#METABOLOMICS WORKBENCH Xing_20251101_002847 DATATRACK_ID:6615 STUDY_ID:ST004341 ANALYSIS_ID:AN007249 PROJECT_ID:PR002753 VERSION 1 CREATED_ON November 13, 2025, 1:54 pm #PROJECT PR:PROJECT_TITLE Honey combined with ethanol modeling and serum metabolomics PR:PROJECT_SUMMARY Honey, unlike some other common sweeteners, contains diversity of unique PR:PROJECT_SUMMARY biologically active compounds with potential hepato-protective properties. This PR:PROJECT_SUMMARY study aimed to investigate the effects of honey on alcohol-associated liver PR:PROJECT_SUMMARY disease (ALD) and to compare it with a mixture of sugars (39% fructose, 28% PR:PROJECT_SUMMARY glucose, and 4% sucrose). PR:INSTITUTE Chinese Academy of Agricultural Sciences Institute of Apiculture Research PR:LAST_NAME Zheng PR:FIRST_NAME Xing PR:ADDRESS Xiangshan, Haidian, Beijing, BEIJING, 100081, China PR:EMAIL zhengxing@caas.cn PR:PHONE +86 15600523029 #STUDY ST:STUDY_TITLE Effects of honey on alcohol-associated liver disease (ALD): Honey combined with ST:STUDY_TITLE ethanol modeling and serum metabolomics ST:STUDY_SUMMARY Background: Honey, unlike some other common sweeteners, contains diversity of ST:STUDY_SUMMARY unique biologically active compounds with potential hepato-protective ST:STUDY_SUMMARY properties. This study aimed to investigate the effects of honey on ST:STUDY_SUMMARY alcohol-associated liver disease (ALD) and to compare it with a mixture of ST:STUDY_SUMMARY sugars (39% fructose, 28% glucose, and 4% sucrose). Methods: This study modeled ST:STUDY_SUMMARY ALD in C57BL/6J mice by feeding them a liquid diet containing 5% ethanol. ST:STUDY_SUMMARY Concurrently, mice received oral interventions with honey (4 g/kg body weight) ST:STUDY_SUMMARY and mixed sugars (4 g/kg body weight). At the conclusion of the 18-day ST:STUDY_SUMMARY experiment, serum, organs, and intestinal contents were collected for analysis. ST:STUDY_SUMMARY Results: Honey reduced hepatic steatosis, decreased inflammatory gene expression ST:STUDY_SUMMARY and improved antioxidant capacity compared to mice on a diet mixed with sugar. ST:STUDY_SUMMARY Meanwhile, honey reduced serum long-chain fatty acid levels and increased ST:STUDY_SUMMARY short-chain fatty acid (SCFA) levels in cecal contents. In addition, ST:STUDY_SUMMARY non-targeted metabolomics results indicated that honey ameliorates alcoholic ST:STUDY_SUMMARY liver injury by modulating steroid hormone biosynthesis and 2 alpha-linolenic ST:STUDY_SUMMARY acid metabolism. Furthermore, gut flora analyses revealed that honey increased ST:STUDY_SUMMARY beneficial bacteria such as GCA-900066575 (which produces butyric acid), ST:STUDY_SUMMARY Dubosiella spp. (which produces propionic acid) and Mucispirillum spp. (which ST:STUDY_SUMMARY protects the gut barrier). These beneficial bacteria increased SCFA levels in ST:STUDY_SUMMARY the gut, improved intestinal damage and reduced systemic inflammation. ST:STUDY_SUMMARY Conclusions: This study demonstrates the potential health benefits of honey in ST:STUDY_SUMMARY the management of ALD. The mechanisms include remodelling the gut microbiota, ST:STUDY_SUMMARY promoting metabolic homeostasis and reducing inflammation. The findings o this ST:STUDY_SUMMARY study provide foundation for the use of honey as a potential dietary ST:STUDY_SUMMARY intervention in management of metabolic diseases such as ALD. ST:INSTITUTE Chinese Academy of Agricultural Sciences Institute of Apiculture Research ST:LAST_NAME Zheng ST:FIRST_NAME Xing ST:ADDRESS Xiangshan, Haidian, Beijing, BEIJING, 100081, China ST:EMAIL zhengxing@caas.cn ST:PHONE +86 15600523029 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - NEG_Ethanol group-1 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-A1-1.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol group-2 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-A1-2.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol group-3 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-A1-3.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol group-4 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-A1-4.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol group-5 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-A1-5.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol group-6 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-A1-6.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol group-7 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-A1-7.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol group-8 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-A1-8.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol group-9 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-A1-9.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol group-10 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-A1-10.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Honey group-1 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=NEG-A2-1.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Honey group-2 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=NEG-A2-2.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Honey group-3 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=NEG-A2-3.