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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]3-HydroxybenzaldehydeME205686101-4.845122.037
4-HYDROXYPHENYLACETIC ACID (M+H)+4-Hydroxyphenylacetic acidME205691127-4.692152.045
ADIPIC ACID (M+H)+Adipic acidME205697196-3.576146.055
ADIPIC ACID (M+NA)+Adipic acidME205698196-3.475146.057
CITRIC ACID (M+NA)+Citric acidME205714311-1.023192.027
PIMELIC ACID (M+NA)+Pimelic acidME205793385-5.716160.076
HIPPURIC ACID (M+H)+Hippuric acidME205745464-4.842179.059
HIPPURIC ACID (M+NA)+Hippuric acidME205746464-4.843179.059
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+1-Aminocyclopropanecarboxylic acidME205675535-0.958101.047
CREATINE (M+H)+CreatineME205716586-0.679131.069
CREATININE (M+H)+CreatinineME205717588-0.675113.058
GUANINE (M+H)+GuanineME205743764-0.844151.048
HOMOGENTISIC ACID (M+H)+Homogentisic acidME205747780-2.085168.04
HYPOXANTHINE (M+H)+HypoxanthineME205749790-1.077136.039
INDOLE-3-ACETALDEHYDE (M+H)+IndoleacetaldehydeME205751800-1.717159.069
INDOLE-3-ACETIC ACID (M+H)+Indoleacetic acidME205752802-8.505175.064
INDOLE-3-ACETIC ACID (M+NA)+Indoleacetic acidME205753802-8.504175.064
PIPECOLIC ACID (M+H)+Pipecolic acidME205794849-0.92129.077
NICOTINAMIDE (M+H)+NiacinamideME205777936-1.081122.047
CHOLINE PHOSPHATE (M+H)+Choline phosphateME2057131014-0.623183.065
N-ACETYLGLYCINE (M+NA)+N-AcetylglycineME2057741097-0.911117.042
SPERMIDINE (M+H)+SpermidineME2058011102-0.518145.158
SPERMINE (M+H)+SpermineME2058021103-0.519202.216
URIC ACID (M+H)+Uric acidME2058191175-0.996168.028
HOMOVANILLIC ACID (M+H)+Homovanillic acidME2057481738-5.778182.058
ACETAMINOPHEN (TN TYLENOL) (M+H)+AcetaminophenME2056931983-3.101151.064
ACETAMINOPHEN (TN TYLENOL) (M+NA)+AcetaminophenME2056941983-3.011151.064
THEOPHYLLINE (M+H)+TheophyllineME2058132153-4.416180.065
THEOPHYLLINE (M+NA)+TheophyllineME2058142153-4.452180.065
CAFFEINE (M+H)+CaffeineME2057072519-5.953194.082
CAFFEINE (M+NA)+CaffeineME2057082519-5.95194.082
KYNURENIC ACID (M+H)+Kynurenic acidME2057593845-5189.043
OMEPRAZOLE (M+H)+OmeprazoleME2057844594-11.26345.116
SULFADIMETHOXINE (M+H)+SulfadimethoxineME2058075323-9.413310.075
SULFADIMETHOXINE (M+NA)+SulfadimethoxineME2058085323-9.412310.075
THEOBROMINE (M+H)+TheobromineME2058125429-3.482180.065
CORTISOL 21-ACETIC ACID (M+NA)+Cortisol 21-acetateME2057155744-15.586404.221
GLUCOSE (2M+NA)+GlucoseME2057365793-0.647180.062
GLUCOSE (M+NA)+GlucoseME2057375793-0.749180.063
LYSINE (M+H)+LysineME2057675962-0.51146.106
LYSINE (M+NA)+LysineME2057685962-0.544146.105
CHOLESTEROL (M+H)+[-H2O]CholesterolME2057125997-24.615386.356
INOSINE (M+H)+InosineME2057546021-1.82268.083
INOSINE (M+NA)+InosineME2057556021-1.833268.082
URIDINE (M+H)+UridineME2058206029-1.353244.069
URIDINE (M+NA)+UridineME2058216029-1.357244.07
TYROSINE (M+H)+TyrosineME2058176057-1.297181.074
TYROSINE (M+NA)+TyrosineME2058186057-1.301181.071
ADENOSINE 5'-MONOPHOSPHATE (M+H)+AMPME2056966083-0.921347.062
METHIONINE (M+H)+MethionineME2057696137-0.961149.051
ORNITHINE (M+H)+OrnithineME2057856262-0.513132.09
ASPARAGINE (M+H)+AsparagineME2057016267-0.647132.052
L-HISTIDINE (M+H)+HistidineME2057626274-0.528155.069
VALINE (M+H)+ValineME2058226287-0.864117.079
VALINE (M+NA)+ValineME2058236287-0.861117.078
TRYPTOPHAN (M+H)+TryptophanME2058156305-3.575204.09
TRYPTOPHAN (M+NA)+TryptophanME2058166305-3.568204.089
ISOLEUCINE (M+H)+IsoleucineME2057576306-1.496131.095
PANTOTHENIC ACID (M+H)+Pantothenic acidME2057916613-3.27219.111
PANTOTHENIC ACID (M+NA)+Pantothenic acidME2057926613-3.264219.111
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME2057038343-23.105390.278
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+bis(2-Ethylhexyl)phthalic acidME2057048343-23.107390.278
3-METHOXYTYROSINE (M+H)+3-MethoxytyrosineME2056889307-1.983211.085
GLYCOCHOLIC ACID (M+H)+[-H2O]Glycocholic acidME20574210140-18.817465.309
SALICYLURIC ACID (M+H)+Salicyluric acidME20579810253-6.29195.057
SALICYLURIC ACID (M+NA)+Salicyluric acidME20579910253-6.29195.054
SUBERIC ACID (M+NA)+Suberic acidME20580610457-8.347174.091
CARNITINE (M+H)+CarnitineME20571010917-0.616161.104
N-CYCLOHEXYLFORMAMIDE (M+H)+N-CyclohexylformamideME20577613017-7.985127.099
DEOXYURIDINE (M+NA)+DeoxyuridineME20572313712-1.675228.073
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+CDP-cholineME20572013804-0.665488.106
