFGEQ-SWIIBWKZSA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 946.7851_967.7234_951.7411 9.88 TG (60:11) [M+NH4]+ MDADRLWXQATSON-ULPPZGOQSA-N [M+Na]+_[M+NH4]+ 970.7847_975.7404 9.69 TG (60:12); TG(16:0/22:6/22:6); [M+NH4]+ VLEDHTUUVAXNOJ-QPPLYHLQNA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 968.77_989.7044_973.7257 9.51 TG (60:13); TG(16:1/22:6/22:6); [M+Na]+ ZMYDNGPFWOFXFT-ACOOXYRXNA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 971.7093_987.6841_966.7534 9.03 TG (60:2) [M+NH4]+ QPNVLDQSHXVPMG-JMYPUKFOSA-N [M+Na]+_[M+NH4]+ 988.9253_993.8821 11.99 TG (60:8) [M+Na]+ UNYGUVVZMKJAKH-VSWJEJFJNA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 981.7882_997.7656_976.832 10.65 TG (62:12) [M+Na]+ POVKTGOFOJWXMA-AUFKHNQDNA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 1001.7562_996.8_1017.7391 9.98 TG (62:13) [M+Na]+ LIWGBSUBZQSLON-JFCVYCDRNA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 999.7409_1015.7169_994.7851 9.53 TG (64:17); TG(20:5/22:6/22:6); [M+NH4]+ JSWAQOSPCMGEOW-SGSHTMPRNA-N [M+Na]+ _[M+NH4]+ _[M+K]+ 1014.7537_1035.683_1019.7092 8.58 CSH_posESI #034 [M+H]+ 896.5383 4.81 CSH_posESI #036 [M+H]+ _[M+Na]+ 858.6000_880.5823 4.97 CSH_posESI #061 [M+NH4]+ 748.5383 5.23 CSH_posESI #079 [M+H]+ 959.8771 11.6 CSH_posESI #103 [M+H]+ 766.5753 4.89 CSH_posESI #116 [M+Na]+_[M+K]+ 885.6735_901.6484 9.44 CSH_posESI #124 [M+K]+ 864.5251 5.2 CSH_posESI #192 [M+H]+ 973.8007 9.93 CSH_posESI #230 [M+H]+ 848.5383 5.08 CSH_posESI #231 [M+Na]+ 838.511 5.11 CSH_posESI #270 [M+H]+ 627.5348 4.9 CSH_posESI #275 [M+H]+ _[M+Na]+ 887.5607_909.5464 4.89 CSH_posESI #285 [M+H]+ 876.5696 5.71 CSH_posESI #288 [M+NH4]+ 577.5192 4.87 CSH_posESI #290 [M+H]+ 866.5406 5.68 CSH_posESI #293 [M+K]+ 776.5795 4.87 CSH_posESI #296 [M+H]+ 603.535 5.02 CSH_posESI #301 [2M+NH4]+ 850.5554 5.53 CSH_posESI #303 [M+H]+ 874.554 5.2 CSH_posESI #307 [M+K]+ 872.5382 4.96 CSH_posESI #308 [M+H]+ 878.5886 6.2 CSH_posESI #362 [M+H]+ 867.5455 5.58 METABOLITES_END #END