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Honey group-4 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=NEG-A2-4.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Honey group-5 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=NEG-A2-5.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Honey group-6 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=NEG-A2-6.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Honey group-7 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=NEG-A2-7.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Honey group-8 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=NEG-A2-8.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Honey group-9 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=NEG-A2-9.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Honey group-10 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=NEG-A2-10.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Sugar group-1 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=NEG-A3-1.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Sugar group-2 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=NEG-A3-2.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Sugar group-3 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=NEG-A3-3.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Sugar group-4 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=NEG-A3-4.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Sugar group-5 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=NEG-A3-5.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Sugar group-6 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=NEG-A3-6.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Sugar group-7 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=NEG-A3-7.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Sugar group-8 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=NEG-A3-8.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Sugar group-9 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=NEG-A3-9.d SUBJECT_SAMPLE_FACTORS - NEG_Ethanol+Sugar group-10 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=NEG-A3-10.d SUBJECT_SAMPLE_FACTORS - NEG-QC1 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-QC1.d SUBJECT_SAMPLE_FACTORS - NEG-QC2 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-QC2.d SUBJECT_SAMPLE_FACTORS - NEG-QC3 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-QC3.d SUBJECT_SAMPLE_FACTORS - NEG-QC4 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-QC4.d SUBJECT_SAMPLE_FACTORS - NEG-QC5 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-QC5.d SUBJECT_SAMPLE_FACTORS - NEG-QC6 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=NEG-QC6.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol group-1 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-A1-1.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol group-2 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-A1-2.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol group-3 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-A1-3.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol group-4 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-A1-4.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol group-5 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-A1-5.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol group-6 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-A1-6.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol group-7 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-A1-7.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol group-8 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-A1-8.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol group-9 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-A1-9.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol group-10 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-A1-10.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Honey group-1 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=POS-A2-1.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Honey group-2 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=POS-A2-2.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Honey group-3 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=POS-A2-3.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Honey group-4 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=POS-A2-4.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Honey group-5 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=POS-A2-5.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Honey group-6 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=POS-A2-6.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Honey group-7 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=POS-A2-7.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Honey group-8 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=POS-A2-8.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Honey group-9 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=POS-A2-9.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Honey group-10 Sample source:Mouse blood | treatment:Ethanol+Honey RAW_FILE_NAME(Raw file name)=POS-A2-10.