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME20570014985-24.582430.381
ACETYLCARNITINE (M+H)+CAR 2:0ME20569518230-0.902203.115
1-METHYLADENOSINE (M+H)+1-MethyladenosineME20567627476-3.022281.113
XANTHOSINE (M+H)+XanthosineME20582464959-2.312284.074
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]25-HydroxycholesterolME20568465094-22.793402.345
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME20577265249-0.896147.052
3-METHYLXANTHINE (M+H)+3-MethylxanthineME20568970639-2.477166.052
CYSTEIC ACID (M+H)+Cysteic acidME20571972886-0.639187.017
N-ACETYL-L-PHENYLALANINE (M+NA)+N-AcetylphenylalanineME20577374839-7.786207.091
GLYCEROL MYRISTATE (M+NA)+MG 14:0ME20573879050-22.192302.244
1-METHYLXANTHINE (M+H)+1-MethylxanthineME20567780220-2.481166.048
4-ACETAMINOPHEN SULFATE (M+H)+Paracetamol sulfateME20569083939-2.368231.02
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+p-AcetamidophenylglucuronideME20578683944-2.258327.093
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+p-AcetamidophenylglucuronideME20578783944-2.255327.096
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+p-AcetamidophenylglucuronideME20578883944-2.257327.096
GALACTURONIC ACID (M+NA)+[-H2O]Galacturonic acidME20573584740-0.736194.043
PROPIONYLCARNITINE (*) (M+H)+CAR 3:0ME205795107738-1.598217.131
IBUPROFEN (M+NA)+IbuprofenME205750114864-18.991206.131
EPIBRASSINOLIDE [ISTD] (M+H)+24-epi-BrassinolideME205733115196-19.979480.346
EPIBRASSINOLIDE [ISTD] (M+NA)+24-epi-BrassinolideME205734115196-19.978480.346
OCTANOYLCARNITINE (*) (M+H)+CAR 8:0ME205778123701-11.598287.211
DESLORATADINE (M+H)+DesloratadineME205725124087-10.005310.125
KYNURENINE (M+H)+KynurenineME205760161166-2.163208.085
KYNURENINE (M+NA)+KynurenineME205761161166-2.161208.084
ISO-BUTYRYLCARNITINE (*) (M+H)+CAR 3:0;2MeME205756168379-2.775231.147
LAUROYLCARNITINE (M+H)+CAR 12:0ME205764168381-17.79343.273
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME205758169235-4.511245.163
BUTYRYLCARNITINE (*) (M+H)+CAR 4:0ME205705213144-2.867231.147
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME205692439176-4.483297.09
CARNOSINE (M+NA)+CarnosineME205711439224-0.649226.105
RAFFINOSE (M+NA)+RaffinoseME205796439242-0.66504.16
CYSTATHIONINE (M+H)+CystathionineME205718439258-0.634222.066
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME205800439285-0.67257.101
DESMOSTEROL (M+H)+[-H2O]DesmosterolME205726439577-24.238384.34
TAUROLITHOCHOLIC ACID (M+H)+Taurolithocholic acidME205809439763-21.745483.312
3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+Hydroxyphenyllactic acidME205685440177-3.836182.058
DEPHOSPHO-COA (M+H)+3'-Dephospho-CoAME205724444485-3.584687.162
N-ACETYLNEURAMINIC ACID (M+H)+N-Acetylneuraminic acidME205775444885-0.705309.109
OLEIC ACID (M+H)+Oleic acidME205780445639-22.537282.255
OLEIC ACID (M+NA)+Oleic acidME205781445639-22.536282.256
ZEATIN [ISTD] (M+H)+trans-ZeatinME205825449093-3.87219.113
16:0 LYSO PC (M+H)+LPC 16:0ME205678460602-22.266495.334
16:0 LYSO PC (M+NA)+LPC 16:0ME205679460602-22.301495.334
RIBOFLAVIN (M+H)+RiboflavinME205797493570-7.687376.141
ELAIDIC ACID (M+H)+Elaidic acidME205732637517-22.94282.256
SPHINGANINE (M+H)+SphinganineME205803644260-20.7301.297
2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+2-Hydroxy-3-methylbutyric acidME205682853180-3.418118.063
HEXANOYLCARNITINE (*) M+CAR 6:0ME2057443246939-6.949260.187
MYRISTOYLCARNITINE (*) (M+H)+CAR 14:0ME2057713413344-19.738371.304
SPHINGOSINE (M+H)+SphingosineME2058045280335-20.268299.283
BILIVERDIN (M+H)+BiliverdinME2057025280353-18.493582.25
LEUKOTRIENE B4 (M+H)+LTB4ME2057655280492-20.804336.227
ALPHA-LINOLENIC ACID (M+NA)+alpha-Linolenic acidME2056995280934-22.851278.223
METHYL JASMONATE (M+NA)+Methyl jasmonateME2057705281929-16.089224.141
CALCIDIOL (M+H)+[-H2O]25-Hydroxyvitamin D3ME2057095283731-22.591400.331
OLEOYL-GLYCEROL (M+NA)+MG 18:1ME2057825319879-22.727356.293
OLEOYLCARNITINE (*) (M+H)+CAR 18:1ME2057836441392-21.389425.352
LINOLEOYLCARNITINE (*) (M+H)+CAR 18:2ME2057666450015-20.84423.336
18:0 LYSO-PE (M+H)+LPE 18:0ME2056819547068-22.66481.318
GLYCOCHENODEOXYCHOLIC ACID (M+H)+Glycochenodeoxycholic acidME2057399548796-20.461449.312
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]Glycochenodeoxycholic acidME2057409548796-20.46449.315
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+Glycochenodeoxycholic acidME2057419548796-20.46449.315