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Sugar group-1 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=POS-A3-1.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Sugar group-2 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=POS-A3-2.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Sugar group-3 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=POS-A3-3.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Sugar group-4 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=POS-A3-4.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Sugar group-5 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=POS-A3-5.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Sugar group-6 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=POS-A3-6.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Sugar group-7 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=POS-A3-7.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Sugar group-8 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=POS-A3-8.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Sugar group-9 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=POS-A3-9.d SUBJECT_SAMPLE_FACTORS - POS_Ethanol+Sugar group-10 Sample source:Mouse blood | treatment:Ethanol+Sugar RAW_FILE_NAME(Raw file name)=POS-A3-10.d SUBJECT_SAMPLE_FACTORS - POS-QC1 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-QC1.d SUBJECT_SAMPLE_FACTORS - POS-QC2 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-QC2.d SUBJECT_SAMPLE_FACTORS - POS-QC3 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-QC3.d SUBJECT_SAMPLE_FACTORS - POS-QC4 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-QC4.d SUBJECT_SAMPLE_FACTORS - POS-QC5 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-QC5.d SUBJECT_SAMPLE_FACTORS - POS-QC6 Sample source:Mouse blood | treatment:Ethanol RAW_FILE_NAME(Raw file name)=POS-QC6.d #COLLECTION CO:COLLECTION_SUMMARY After the mice inhale carbon dioxide, blood is collected via the orbital sinus, CO:COLLECTION_SUMMARY and serum is obtained after centrifugation. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY Thirty mice were randomly divided into three groups (n=10/group): (1) Ethanol TR:TREATMENT_SUMMARY group (gavage of purified water), (2) Ethanol+Honey group (gavage of 4 g honey TR:TREATMENT_SUMMARY /kg body weight), (3) Ethanol+Sugar group (gavage of 4 g mixed sugar/kg body TR:TREATMENT_SUMMARY weight). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY In brief, serum samples (100 uL) were extracted with 400 uL of methanol and SP:SAMPLEPREP_SUMMARY acetonitrile (1:1, v/v), and the extraction efficiency was facilitated by SP:SAMPLEPREP_SUMMARY vortexing and sonication. The samples were centrifuged, and the supernatant was SP:SAMPLEPREP_SUMMARY dried. The serum was then re-solubilized with methanol and acetonitrile (1:1, SP:SAMPLEPREP_SUMMARY v/v). Finally, the supernatant extract was filtered (0.22 um nylon membrane) SP:SAMPLEPREP_SUMMARY before metabolite analysis. The instrumentation was based on an Agilent HPLC SP:SAMPLEPREP_SUMMARY system combined with quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF/MS, SP:SAMPLEPREP_SUMMARY 6545, Agilent Technologies, Palo Alto, CA, USA). The test method was also SP:SAMPLEPREP_SUMMARY adopted in our previous study. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 CH:COLUMN_NAME Agilent Zorbax Eclipse Plus C18 (100 x 2.1mm, 1.8 um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT 0 min/5% B, 2 min/5% B, 20min/100% B, 25 min/100% B CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 30 °C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The ion source was ESI, and a nebulizer pressure was 35 psi, a capillary voltage MS:MS_COMMENTS was 3500 V, a fragmentor voltage was 135 V, a drying gas (N2) flow rate was 10 MS:MS_COMMENTS L/min, a drying gas temperature was 325 °C, and a mass range was 100–1700 MS:MS_COMMENTS m/z. The reference MS solution was 112.9856 and 1033.9881to ensure the stability MS:MS_COMMENTS and accuracy of the instrument. NOTE: "Score" (metabolite metadata) is a MS:MS_COMMENTS quantitative index in LC-MS data used to evaluate the reliability of compound MS:MS_COMMENTS matches. A higher Score indicates greater confidence in the compound result. MS:MS_RESULTS_FILE ST004341_AN007249_Results.txt UNITS:Peak area Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples NEG_Ethanol group-1 NEG_Ethanol group-10 NEG_Ethanol group-2 NEG_Ethanol group-3 NEG_Ethanol group-4 NEG_Ethanol group-5 NEG_Ethanol group-6 NEG_Ethanol group-7 NEG_Ethanol group-8 NEG_Ethanol group-9 NEG_Ethanol+Honey group-1 NEG_Ethanol+Honey group-10 NEG_Ethanol+Honey group-2 NEG_Ethanol+Honey group-3 NEG_Ethanol+Honey group-4 NEG_Ethanol+Honey group-5 NEG_Ethanol+Honey group-6 NEG_Ethanol+Honey group-7 NEG_Ethanol+Honey group-8 NEG_Ethanol+Honey group-9 NEG_Ethanol+Sugar group-1 NEG_Ethanol+Sugar group-10 NEG_Ethanol+Sugar group-2 NEG_Ethanol+Sugar group-3 NEG_Ethanol+Sugar group-4 NEG_Ethanol+Sugar group-5 NEG_Ethanol+Sugar group-6 NEG_Ethanol+Sugar group-7 NEG_Ethanol+Sugar group-8 NEG_Ethanol+Sugar group-9 NEG-QC1 NEG-QC2 NEG-QC3 NEG-QC4 NEG-QC5 NEG-QC6 Factors Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol+Honey