PALMITOYLCARNITINE (M+H)+CAR 16:0ME20579011953816-21.174399.335
DECANOYLCARNITINE (*) (M+H)+CAR 10:0ME20572111953821-15.191315.242
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME20576316217285-3.576206.085
16:0-18:0 PC (M+H)+PC 16:0_18:0ME20568018631368-25.533761.595
TETRADECENOYLCARNITINE (*) M+CAR 14:1ME20581122833575-18.822370.297
24:0 SM (D18:1/24:0) (M+NA)+SM 18:1;O2/24:0ME20568344260127-27.813814.693
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+-ME20570646891735-23.258643.498
STEAROYLCARNITINE (*) (M+H)+CAR 18:0ME20580552922056-21.735427.367
EICOSANOYLCARNITINE (*) (M+H)+CAR 20:0ME20573053477833-22.043455.396
DODECENOYLCARNITINE (*) II M+CAR 12:1ME20572753481671-16.733342.264
DODECENOYLCARNITINE (*) M+CAR 12:1ME20572853481671-16.438342.265
TETRADECADIENOYLCARNITINE (*) M+CAR 14:2ME20581053481681-17.712368.281
DECENOYLCARNITINE (*) (M+H)+CAR 10:1ME20572257357170-13.843313.226
OCTENOYLCARNITINE (*) M+CAR 8:1ME20577971464472-9.472286.203
EICOSENOYLCARNITINE (*) (M+H)+CAR 20:1ME20573171464507-21.821453.379
EICOSADIENOYLCARNITINE (*) (M+H)+CAR 20:2ME20572971464509-21.579451.363
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+CAR 12:0;OHME20568771464535-16.101359.268
PALMITOLEYLCARNITINE (*) M+CAR 16:1ME20578971464547-20.314398.327


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
4-METHYL-2-OXOPENTANOIC ACID (M-H)-KetoleucineME20584270-4.836130.0633
ADIPIC ACID (M-H)-Adipic acidME205846196-3.593146.0581
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME205874227-5.33138.0445
CITRIC ACID (M-H)-Citric acidME205852311-1.021192.0271
SALICYLATE #2 (M-H)-Salicylic acidME205894338-8.295138.0316
HIPPURIC ACID (M-H)-Hippuric acidME205868464-4.826179.0583
METHYLMALONIC ACID (M-H)-Methylmalonic acidME205877487-1.497118.0263
OXALOACETIC ACID (M-H)-[-H2O]Oxaloacetic acidME205884970-0.534132.0034
PALMITIC ACID (M-H)-Palmitic acidME205886985-22.842256.2413
PHENYLPYRUVIC ACID (M-H)-Phenylpyruvic acidME205890997-5.483164.0468
PYRUVIC ACID (M-H)-Pyruvic acidME2058911060-0.7388.0161
SUCCINIC ACID (M-H)-Succinic acidME2058971110-1.31118.0263
URIC ACID (M-H)-Uric acidME2059061175-0.95168.028
XANTHINE (M-H)-XanthineME2059091188-1.27152.0331
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-3-Hydroxymethylglutaric acidME2058391662-1.523162.0521
ACETAMINOPHEN (TN TYLENOL) (M-H)-AcetaminophenME2058451983-3.072151.0629
THEOPHYLLINE (M-H)-TheophyllineME2059002153-4.438180.0646
AZELAIC ACID (M-H)-Azelaic acidME2058482266-10.82188.1048
STEARIC ACID (M-H)-Stearic acidME2058965281-23.187284.2726
SULFADIMETHOXINE (M-H)-SulfadimethoxineME2058995323-9.376310.0742
CORTISOL (M+CL)-CortisolME2058535754-13.924362.2108
GLUCOSE (M+CL)-GlucoseME2058665793-0.645180.0642
THYROXINE (M-H)-ThyroxineME2059015819-16.238776.686
SUCROSE (M+CL)-SucroseME2058985988-0.649342.1182
URIDINE (M+CL)-UridineME2059076029-1.329244.0704
URIDINE (M-H)-UridineME2059086029-1.352244.0699
TYROSINE (M-H)-TyrosineME2059056057-1.29181.0727
PHENYLALANINE (M-H)-PhenylalanineME2058896140-2.468165.0786
TRYPTOPHAN (2M-H)-TryptophanME2059036305-3.565204.088
TRYPTOPHAN (M-H)-TryptophanME2059046305-3.565204.0901
PANTOTHENIC ACID (M-H)-Pantothenic acidME2058886613-3.295219.1108
4-PYRIDOXIC ACID (M-H)-4-Pyridoxic acidME2058436723-1.862183.0531
GLYCOCHOLIC ACID (M-H)-Glycocholic acidME20586710140-18.994465.3101
SALICYLURIC ACID (M-H)-Salicyluric acidME20589510253-6.266195.053
GLUCONIC ACID (M-H)-Gluconic acidME20586510690-0.652196.0581
MYRISTIC ACID (M-H)-Myristic acidME20587811005-22.454228.2091
2-HYDROXYBUTYRIC ACID (M-H)-2-Hydroxybutyric acidME20583511266-1.765104.0476
DEHYDROEPIANDROSTERONE SULFATE (M-H)-Dehydroepiandrosterone sulfateME20585512594-15.47368.1673
DEOXYURIDINE (M+CL)-DeoxyuridineME20586013712-1.55228.0743
DEOXYADENOSINE (M+CL)-DeoxyadenosineME20585613730-1.783251.1011
1-METHYLADENOSINE (M+CL)-1-MethyladenosineME20582627476-2.997281.1122
XANTHOSINE (M-H)-XanthosineME20591064959-2.394284.077
1-METHYLURIC ACID (2M-H)-1-Methyluric acidME20582769726-2.192182.0452
1-METHYLURIC ACID (M-H)-1-Methyluric acidME20582869726-2.184182.0436
3-METHYLXANTHINE (M-H)-3-MethylxanthineME20584170639-2.429166.0499
1-METHYLXANTHINE (M-H)-1-MethylxanthineME20582980220-2.493166.0497
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-p-AcetamidophenylglucuronideME20588583944-2.245327.0965
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME20588188064-1.489131.0578