Sample source:Mouse blood | treatment:Ethanol+Honey Sample source:Mouse blood | treatment:Ethanol+Honey Sample source:Mouse blood | treatment:Ethanol+Honey Sample source:Mouse blood | treatment:Ethanol+Honey Sample source:Mouse blood | treatment:Ethanol+Honey Sample source:Mouse blood | treatment:Ethanol+Honey Sample source:Mouse blood | treatment:Ethanol+Honey Sample source:Mouse blood | treatment:Ethanol+Honey Sample source:Mouse blood | treatment:Ethanol+Honey Sample source:Mouse blood | treatment:Ethanol+Sugar Sample source:Mouse blood | treatment:Ethanol+Sugar Sample source:Mouse blood | treatment:Ethanol+Sugar Sample source:Mouse blood | treatment:Ethanol+Sugar Sample source:Mouse blood | treatment:Ethanol+Sugar Sample source:Mouse blood | treatment:Ethanol+Sugar Sample source:Mouse blood | treatment:Ethanol+Sugar Sample source:Mouse blood | treatment:Ethanol+Sugar Sample source:Mouse blood | treatment:Ethanol+Sugar Sample source:Mouse blood | treatment:Ethanol+Sugar Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol Sample source:Mouse blood | treatment:Ethanol (-)-11-nor-9-carboxy-?9-THC-d3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9291 45105 100755 31483 40585 31545 22867 20606 21086 34259 1 1 1 1 1 1 (-)-Asbestinine 2 1 1 1 1 1 1 1 1 1 1 206170 251323 1 115789 163250 1 137438 128923 118468 277091 1 294296 1 1 195393 1 1 180713 175183 69780 1 1 120401 182402 220972 187764 (-)-Folicanthine 228445 169829 149249 138631 160498 151302 128151 135402 165315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (-)-Folicanthine Esi-18.905445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23422 1 527106 90570 2761 1 1 1 1 1 221324 161548 142813 92568 201745 (-)-Folicanthine Esi-19.1315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125025 135028 136535 132662 110345 137543 115888 100572 126528 126552 80328 110262 135782 151991 117261 142067 (-)-Fusicoplagin A 1 1 1 1 1 1 1 1 1 1 42560 35672 35625 58450 49413 41045 48557 51750 46473 55570 52393 59151 54976 1 51394 41296 59949 48010 68948 50380 41499 44323 64938 65630 66066 70603 (-)-Neolinderatin 1 1 1 1 1 1 1 1 1 1 822804 1142896 740170 686749 831656 1043946 716967 433447 809176 1413573 570676 1417399 386534 514620 773485 667185 347728 742251 1061747 1131553 1 1 1 1 1 1 (-)-Tortuosamine 427239 50925 305576 280902 227338 310618 177224 44566 74409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 703316 219612 58536 13065 20483 1 (-)-Tortuosamine Esi-19.124285 220844 65844 317586 183321 230848 242561 143960 41191 21551 2719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449011 77107 1 1 3117 4557 (?-2-Hydroxy-4-(methylthio)butanoic acid 1078758 834221 910986 1067677 742049 1179528 877741 836715 912008 818169 843113 837103 1043497 947904 977456 709354 835782 1014360 853688 1231293 823994 1196608 848785 1199519 1010215 1005930 890396 1013596 826120 841081 816782 746581 906141 577770 869216 849674 (?-2-Hydroxy-4-(methylthio)butanoic acid Esi-6.1074557 1078758 779145 910986 1067677 742049 1179528 877741 836715 912008 818169 843113 837103 1043497 1 145878 709354 835782 1014360 853688 1231293 823994 1216106 848785 353373 1010215 109309 890396 1175917 826120 841081 816782 746581 906141 1186689 869216 849674 (?9-HpODE 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525804 333661 301578 317954 226096 472193 222033 331846 371184 259307 1 1 1 1 1 1 (?-Desethylhydroxychloroquine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35788 1 13750 18660 16131 2682 1 17392 1 1 1 1 1 1 1 (?-WIN 55,212 1 1 1 1 1 1 1 1 1 1 1 35670 1 26480 15438 1 30903 1 1 31246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (+)-Atherospermoline 1 193419 69927 332608 84408 138168 1 296532 202263 254902 69365 108088 39663 107747 85697 1 147224 104831 87954 71892 78363 218892 97702 137239 173411 82254 114382 112525 181997 135415 1 1 1 1 1 1 (+)-gamma-Hydroxy-L-homoarginine Esi-7.653 1 1 1 1 1 1 1 1 1 1 59170 5441 26196 8236 1 1 3441 1 3902 10630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (+/-)-alpha-Hydroxyisovaleric acid Esi-1.936 221348 143779 325041 239993 1 199118 290612 200449 1 303785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (+/-)-alpha-Hydroxyisovaleric acid 188725 482903 49531 297405 329726 1 213508 102170 382987 265599 16848 279018 84182 221600 217616 250587 430529 446592 341201 278478 1 278093 622875 101866 426922 321590 271807 201844 387395 800460 189997 261474 359546 394571 501715 489025 (17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148786 173715 203170 144715 127381 135066 (1H-Indol-4-yl)-Carbamic Acid tert-butyl ester 25426 108711 86028 28389 14713 34423 17940 194368 118743 89702 21279 130948 79049 48312 28213 35879 113756 151426 1 104652 40909 54319 133721 171299 150005 110638 90274 115827 173004 28815 87478 114427 114873 112503 119229 92980 (1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid Esi-0.8549233 623944 276333 313713 571857 372550 718266 798443 300177 68035 782209 1 1 1 1 1 1 1 1 1 1 689221 451337 912630 363031 397898 309420 513110 140041 362469 167991 346939 676079 658521 550720 504455 491765 (1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid 119535 222511 233795 98630 306625 507490 347100 415905 337825 382301 720196 438963 1091982 385912 709956 572154 456123 391523 546697 429390 381023 542589 1247950 427351 330240 342266 386438 249468 460653 72812 452296 382348 417682 462972 637538 482498 (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid 1 1 1 135263 253887 43996 88297 1 45769 59939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (20R)-1?,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitamin D3 / (20R)-1?,25-dihydroxy-20-phenyl-16,17-didehydro-21-norcholecalciferol 22947 31659 19435 40057 46570 42515 25420 34449 40798 25272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomovitamin D3 / (22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomocholecalciferol 334359 51799 340422 204208 182336 191332 123690 30520 2383 24718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (22E,24R)-Stigmasta-4,22-diene-3,6-dione 1 1 1 1 1 1 1 1 1 1 184973 113539 126606 102136 123628 132283 126640 118553 98081 111308 108453 119265 115019 315566 193146 145599 96221 107204 105296 93045 1 1 1 1 1 1 (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epicholecalciferol Esi-15.688002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478896 527777 729566 1556779 529160 1767456 1039600 2015701 1203900 1 1 1 1 1 1 1 (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epicholecalciferol 27601 76108 1 1 138107 38287 73236 97984 71425 98751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (23S)-26,26,26,27,27,27-hexafluoro-1?,23,25-trihydroxyvitamin D3 / (23S)-26,26,26,27,27,27-hexafluoro-1?,23,25-trihydroxycholecalciferol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368324 338153 799195 626202 552266 528499 431919 421320 376824 654657 1 1 1 1 1 1 (24E)-3alpha,15alpha-Diacetoxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid 153959 114830 112587 160125 75387 234961 90346 152798 98008 147821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (24RS)-28,28,28-trifluoro-25-hydroxyvitamin D2 / (24RS)-28,28,28-trifluoro-25-hydroxyergocalciferol 133733 143904 12278 17129 135424 1 65757 69944 162118 10748 148544 190799 138491 80359 10428 75607 170680 143820 228423 79598 48005 186470 1 364975 193019 135988 51493 85028 74925 41868 31138 125695 161938 132842 155760 158240 (24S)-24-fluoro-1?,25-dihydroxyvitamin D2 / (24S)-24-fluoro-1?,25-dihydroxyergocalciferol Esi-23.75 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093254 569006 1035601 306818 521679 569942 584131 588793 242331 454198 1 1 1 1 1 1 (24S)-24-fluoro-1?,25-dihydroxyvitamin D2 / (24S)-24-fluoro-1?,25-dihydroxyergocalciferol 345296 538943 519817 468994 556064 807133 730813 591075 831859 655333 912220 699766 930473 678234 523492 596763 664955 638241 552441 670789 1046914 570359 1060845 306818 517192 571548 593560 571731 242331 454922 11435 616561 737321 302648 405088 703603 (25R)-11alpha,20,26-trihydroxyecdysone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155194 192763 30487 473329 355736 212298 140458 201495 50399 26327 157886 207186 249177 252253 170988 235666 (25R)-26,26,26-trifluoro-1?,25-dihydroxyvitamin D3 / (25R)-26,26,26-trifluoro-1?,25-dihydroxycholecalciferol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45809 1 3584 1 1 1 2099 1 1 1 1 1 1 (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine Esi-15.506749 1 1 1 1 1 1 1 1 1 1 1 417610 9459802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452363 3301203 2950600 2438486 2224559 4.27E+07 (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine 1 1 1 1 1 1 1 1 1 1 7.73E+07 6.91E+07 7.58E+07 5.66E+07 6.53E+07 7.51E+07 5.55E+07 5.34E+07 6.67E+07 6.87E+07 6.94E+07 6.39E+07 8.68E+07 2.70E+07 6.50E+07 7.19E+07 6.02E+07 7.87E+07 6.63E+07 6.39E+07 1 7.97E+07 7.16E+07 7.00E+07 6.94E+07 6.89E+07 (25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside 307887 206589 285394 396099 364071 341278 268741 264793 266195 195222 244283 220887 220179 225134 193680 219655 263945 211182 251050 212462 230634 290889 250258 249666 273131 225103 284250 253807 282453 277753 303640 434572 259057 146624 208377 202917 (25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside Esi-13.956809 1 1 1 1 1 1 1 1 1 1 1 79784 41732 1 1 1 60948 57517 31035 92703 39495 134650 38685 41905 52338 86951 55473 67810 70797 47970 22984 1 76999 57545 70251 50961 (25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside Esi-14.336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253417 326882 286518 232324 254441 230656 269083 247597 273936 253282 1 1 1 1 1 1 (2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone 29169 478280 362688 19338 34504 85659 38937 44744 150807 47023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein Esi-1.4988573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196343 1 267354 1 113094 1 1 1 479290 375393 354311 190965 1 1 (2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein 126673 286605 160250 704815 151959 442733 366540 173138 200237 258561 1 1 1 1 1 1 1 1 1 1 1 66065 287515 267072 255934 170008 74548 307103 241019 98499 321480 143829 287111 357509 90420 161987 (2R,4S)-2,4-Diaminopentanoate 187430 143514 238650 245231 122416 196656 299866 101350 1 262872 119927 128892 270917 195810 210681 193401 115390 328371 223646 158536 1 1 1 1 1 1 1 1 1 1 146578 140181 306882 366844 233247 137589 (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1-6)-b-D-glucopyranoside] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243539 1013547 517085 349187 561161 592648 (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 29250 1 1 1 1 1 15736 5305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol 1 1 1 1 1 1 1 1 1 1 56338 50685 52901 38825 43471 57899 53782 39818 44657 78780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.684941 2074427 1248373 2147639 1159355 2875255 1102360 1848934 1399541 1446189 769905 1050222 1890191 3930927 1855244 2205302 1959897 1654325 830565 1422927 1254449 1563700 1721197 2120809 4035254 643476 2078965 984265 1480217 1086270 364703 355783 884203 1523650 1446175 1172697 1094605 (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside 1652821 1272473 2939223 684457 1866500 899579 1496805 802756 1724183 1513961 1048319 1889509 3930927 1855244 2205302 1959897 1655653 830565 1422927 1254449 1463999 1276356 1591679 2067365 1579199 2302779 1293443 1057544 1371720 494132 622676 1913233 1878758 1469356 1549441 1489494 (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.668497 63147 1248373 2150476 805449 2623377 1102360 637995 1394240 1428548 1840186 1210542 1893824 3936696 2400684 2200883 1970667 1653377 601837 1422927 777458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.446557 650417 1 1172663 700160 1011752 206303 877708 355739 1 740458 1 1 1 1 1 1 1 1 1 1 1 794653 1 800436 1 922288 806190 569400 1 1 482371 1 1697840 831833 1534661 748994 (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-16.573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267677 53011 13330 1 1 1 1 1 1 1 1 1 1 (3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol 116459 37457 247389 468241 560454 432141 58111 325165 15762 64142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-[4'-(2''-glucosyl-3''-xylosyl)-galactoside] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385213 276706 1 1 1 211978 344885 1 286143 1 1 1 1 1 1 1 (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol 1 12002 24996 1 1 1 1 83539 34031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248040 271063 31938 61961 48415 11547 (3Z)-Phytochromobilin 262388 110252 225121 195868 349536 172368 238919 155636 121721 83613 174908 265711 234296 110953 111128 114090 155957 106715 115738 133300 1 1 1 1 1 1 1 1 1 1 351781 324788 148876 126917 126462 129190 (4OH,8Z,t18:1) sphingosine 1 1 1 1 30555 5462 1 1 5799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane 1 1 1 1 1 1 1 1 1 1 1 1 1 12856 1 1 1 1 32552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl ester 241612 87370 229676 207294 131320 345353 236818 396004 202870 111398 87806 110056 87014 95526 90890 49360 82327 48603 75993 64651 52684 101463 100922 77683 87266 90893 56801 38621 88684 56521 183696 329396 114497 94893 106036 97589 (5Z,7E)-(1R,3R)-1,25-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3-ol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40917 33662 49380 4943 45986 24517 30015 38621 84203 8292 1 1 1 1 1 1 (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 46175 24862 11811 1 110360 32300 26492 37557 20756 55159 1 1 1 1 1 1 1 1 1 1 1 18447 71608 23009 19755 1 2256 1 31743 1 46433 50968 34964 80190 21175 23958 (Ac)2-L-Lys-D-Ala-D-Ala Esi-14.157999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11733 21281 92611 24066 10258 6927 17900 1 19186 5646 1 1 1 1 1 1 (Ac)2-L-Lys-D-Ala-D-Ala 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176049 53369 52148 14968 18945 1 1 1 1 1 1 1 1 1 (E)-1,2-bis(6-methoxyquinolin-4-yl)ethene Esi-5.559 94280 37894 1 1 1 1 27125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (E)-1,2-bis(6-methoxyquinolin-4-yl)ethene 339240 175484 503504 89400 305187 365233 248298 263047 80377 123642 307444 333874 334420 200586 169381 146020 106947 303709 217230 163788 227914 55233 381065 324104 191739 200534 109787 209852 165753 346426 189300 386082 265069 269102 257731 231455 (E)-2-Methylglutaconic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154518 164572 168873 167031 155435 159980 (E)-Squamosamide 54236 11911 27970 39980 57343 63744 41136 27924 17186 13326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (N-Acetylglucosaminyl)2-diphosphodolichol 1 1 1 1 1 1 1 1 1 1 165721 91874 198465 113077 154030 107375 89646 74610 143432 95637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (R)-(+)-2-Pyrrolidone-5-carboxylic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809573 1926997 712384 288914 857018 836057 445562 304653 1087582 1 1 1 1 1 1 (R)-(E)-Sulforaphene 1 1 1 1 1 1 1 1 1 1 59560 58165 27789 92796 46010 34672 32034 91836 42644 35052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (R)-Apiumetin 371899 227333 309106 149240 181741 141310 272751 169374 181866 119034 268280 111737 75935 177828 116236 275636 168039 161052 196652 109163 186870 157659 374140 121673 175681 124560 178548 83912 77943 142170 185733 209575 158272 170792 196662 212120 (R)C(R)S-S-Propylcysteine sulfoxide Esi-5.548 61766 1 54104 24223 20893 37448 16532 1 18873 36206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (R)C(R)S-S-Propylcysteine sulfoxide 290911 130687 267580 141251 88651 176264 151059 106609 1 126732 1 1 1 1 1 1 1 1 1 1 1 50952 240129 74002 117520 37303 61865 1 61755 1 1 1 1 1 1 1 (R)C(R)S-S-Propylcysteine sulfoxide