RIBITOL (M+CL)-RibitolME20589294154-0.638152.0667
IBUPROFEN (M-H)-IbuprofenME205870114864-18.951206.1307
EPIBRASSINOLIDE [ISTD] (M+CL)-24-epi-BrassinolideME205863115196-19.934480.3466
5-HYDROXY OMEPRAZOLE (M-H)-5-HydroxyomeprazoleME205844119560-12.32361.1108
CHOLIC ACID (M-H)-Cholic acidME205849221493-20.486408.2881
DEOXYCHOLIC ACID (2M-H)-Deoxycholic acidME205857222528-21.749392.2912
DEOXYCHOLIC ACID (M+CL)-Deoxycholic acidME205858222528-21.752392.2934
DEOXYCHOLIC ACID (M-H)-Deoxycholic acidME205859222528-21.753392.2939
MALIC ACID (M-H)-Malic acidME205876222656-0.802134.0208
CORTISONE (M+CL)-CortisoneME205854222786-13.503360.1946
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-S-AdenosylhomocysteineME205893439155-1.49384.1183
2-DEOXY-D-GLUCOSE (M+CL)-2-Deoxy-glucoseME205833439268-0.692164.0691
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-Hydroxyphenyllactic acidME205838440177-3.822182.0576
3-METHYL-2-OXOPENTANOIC ACID (M-H)-3-Methyl-2-oxovaleric acidME205840440877-4.432130.0633
CITRAMALIC ACID (M-H)-Citramalic acidME205851441696-1.401148.037
TRANS-ACONITIC ACID (M-H)-trans-Aconitic acidME205902444212-1.198174.0163
ARACHIDONIC ACID (M-H)-Arachidonic acidME205847444899-22.705304.2417
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-PE 16:0/16:0ME205861445468-24.649691.5161
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME205862445580-22.698328.242
PALMITOLEIC ACID (M-H)-Palmitoleic acidME205887445638-22.581254.2253
OLEIC ACID (M-H)-Oleic acidME205883445639-22.922282.2572
N-ACETYL-D-GLUCOSAMINE (M+CL)-N-AcetylglucosamineME205880446101-0.649221.0918
ZEATIN [ISTD] (M+CL)-trans-ZeatinME205911449093-3.839219.1127
ZEATIN [ISTD] (M-H)-trans-ZeatinME205912449093-3.839219.1123
16:0 LYSO PC (M+CL)-LPC 16:0ME205830460602-22.225495.3354
2-METHYLMALEIC ACID (M-H)-Citraconic acidME205836643798-1.845130.0267
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME205834853180-3.497118.063
GALACTARIC ACID (M-H)-Galactaric acidME2058643037582-0.793210.0373
LINOLEIC ACID (M-H)-Linoleic acidME2058755280450-22.719280.2416
MYRISTOLEIC ACID (M-H)-Myristoleic acidME2058795281119-22.073226.1934
NERVONIC ACID (M-H)-Nervonic acidME2058825281120-24.203366.3512
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2058505282768-23.265310.2879
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME2058695283820-22.862392.2969
ISOCITRIC ACID (M-H)-Isocitric acidME2058725318532-0.771192.0266
18:0 LYSO-PE (M-H)-LPE 18:0ME2058329547068-22.659481.3198
IBUPROFEN CARBOXYLIC ACID (M-H)--ME20587110444113-13.084236.1052
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME20587316217285-3.565206.0845
16:0-18:0 PC (M+CL)-PC 16:0_18:0ME20583118631368-25.469761.6043
24:0 SM (D18:1/24:0) (M+CL)-SM 18:1;O2/24:0ME20583744260127-27.832814.6935


Analysis: C18 NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
FFA(18:0)Stearic acidME2059225281---
FFA(22:0)Behenic acidME2059298215---
FFA(20:0)Arachidic acidME20592510467---
FFA(24:0)Lignoceric acidME20593311197---
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.84Cer 18:1;O2/16:0ME2059395283564-6.84-
N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.44Cer 18:1;O2/18:0ME2059405283565-7.44-
N-(docosanoyl)-sphing-4-enine; [M-H]-@8.46Cer 18:1;O2/22:0ME2059385283567-8.46-
N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.47Cer 18:1;O2/24:1ME2059375283568-8.47-
N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.92Cer 18:1;O2/24:0ME2059425283571-8.92-
N-(octadecanoyl)-sphinganine; [M-H]-@7.61Cer 18:0;O2/18:0ME2059415283573-7.61-
FFA(24:3)Tetracosatrienoic acidME20593652921854---
lysoPE 17:0; [M-H]-@2.05LPE 17:0ME20603052925149-2.05-
CerP 32:1; [M-H]-@5.13CerP 32:1;O2ME205918--5.13-
CerP 34:1; [M-H]-@5.84CerP 34:1;O2ME205919--5.84-
CerP 34:2; [M-H]-@5.34CerP 34:2;O2ME205920--5.34-
CL 72:5; [M-2H](2-)@6.24CL 72:5ME205913--6.24-
CL 74:5; [M-2H](2-)@6.55CL 74:5ME205914--6.55-
CL 74:7; [M-2H](2-)@6.09CL 74:7ME205915--6.09-
CL 78:5; [M-2H](2-)@6.45CL 78:5ME205916--6.45-
CL 82:15; [M-2H](2-)@5.91CL 82:15ME205917--5.91-
FFA(16:0)Palmitic acidME205921----
FFA(18:1)Octadecenoic acidME205923----
FFA(18:2)Octadecadienoic acidME205924----
FFA(20:1)Heneicosenoic acidME205926----
FFA(20:2)Eicosadienoic acidME205927----
FFA(20:4) Arachidonic acidArachidonic acidME205928----
FFA(22:1)Docosenoic acidME205930----
FFA(22:2)Docosadienoic acidME205931----
FFA(22:3)Docosatrienoic acidME205932----