Esi-4.974923 1 1 1 1 1 1 1 1 1 1 64053 206139 111047 1 69105 339536 76492 1 190393 125823 1 308604 1 94778 112400 1 1 54771 1 106293 1 1 1 1 1 1 (R)-SLV 319 Esi-0.822 11775 29717 1 66860 555693 658540 58514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (R)-SLV 319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39643 65176 105121 101828 110907 73025 (S)-(-)-2-Hydroxyisocaproic acid Esi-5.6432767 1000738 833123 3090966 1709736 967750 2344135 1935169 1129584 736385 2803103 1349461 863670 743313 769924 880348 944221 988643 1079458 769780 796775 1138103 675796 4425227 923014 924143 675917 1186867 851251 937949 1898641 1140448 1135909 1146932 1149542 2168844 1164035 (S)-(-)-2-Hydroxyisocaproic acid 2768571 1034742 4104342 4272250 935761 2358022 3461558 1108033 851408 3946809 1693064 1124918 876383 893315 1129513 1081226 1371469 2335072 1037662 1189464 1698931 711366 1.08E+07 1607573 1852096 1049220 1855467 1229951 1060465 280286 2519059 2379692 2639941 2720311 2841996 2692289 (S)-2-Hydroxypropyl-CoM 80088 15353 92808 44207 16311 35884 23596 10647 2702 49037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (S)-Batatic acid 1 1 1 1 1 1 1 1 1 1 19299 45755 36792 31340 1 21763 31901 39739 29644 36199 29150 41574 23491 42013 43903 45745 24530 36894 42443 28525 1 1 1 1 1 1 (S)-Menthone 8-thioacetate 66163 64088 10624 16581 22026 1 40117 30940 28167 4372 12681 29884 19787 24498 9307 6574 117216 21530 70471 29098 20307 77220 11354 45418 103497 1 22022 30397 42712 9918 1 1 1 1 1 1 (S)-Mevalonic acid 23796 13655 272973 1 1 62403 36902 1 15544 278552 1 1 1 1 1 1 1 1 1 1 54187 2664 260242 3810 10212 53861 6159 22141 38922 6703 175349 125296 21446 1 1 14150 (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1-2)-b-D-glucopyranoside] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67878 220785 91828 77291 1 1 52931 1 71178 1 1 98347 1 81563 309914 1 (S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1-4)-a-L-rhamnopyranosyl-(1-2)-[a-L-rhamnopyranosyl-(1-6)]-b-D-glucopyranoside] 139738 11813 146633 98824 90541 133946 38338 14945 11156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117358 40477 6204 5015 3649 1 (S1)-Methoxy-3-heptanethiol 44553 43957 37546 35948 41632 40331 37903 22221 42635 40918 1 1 1 1 1 1 1 1 1 1 42375 45596 31432 27798 34153 25666 35333 42372 40834 47404 43660 44617 43601 44868 44408 50086 (Z)-22-Hentriacontene-2,4-dione 54772 147141 107866 1 1 1 108943 68774 94695 1 1 1 1 1 1 1 1 1 1 1 7190 139875 1 1 1 1 1 5069 1 1 1 1 1 1 1 1 (Z)-2-Decene-4,6,8-triyn-1-ol 188578 181952 207858 196141 236173 1 1 182612 186900 197693 192732 146545 181119 184031 173836 186938 204293 175340 140643 180736 194152 156888 157964 169454 167067 181577 164865 181919 181255 114321 197962 185585 194267 178267 180915 183883 (Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone 1 1 1 1 1 1 1 1 1 1 76250 233056 37864 258311 95198 96140 55291 167759 1 88105 342418 1 295245 1 134493 1 213028 1 149641 266561 1 1 1 1 1 1 (Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide Esi-0.829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 710083 1 2804016 1 366572 66519 68599 37376 546768 395682 1 1 1 1 1 1 (Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide 623471 1 2510717 586474 1 425493 1 51036 1 844978 1 1 1 1 1 1 1 1 1 1 685837 1 2548709 1 420215 205388 145333 153351 431085 440607 1 1 1 1 1 1 ?-D-Glucose 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4528252 3290544 3511260 1919878 1871257 2802046 3619542 4033927 2956088 4672362 1 1 1 1 1 1 ?-Hydroxyisobutyrate 6.34E+07 1.36E+07 7.06E+07 5.89E+07 3.12E+07 7.16E+07 5.75E+07 3.89E+07 4992624 4.00E+07 5.11E+07 1.43E+07 1.54E+07 2.66E+07 1.75E+07 2.59E+07 4.31E+07 3.27E+07 1.39E+07 2.25E+07 4.54E+07 1.68E+07 3665354 1.90E+07 1.88E+07 8332240 5.52E+07 2.06E+07 1.57E+07 2.62E+07 4.61E+07 4.30E+07 4.73E+07 4.61E+07 4.75E+07 4.49E+07 1-(10-methyl-hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine 124797 1 1 1 1 1 1 102565 1 109472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate 217680 89962 213771 212139 122289 201308 173457 164575 107991 117176 104829 87874 101169 83123 126653 61894 95240 113384 105454 73964 78336 76393 191879 91456 96103 60051 101301 71263 72391 115314 194979 114307 97270 96137 101604 92027 1(3)-glyceryl-6-keto-PGF1? 6267 1 2746 206547 244918 102041 20174 14637 1 1 411663 355455 41794 1 1 115340 16764 183508 1 1 1 480316 101079 35232 5096 1 59127 155023 1 37232 207637 75578 103622 196988 213401 207040 1(3)-glyceryl-6-keto-PGF1? Esi-10.624619 47201 37523 44127 164138 213285 98969 54952 26268 47611 48357 65420 99730 1 1 17687 83424 14592 52537 1 1 1 136942 76294 1 1 1 8584 58733 1 21551 1 1 1 1 1 1 1(3)-glyceryl-PGF2? 