FFA(24:1)Tetracosenoic acidME205934----
FFA(24:2)Tetracosadienoic acidME205935----
lysoPE 16:0; [M-H]-@1.65LPE 16:0ME206029--1.65-
lysoPE 18:0; [M-H]-@2.44LPE 18:0ME206031--2.44-
lysoPE 18:1; [M-H]-@1.83LPE 18:1ME206032--1.83-
lysoPE 18:2; [M-H]-@1.37LPE 18:2ME206033--1.37-
lysoPE 20:3; [M-H]-@1.63LPE 20:3ME206034--1.63-
lysoPE 20:4; [M-H]-@1.34LPE 20:4ME206035--1.34-
lysoPE 22:5; [M-H]-@1.54LPE 22:5ME206036--1.54-
lysoPE 22:6; [M-H]-@1.30LPE 22:6ME206037--1.3-
PA 34:1; [M-H]-@6.72PA 34:1ME205943--6.72-
PA 34:2; [M-H]-@6.28PA 34:2ME205944--6.28-
PA 36:4; [M-H]-@6.24PA 36:4ME205945--6.24-
PC 28:0; [M-Ac-H]-@5.28PC 28:0ME205946--5.28-
PC 30:2; [M-Ac-H]-@4.92PC 30:2ME205947--4.92-
PC 32:2; [M-Ac-H]-@5.61PC 32:2ME205948--5.61-
PC 32:3; [M-Ac-H]-@5.18PC 32:3ME205949--5.18-
PC 33:1; [M-Ac-H]-@6.46PC 33:1ME205950--6.46-
PC 33:2; [M-Ac-H]-@6.00PC 33:2ME205951--6-
PC 34:3; [M-Ac-H]-@5.81PC 34:3ME205952--5.81-
PC 34:4; [M-Ac-H]-@5.54PC 34:4ME205953--5.54-
PC 35:1; [M-Ac-H]-@7.09PC 35:1ME205954--7.09-
PC 35:2; [M-Ac-H]-@6.58PC 35:2ME205955--6.58-
PC 35:3; [M-Ac-H]-@6.12PC 35:3ME205956--6.12-
PC 35:4; [M-Ac-H]-@5.94PC 35:4ME205957--5.94-
PC 36:5; [M-Ac-H]-@5.70PC 36:5ME205958--5.7-
PC 37:2; [M-Ac-H]-@7.24PC 37:2ME205959--7.24-
PC 37:3; [M-Ac-H]-@6.77PC 37:3ME205960--6.77-
PC 37:4; [M-Ac-H]-@6.53PC 37:4ME205961--6.53-
PC 37:5; [M-Ac-H]-@6.06PC 37:5ME205962--6.06-
PC 37:6; [M-Ac-H]-@5.80PC 37:6ME205963--5.8-
PC 38:2; [M-Ac-H]-@7.51PC 38:2ME205964--7.51-
PC 39:5; [M-Ac-H]-@6.66PC 39:5ME205965--6.66-
PC 39:6; [M-Ac-H]-@6.46PC 39:6ME205966--6.46-
PC 40:4; [M-Ac-H]-@7.33PC 40:4ME205967--7.33-
PC 40:5; [M-Ac-H]-@7.06PC 40:5ME205968--7.06-
PC 40:6; [M-Ac-H]-@6.69PC 40:6ME205969--6.69-
PC 40:8; [M-Ac-H]-@5.80PC 40:8ME205970--5.8-
PC 40:9; [M-Ac-H]-@5.38PC 40:9ME205971--5.38-
PC 42:10; [M-Ac-H]-@5.75PC 42:10ME205972--5.75-
PE 32:0; [M-H]-@6.75PE 32:0ME205973--6.75-
PE 32:1; [M-H]-@6.24PE 32:1ME205974--6.24-
PE 33:1; [M-H]-@6.53PE 33:1ME205975--6.53-
PE 33:2; [M-H]-@6.06PE 33:2ME205976--6.06-
PE 34:1; [M-H]-@6.86PE 34:1ME205977--6.86-
PE 34:2; [M-H]-@6.42PE 34:2ME205978--6.42-
PE 34:3; [M-H]-@5.95PE 34:3ME205979--5.95-
PE 35:1; [M-H]-@7.12PE 35:1ME205980--7.12-
PE 35:2; [M-H]-@6.68PE 35:2ME205981--6.68-
PE 35:4; [M-H]-@6.06PE 35:4ME205982--6.06-
PE 36:0; [M-H]-@7.86PE 36:0ME205983--7.86-
PE 36:1; [M-H]-@7.44PE 36:1ME205984--7.44-
PE 36:2; [M-H]-@6.99PE 36:2ME205985--6.99-
PE 36:3; [M-H]-@6.54PE 36:3ME205986--6.54-
PE 36:4; [M-H]-@6.22PE 36:4ME205987--6.22-
PE 36:5; [M-H]-@5.96PE 36:5ME205988--5.96-
PE 36:6; [M-H]-@5.61PE 36:6ME205989--5.61-
PE 37:2; [M-H]-@6.45PE 37:2ME205990--6.45-
PE 37:3; [M-H]-@6.92PE 37:3ME205991--6.92-
PE 37:4; [M-H]-@6.65PE 37:4ME205992--6.65-
PE 37:5; [M-H]-@6.19PE 37:5ME205993--6.19-
PE 37:6; [M-H]-@5.97PE 37:6ME205994--5.97-
PE 38:1; [M-H]-@7.35PE 38:1ME205995--7.35-
PE 38:2; [M-H]-@6.86PE 38:2ME205996--6.86-
PE 38:3; [M-H]-@6.49PE 38:3ME205997--6.49-
PE 38:5; [M-H]-@6.51PE 38:5ME205998--6.51-
PE 38:6; [M-H]-@6.12PE 38:6ME205999--6.12-
PE 38:7; [M-H]-@5.81PE 38:7ME206000--5.81-
PE 39:6; [M-H]-@6.56PE 39:6ME206001--6.56-
PE 40:3; [M-H]-@7.12PE 40:3ME206002--7.12-
PE 40:4; [M-H]-@7.42PE 40:4ME206003--7.42-
PE 40:5; [M-H]-@7.12PE 40:5ME206004--7.12-
PE 40:6; [M-H]-@6.89PE 40:6ME206005--6.89-
PE 40:7; [M-H]-@6.38PE 40:7ME206006--6.38-
PE 40:8; [M-H]-@5.99PE 40:8ME206007--5.99-
PG 32:0; [M-H]-@5.80PG 32:0ME206008--5.8-
PG 33:0; [M-H]-@6.09PG 33:0ME206009--6.09-
PG 33:1; [M-H]-@6.55PG 33:1ME206010--6.55-
PG 34:2; [M-H]-@5.50PG 34:2ME206011--5.5-
PG 36:0; [M-H]-@6.90PG 36:0ME206012--6.9-
PG 36:1; [M-H]-@6.44PG 36:1ME206013--6.44-
PG 36:2; [M-H]-@5.97PG 36:2ME206014--5.97-
PG 36:3; [M-H]-@5.33PG 36:3ME206015--5.33-
PG 38:4; [M-H]-@6.09PG 38:4ME206016--6.09-
PI 34:1; [M-H]-@5.74PI 34:1ME206017--5.74-
PI 34:2; [M-H]-@5.28PI 34:2ME206018--5.28-
PI 36:1; [M-H]-@6.34PI 36:1ME206019--6.34-
PI 36:2; [M-H]-@5.95PI 36:2ME206020--5.95-
PI 36:3; [M-H]-@5.41PI 36:3ME206021--5.41-
PI 36:4; [M-H]-@5.28PI 36:4ME206022--5.28-
PI 38:3; [M-H]-@6.13PI 38:3ME206023--6.13-
PI 38:4; [M-H]-@5.88PI 38:4ME206024--5.88-
PI 38:5; [M-H]-@5.35PI 38:5ME206025--5.35-
PI 40:5; [M-H]-@5.99PI 40:5ME206026--5.99-
PI 40:6; [M-H]-@5.84PI 40:6ME206027--5.84-
plasmenyl-PE 32:1; [M-H]-@6.58PE P-32:1ME206038--6.58-
plasmenyl-PE 34:0; [M-H]-@7.23PE P-34:0ME206039--7.23-
plasmenyl-PE 34:1; [M-H]-@7.16PE P-34:1ME206040--7.16-
plasmenyl-PE 34:2; [M-H]-@6.71PE P-34:2ME206041--6.71-
plasmenyl-PE 34:3; [M-H]-@6.33PE P-34:3ME206042--6.33-
plasmenyl-PE 36:1; [M-H]-@7.73PE P-36:1ME206043--7.73-
plasmenyl-PE 36:2; [M-H]-@7.33PE P-36:2ME206044--7.33-
plasmenyl-PE 36:3; [M-H]-@6.90PE P-36:3ME206045--6.9-
plasmenyl-PE 36:4; [M-H]-@6.65PE P-36:4ME206046--6.65-
plasmenyl-PE 36:5; [M-H]-@6.28PE P-36:5ME206047--6.28-
plasmenyl-PE 38:1; [M-H]-@8.25PE P-38:1ME206048--8.25-
plasmenyl-PE 38:2; [M-H]-@7.83PE P-38:2ME206049--7.83-
plasmenyl-PE 38:3; [M-H]-@7.53PE P-38:3ME206050--7.53-
plasmenyl-PE 38:4; [M-H]-@7.24PE P-38:4ME206051--7.24-
plasmenyl-PE 38:5; [M-H]-@6.74PE P-38:5ME206052--6.74-
plasmenyl-PE 38:6; [M-H]-@6.52PE P-38:6ME206053--6.52-
plasmenyl-PE 40:3; [M-H]-@8.06PE P-40:3ME206054--8.06-
plasmenyl-PE 40:4; [M-H]-@7.76PE P-40:4ME206055--7.76-
plasmenyl-PE 40:5; [M-H]-@7.37PE P-40:5ME206056--7.37-
plasmenyl-PE 40:6; [M-H]-@7.17PE P-40:6ME206057--7.17-
plasmenyl-PE 42:5; [M-H]-@7.88PE P-42:5ME206058--7.88-
plasmenyl-PE 42:6; [M-H]-@7.75PE P-42:6ME206059--7.75-
PS 38:4; [M-H]-@6.00PS 38:4ME206028--6-


Analysis: C18 POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
MG 18:0; [M+NH4]+@3.49MG 18:0ME20610724699-3.49-
MG 17:0; [M+Li]+@3.18MG 17:0ME206106107036-3.18-
CE(18:0); [M+NH4]+@11.27CE 18:0ME206063118246-11.27-
CE(16:0); [M+NH4]+@10.91CE 16:0ME206060246520-10.91-
CE(18:1); [M+NH4]+@10.86CE 18:1ME2060645283632-10.86-
CE(18:2); [M+NH4]+@10.73CE 18:2ME2060655287939-10.73-
CE(18:3); [M+NH4]+@10.44CE 18:3ME2060666436907-10.44-
CE(20:4); [M+NH4]+@10.49CE 20:4ME2060686479222-10.49-
SM 34:0; [M+Na]+@6.02SM 34:0;O2ME2061689939965-6.02-
CE(20:5); [M+NH4]+@10.33CE 20:5ME20606910372299-10.33-
lysoPC 22:6; [M+H]+@1.27LPC 22:6ME20630810415542-1.27-
SM 32:1; [M]+@5.09SM 32:1;O2ME20616311433862-5.09-
lysoPC 20:5; [M+H]+@1.03LPC 20:5ME20630411757087-1.03-
CE(20:3); [M+NH4]+@10.71CE 20:3ME20606714274976-10.71-
CE(22:6); [M+NH4]+@10.43CE 22:6ME20607214274978-10.43-
CE(22:4); [M+NH4]+@10.80CE 22:4ME20607016061341-10.8-
lysoPC 15:0; [M+H]+@1.25LPC 15:0ME20629024779458-1.25-
lysoPC 19:0; [M+H]+@2.87LPC 19:0ME20629824779472-2.87-
lysoPC 20:0; [M+H]+@3.30LPC 20:0ME20629924779473-3.3-
lysoPC 22:0; [M+H]+@4.26LPC 22:0ME20630524779479-4.26-
lysoPC 24:0; [M+H]+@5.14LPC 24:0ME20630924779481-5.14-
CE(17:1); [M+NH4]+@10.78CE 17:1ME20606224779603-10.78-
CE(22:5); [M+NH4]+@10.64CE 22:5ME20607142608400-10.64-
SM 38:0; [M]+@5.82SM 38:0;O2ME20617744260131-5.82-
SM 42:1; [M]+@8.21SM 42:1;O2ME20618844260133-8.21-
SM 32:0; [M]+@5.44SM 32:0;O2ME20616244260138-5.44-
SM 36:1; [M]+@6.43SM 36:1;O2ME20617344260139-6.43-
SM 30:0; [M]+@4.65SM 30:0;O2ME20615946891775-4.65-
lysoPC 22:4; [M+H]+@1.77LPC 22:4ME20630652924039-1.77-
lysoPC 20:2; [M+H]+@1.93LPC 20:2ME20630152924053-1.93-
SM 33:1; [M]+@5.48SM 33:1;O2ME20616652931139-5.48-
lysoPC 24:1; [M+H]+@4.31LPC 24:1ME20631053480477-4.31-
CE(16:1); [M+NH4]+@10.62CE 16:1ME206061--10.62-
DG 30:0; [M+NH4]+@7.34DG 30:0ME206073--7.34-
DG 30:1; [M+NH4]+@6.87DG 30:1ME206074--6.87-
DG 30:2; [M+NH4]+@6.42DG 30:2ME206075--6.42-
DG 31:1; [M+NH4]+@7.15DG 31:1ME206076--7.15-
DG 32:0; [M+NH4]+@7.88DG 32:0ME206077--7.88-
DG 32:1; [M+NH4]+@7.45DG 32:1ME206078--7.45-
DG 32:2; [M+NH4]+@7.01DG 32:2ME206079--7.01-
DG 33:0; [M+NH4]+@8.13DG 33:0ME206080--8.13-
DG 33:1; [M+NH4]+@7.67DG 33:1ME206081--7.67-
DG 34:0; [M+NH4]+@8.38DG 34:0ME206082--8.38-
DG 34:2; [M+NH4]+@7.52DG 34:2ME206083--7.52-
DG 34:3; [M+NH4]+@7.14DG 34:3ME206084--7.14-
DG 34:4; [M+NH4]+@6.86DG 34:4ME206085--6.86-
DG 34:5; [M+NH4]+@6.39DG 34:5ME206086--6.39-
DG 35:1; [M+NH4]+@8.17DG 35:1ME206087--8.17-
DG 35:2; [M+NH4]+@7.82DG 35:2ME206088--7.82-
DG 35:3; [M+NH4]+@7.40DG 35:3ME206089--7.4-
DG 36:0; [M+NH4]+@8.83DG 36:0ME206090--8.83-
DG 36:1; [M+NH4]+@8.43DG 36:1ME206091--8.43-
DG 36:2; [M+NH4]+@8.06DG 36:2ME206092--8.06-
DG 36:3; [M+NH4]+@7.64DG 36:3ME206093--7.64-
DG 36:4; [M+NH4]+@7.31DG 36:4ME206094--7.31-
DG 36:5; [M+NH4]+@6.97DG 36:5ME206095--6.97-
DG 38:1; [M+NH4]+@8.58DG 38:1ME206096--8.58-
DG 38:2; [M+NH4]+@8.52DG 38:2ME206097--8.52-
DG 38:4; [M+NH4]+@7.87DG 38:4ME206098--7.87-
DG 38:5; [M+NH4]+@7.57DG 38:5ME206099--7.57-
DG 38:6; [M+NH4]+@7.22DG 38:6ME206100--7.22-
DG 40:0; [M+NH4]+@9.52DG 40:0ME206101--9.52-
DG 40:5; [M+NH4]+@8.04DG 40:5ME206102--8.04-
DG 40:6; [M+NH4]+@7.64DG 40:6ME206103--7.64-
DG 40:7; [M+NH4]+@7.49DG 40:7ME206104--7.49-
DG 40:8; [M+NH4]+@7.12DG 40:8ME206105--7.12-
lysoPC 14:0; [M+H]+@1.07LPC 14:0ME206289--1.07-
lysoPC 16:0; [M+H]+@1.62LPC 16:0ME206291--1.62-
lysoPC 16:1; [M+H]+@1.22LPC 16:1ME206292--1.22-
lysoPC 17:1; [M+H]+@1.41LPC 17:1ME206293--1.41-
lysoPC 18:0; [M+H]+@2.41LPC 18:0ME206294--2.41-
lysoPC 18:1; [M+H]+@1.78LPC 18:1ME206295--1.78-
lysoPC 18:2; [M+H]+@1.37LPC 18:2ME206296--1.37-
lysoPC 18:3; [M+H]+@1.10LPC 18:3ME206297--1.1-
lysoPC 20:1; [M+H]+@2.56LPC 20:1ME206300--2.56-
lysoPC 20:3; [M+H]+@1.53LPC 20:3ME206302--1.53-
lysoPC 20:4; [M+H]+@1.37LPC 20:4ME206303--1.37-
lysoPC 22:5; [M+H]+@1.50LPC 22:5ME206307--1.5-
lysoPC 26:0; [M+H]+@5.96LPC 26:0ME206311--5.96-
MG 18:1; [M+NH4]+@2.95MG 18:1ME206108--2.95-
PC 28:1; [M+H]+@4.65PC 28:1ME206109--4.65-
PC 29:0; [M+H]+@5.61PC 29:0ME206110--5.61-
PC 30:0; [M+Na]+@6.00PC 30:0ME206111--6-
PC 30:1; [M+H]+@5.47PC 30:1ME206112--5.47-
PC 30:3; [M+H]+@5.27PC 30:3ME206113--5.27-
PC 32:0; [M+H]+@6.58PC 32:0ME206114--6.58-
PC 32:1; [M+H]+@6.06PC 32:1ME206115--6.06-
PC 33:3; [M+H]+@5.51PC 33:3ME206116--5.51-
PC 34:1; [M+H]+@6.65PC 34:1ME206117--6.65-
PC 34:2; [M+H]+@6.22PC 34:2ME206118--6.22-
PC 34:5; [M+H]+@5.16PC 34:5ME206119--5.16-
PC 35:5; [M+H]+@5.64PC 35:5ME206120--5.64-
PC 36:1; [M+H]+@7.29PC 36:1ME206121--7.29-
PC 36:2; [M+H]+@6.84PC 36:2ME206122--6.84-
PC 36:3; [M+H]+@6.41PC 36:3ME206123--6.41-
PC 36:4; [M+H]+@6.10PC 36:4ME206124--6.1-
PC 36:6; [M+H]+@5.58PC 36:6ME206125--5.58-
PC 37:1; [M+H]+@7.62PC 37:1ME206126--7.62-
PC 38:3; [M+H]+@7.07PC 38:3ME206127--7.07-
PC 38:4; [M+H]+@6.85PC 38:4ME206128--6.85-
PC 38:5; [M+H]+@6.33PC 38:5ME206129--6.33-
PC 38:6; [M+H]+@6.13PC 38:6ME206130--6.13-
PC 38:7; [M+H]+@5.53PC 38:7ME206131--5.53-
PC 38:9; [M+H]+@5.48PC 38:9ME206132--5.48-
PC 39:0; [M+Na]+@8.23PC 39:0ME206133--8.23-
PC 39:3; [M+H]+@7.32PC 39:3ME206134--7.32-
PC 39:4; [M+H]+@6.87PC 39:4ME206135--6.87-
PC 39:7; [M+H]+@5.96PC 39:7ME206136--5.96-
PC 39:8; [M+H]+@6.04PC 39:8ME206137--6.04-
PC 40:10; [M+H]+@5.63PC 40:10ME206139--5.63-
PC 40:1; [M+H]+@8.47PC 40:1ME206138--8.47-
PC 40:2; [M+H]+@8.03PC 40:2ME206140--8.03-
PC 40:7; [M+H]+@6.87PC 40:7ME206141--6.87-
PC 41:5; [M+H]+@7.28PC 41:5ME206142--7.28-
PC 41:6; [M+H]+@6.96PC 41:6ME206143--6.96-
PC 42:11; [M+H]+@5.78PC 42:11ME206145--5.78-
PC 42:1; [M+H]+@9.00PC 42:1ME206144--9-
PC 42:2; [M+H]+@8.61PC 42:2ME206146--8.61-
PC 42:3; [M+H]+@8.06PC 42:3ME206147--8.06-
PC 42:4; [M+H]+@7.99PC 42:4ME206148--7.99-
PC 42:5; [M+H]+@7.57PC 42:5ME206149--7.57-
PC 42:6; [M+H]+@7.15PC 42:6ME206150--7.15-
PC 42:7; [M+H]+@7.50PC 42:7ME206151--7.5-
PC 42:8; [M+H]+@6.32PC 42:8ME206152--6.32-
PC 42:9; [M+H]+@5.98PC 42:9ME206153--5.98-
PC 44:4; [M+H]+@8.56PC 44:4ME206154--8.56-
PC 44:5; [M+H]+@8.08PC 44:5ME206155--8.08-
PE 33:0; [M+H]+@7.00PE 33:0ME206156--7-
PE 38:4; [M+H]+@7.01PE 38:4ME206157--7.01-
plasmenyl-PC 18:0; [M+Na]+@1.81PC P-18:0ME206312--1.81-
plasmenyl-PC 36:4; [M+Na]+@6.57PC P-36:4ME206313--6.57-
plasmenyl-PC 38:3; [M+Na]+@7.08PC P-38:3ME206314--7.08-
plasmenyl-PC 44:4; [M+Na]+@8.40PC P-44:4ME206315--8.4-
plasmenyl-PE 32:0; [M+H]+@7.09PE P-32:0ME206316--7.09-
SM 29:1; [M]+@3.96SM 18:1;O2/29:1ME206158--3.96-
SM 30:1; [M+Na]+@4.37SM 30:1;O2ME206160--4.37-
SM 31:1; [M]+@4.75SM 31:1;O2ME206161--4.75-
SM 32:2; [M]+@4.63SM 32:2;O2ME206164--4.63-
SM 33:0; [M]+@5.78SM 33:0;O2ME206165--5.78-
SM 33:2; [M]+@4.98SM 33:2;O2ME206167--4.98-
SM 34:1; [M]+@5.75SM 34:1;O2ME206169--5.75-
SM 34:2; [M]+@5.24SM 34:2;O2ME206170--5.24-
SM 35:0; [M]+@6.46SM 35:0;O2ME206171--6.46-
SM 35:2; [M]+@5.55SM 35:2;O2ME206172--5.55-
SM 36:2; [M]+@6.02SM 36:2;O2ME206174--6.02-
SM 37:1; [M]+@6.77SM 37:1;O2ME206175--6.77-
SM 37:2; [M]+@6.39SM 37:2;O2ME206176--6.39-
SM 38:1; [M]+@7.13SM 38:1;O2ME206178--7.13-
SM 38:2; [M]+@6.41SM 38:2;O2ME206179--6.41-
SM 38:4; [M]+@5.75SM 38:4;O2ME206180--5.75-
SM 39:1; [M]+@7.34SM 39:1;O2ME206181--7.34-
SM 39:2; [M]+@6.99SM 39:2;O2ME206182--6.99-
SM 40:1; [M]+@7.68SM 40:1;O2ME206183--7.68-
SM 40:2; [M]+@7.20SM 40:2;O2ME206184--7.2-
SM 40:5; [M]+@5.96SM 40:5;O2ME206185--5.96-
SM 41:1; [M+Na]+@8.03SM 41:1;O2ME206186--8.03-
SM 41:2; [M+Na]+@7.62SM 41:2;O2ME206187--7.62-
SM 42:2; [M]+@7.64SM 42:2;O2ME206189--7.64-
SM 42:5; [M]+@6.54SM 42:5;O2ME206190--6.54-
SM 43:1; [M]+@8.46SM 43:1;O2ME206191--8.46-
SM 43:2; [M]+@7.97SM 43:2;O2ME206192--7.97-
SM 44:1; [M]+@8.76SM 44:1;O2ME206193--8.76-
SM 44:2; [M]+@8.26SM 44:2;O2ME206194--8.26-
TG 40:0; [M+NH4]+@9.41TG 40:0ME206195--9.41-
TG 40:1; [M+NH4]+@9.11TG 40:1ME206196--9.11-
TG 42:0; [M+NH4]+@9.73TG 42:0ME206197--9.73-
TG 42:1; [M+NH4]+@9.47TG 42:1ME206198--9.47-
TG 42:2; [M+NH4]+@9.21TG 42:2ME206199--9.21-
TG 44:1; [M+NH4]+@9.76TG 44:1ME206200--9.76-
TG 44:2; [M+NH4]+@9.50TG 44:2ME206201--9.5-
TG 46:0; [M+NH4]+@10.27TG 46:0ME206202--10.27-
TG 46:1; [M+NH4]+@10.03TG 46:1ME206203--10.03-
TG 46:2; [M+NH4]+@9.79TG 46:2ME206204--9.79-
TG 46:3; [M+NH4]+@9.56TG 46:3ME206205--9.56-
TG 48:0; [M+NH4]+@10.51TG 48:0ME206206--10.51-
TG 48:1; [M+NH4]+@10.28TG 48:1ME206207--10.28-
TG 48:2; [M+NH4]+@10.06TG 48:2ME206208--10.06-
TG 48:3; [M+NH4]+@9.83TG 48:3ME206209--9.83-
TG 49:0; [M+NH4]+@10.65TG 49:0ME206210--10.65-
TG 49:1; [M+NH4]+@10.47TG 49:1ME206211--10.47-
TG 49:2; [M+NH4]+@10.23TG 49:2ME206212--10.23-
TG 49:3; [M+NH4]+@10.03TG 49:3ME206213--10.03-
TG 50:0; [M+NH4]+@10.77TG 50:0ME206214--10.77-
TG 50:1; [M+NH4]+@10.53TG 50:1ME206215--10.53-
TG 50:2; [M+NH4]+@10.30TG 50:2ME206216--10.3-
TG 50:3; [M+NH4]+@10.10TG 50:3ME206217--10.1-
TG 50:4; [M+NH4]+@9.93TG 50:4ME206218--9.93-
TG 50:5; [M+NH4]+@9.71TG 50:5ME206219--9.71-
TG 51:1; [M+NH4]+@10.71TG 51:1ME206220--10.71-
TG 51:2; [M+NH4]+@10.50TG 51:2ME206221--10.5-
TG 51:3; [M+NH4]+@10.30TG 51:3ME206222--10.3-
TG 51:4; [M+NH4]+@10.10TG 51:4ME206223--10.1-
TG 51:5; [M+NH4]+@9.87TG 51:5ME206224--9.87-
TG 52:0; [M+NH4]+@11.03TG 52:0ME206225--11.03-
TG 52:1; [M+NH4]+@10.78TG 52:1ME206226--10.78-
TG 52:2; [M+NH4]+@10.55TG 52:2ME206227--10.55-
TG 52:3; [M+NH4]+@10.36TG 52:3ME206228--10.36-
TG 52:4; [M+NH4]+@10.16TG 52:4ME206229--10.16-
TG 52:5; [M+NH4]+@9.99TG 52:5ME206230--9.99-
TG 52:6; [M+NH4]+@9.80TG 52:6ME206231--9.8-
TG 52:7; [M+NH4]+@9.61TG 52:7ME206232--9.61-
TG 53:0; [M+NH4]+@11.13TG 53:0ME206233--11.13-
TG 53:1; [M+NH4]+@10.92TG 53:1ME206234--10.92-
TG 53:2; [M+NH4]+@10.73TG 53:2ME206235--10.73-
TG 53:3; [M+NH4]+@10.53TG 53:3ME206236--10.53-
TG 53:4; [M+NH4]+@10.33TG 53:4ME206237--10.33-
TG 53:5; [M+NH4]+@10.14TG 53:5ME206238--10.14-
TG 53:6; [M+NH4]+@9.96TG 53:6ME206239--9.96-
TG 53:7; [M+NH4]+@9.74TG 53:7ME206240--9.74-
TG 54:0; [M+NH4]+@11.25TG 54:0ME206241--11.25-
TG 54:1; [M+NH4]+@11.04TG 54:1ME206242--11.04-
TG 54:2; [M+NH4]+@10.83TG 54:2ME206243--10.83-
TG 54:3; [M+NH4]+@10.62TG 54:3ME206244--10.62-
TG 54:4; [M+NH4]+@10.42TG 54:4ME206245--10.42-
TG 54:5; [M+NH4]+@10.20TG 54:5ME206246--10.2-
TG 54:6; [M+NH4]+@10.07TG 54:6ME206247--10.07-
TG 54:7; [M+NH4]+@9.88TG 54:7ME206248--9.88-
TG 54:8; [M+NH4]+@9.69TG 54:8ME206249--9.69-
TG 55:1; [M+NH4]+@11.15TG 55:1ME206250--11.15-
TG 55:3; [M+NH4]+@10.75TG 55:3ME206251--10.75-
TG 55:6; [M+NH4]+@10.24TG 55:6ME206252--10.24-
TG 55:7; [M+NH4]+@10.07TG 55:7ME206253--10.07-
TG 56:0; [M+NH4]+@11.50TG 56:0ME206254--11.5-
TG 56:10; [M+NH4]+@9.66TG 56:10ME206256--9.66-
TG 56:1; [M+NH4]+@11.27TG 56:1ME206255--11.27-
TG 56:2; [M+NH4]+@11.06TG 56:2ME206257--11.06-
TG 56:3; [M+NH4]+@10.86TG 56:3ME206258--10.86-
TG 56:4; [M+NH4]+@10.71TG 56:4ME206259--10.71-
TG 56:5; [M+NH4]+@10.53TG 56:5ME206260--10.53-
TG 56:6; [M+NH4]+@10.34TG 56:6ME206261--10.34-
TG 56:7; [M+NH4]+@10.21TG 56:7ME206262--10.21-
TG 56:8; [M+NH4]+@9.96TG 56:8ME206263--9.96-
TG 56:9; [M+NH4]+@9.82TG 56:9ME206264--9.82-
TG 57:3; [M+NH4]+@11.01TG 57:3ME206265--11.01-
TG 57:6; [M+NH4]+@10.52TG 57:6ME206266--10.52-
TG 57:8; [M+NH4]+@10.19TG 57:8ME206267--10.19-
TG 58:10; [M+NH4]+@9.89TG 58:10ME206269--9.89-
TG 58:11; [M+NH4]+@9.75TG 58:11ME206270--9.75-
TG 58:12; [M+NH4]+@9.60TG 58:12ME206271--9.6-
TG 58:1; [M+NH4]+@11.52TG 58:1ME206268--11.52-
TG 58:2; [M+NH4]+@11.29TG 58:2ME206272--11.29-
TG 58:3; [M+NH4]+@11.09TG 58:3ME206273--11.09-
TG 58:4; [M+NH4]+@10.91TG 58:4ME206274--10.91-
TG 58:5; [M+NH4]+@10.77TG 58:5ME206275--10.77-
TG 58:6; [M+NH4]+@10.57TG 58:6ME206276--10.57-
TG 58:7; [M+NH4]+@10.40TG 58:7ME206277--10.4-
TG 58:8; [M+NH4]+@10.26TG 58:8ME206278--10.26-
TG 58:9; [M+NH4]+@10.11TG 58:9ME206279--10.11-
TG 60:10; [M+NH4]+@10.18TG 60:10ME206280--10.18-
TG 60:11; [M+NH4]+@10.07TG 60:11ME206281--10.07-
TG 60:12; [M+NH4]+@9.85TG 60:12ME206282--9.85-
TG 60:13; [M+NH4]+@9.69TG 60:13ME206283--9.69-
TG 60:5; [M+NH4]+@10.98TG 60:5ME206284--10.98-
TG 60:7; [M+NH4]+@10.67TG 60:7ME206285--10.67-
TG 60:8; [M+NH4]+@10.52TG 60:8ME206286--10.52-
TG 60:9; [M+NH4]+@10.34TG 60:9ME206287--10.34-
TG 62:13; [M+NH4]+@9.89TG 62:13ME206288--9.89-


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