12024 14885 5819 25626 173201 1 11089 104397 1 62715 1 139286 6181 54148 98434 279245 1850 96225 21460 13234 1 248236 64887 47983 9042 22561 1 90825 14610 138149 55863 73203 40053 88787 80059 93659 1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione 8490 112025 1 1 1 1 1 47611 23045 1 1 1 1 5511 1 1 64101 1 84954 21632 1 34292 4170 69598 101406 7590 1 15470 33863 1 1 1 1 1 1 1 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide 28694 1 30317 53952 3710 116241 38851 1 1 5814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol) 708873 568163 671578 556832 895334 703305 800364 618667 700670 383517 590848 443677 563868 683926 476151 744306 505249 407722 397859 821837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1-(9,14-dimethyl-pentadecanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol 1 1 1 1 1 1 1 1 1 1 358453 621505 493353 460201 161759 398181 516326 741810 440610 363937 1 425814 875592 1 1 128672 456768 188955 118676 160076 800900 177282 170472 633208 614486 619593 1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol 578582 494194 656869 485306 974206 357722 883342 396246 415890 392627 578403 546593 620316 794499 231856 666759 718364 511369 370239 713365 626009 614754 504287 236380 611524 545279 449486 156305 997969 226978 487991 373177 591020 509388 654103 629121 1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol Esi-9.872001 584718 438975 670688 679518 976125 295629 682708 396246 440006 145423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1-(Indol-3-yl)propanol 3-phosphate 131927 1 18056 105233 1 122654 156320 1 1 66050 134755 1 1 1 1 1 174380 224444 168045 52154 101062 584676 63778 1 1 299990 1 1 1 13704 202172 213744 97662 170512 30288 196274 1-(naphthalen-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone 53632 29935 90663 58366 37915 58330 53358 36937 24730 85047 1 1 1 1 1 1 1 1 1 1 54477 19300 142733 37214 40537 32087 44952 27942 1 41150 48856 48499 51103 52334 48164 45051 1-(O-alpha-D-mannopyranosyl)-(1,3R,25S,27R)-octacosanetetraol 38775 88217 149502 35383 135914 85006 112001 1 78124 84581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1,1'-Bis(2-hydroxy-3-methylcarbazole) 773470 822532 803945 518157 668222 576108 543156 426048 596797 725311 143341 1039447 201248 183224 212792 225786 184960 203557 137432 149322 1 1 1 1 1 1 1 1 1 1 473219 507705 1287805 1746382 1516671 1608876 1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene 102918 102365 106839 119148 82574 146324 97347 110407 109127 115098 101157 217290 92751 137047 95765 88635 88015 123487 111994 134664 1 1 1 1 1 1 1 1 1 1 1 132990 146886 124218 92367 164384 1,2,3-Trichlorobenzene 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185393 2275249 629301 1289408 52918 818583 284840 536511 1450721 1010162 1 1 1 1 1 1 1,2-Di(2-pyridyl)ethylene 1 1 1 1 1 1 1 1 1 1 1 105979 86163 124782 160964 33556 101035 166215 1 149050 209490 158490 290586 1 120170 127716 201488 186670 139611 128562 1 1 1 1 1 1 1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridine 1 1 1 1 1 1 1 1 1 1 166053 34262 20611 31133 38575 13717 67008 42100 30584 20677 22160 36443 52637 251386 195236 141962 24559 37130 26959 30850 52955 98372 71714 69758 72437 44628 1,2-Distearoyl phosphatidyl serine 34603 1 1 89790 75762 78004 38220 96018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1,2-Glyceryl dinitrate 267030 8826 498344 653103 12256 707116 328217 196730 4711 420325 41336 18697 83304 1 1 61373 282335 184705 1 305315 462732 25593 1 168188 1 15509 482704 45114 23269 5276 200842 192536 131302 249477 252367 190205 1,2-Glyceryl dinitrate Esi-1.2638462 19601 6709 55183 577478 1 142514 633665 37864 1 714609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192536 131302 15182 252367 190205 1,2-Glyceryl dinitrate glucuronide 78506 37140 126379 73036 50517 80631 71931 35864 22968 111656 59251 37438 39539 43023 37455 45768 46677 37384 30781 44781 73949 22285 178836 44040 41794 40246 52774 30802 43557 50084 62307 59690 62880 54958 56539 65215 1,3,5-Trihydroxy-10-methylacridone Esi-5.972 30794 16045 67691 33662 23427 29317 1 1 18244 47480 1 1 1 1 1 1 1 1 1 1 24479 12272 73318 22716 1 18934 51111 1 26521 1 1 1 1 1 1 1 1,3,5-Trihydroxy-10-methylacridone 95965 100593 88195 60057 37996 68083 49763 77082 89969 50316 24305 57847 53789 68584 57136 37335 64379 62894 67051 50777 41037 66428 81878 39865 72834 85527 48528 39484 74522 43506 35594 70567 72716 66655 75217 73785 1,3-Dinitropyrene 112260 1 67731 79490 21560 98576 74092 78327 1 31019 1 1 1 1 1 1 1 1 1 1 137832 35217 279078 38077 41789 1 62222 74756 61331 1 48434 50080 33742 127617 120870 51393 1,4-Benzenediol, 2,6-bis(1-methylethyl)-, 4-(hydrogen sulfate) 1 56176 1 1 1 1 1 1 7653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1,4-beta-D-Glucan 7194 3645 1 3364 415434 667618 1 1 8224 3831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1,4-Bis(chloromethoxymethyl)benzene 2979327 232126 2291860 1053518 1922560 2282392 4318223 70302 726879 1517667 5444515 24135 947439 558512 460145 264261 1243429 14541 1 338983 2418569 2124315 582533 257979 1546261 726220 1867319 340143 1544809 636092 520916 1624344 1842301 1539728 917734 1214857 1,5-Diferuloylquinic acid 1 1 1 1 1 1 1 1 1 1 1513833 152301 923042 1567800 2081173 1032660 393206 587383 1163156 1731555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43331 57188 58257 54811 45062 40827 1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-phenylcholecalciferol 1 1 1 1 1 1 1 1 1 1 1 55745 102369 68594 55900 95471 106877 37707 96972 124816 1 1 1 1 1 1 1 1 1 1 6962 28265 121662 139408 28320 128984 1?,25-dihydroxy-24a-homo-22-thia-20-epivitamin D3 / 1?,25-dihydroxy-24a-homo-22-thia-20-epicholecalciferol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106073 1 1 1 1 1 1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25-dihydroxy-25,25-diphenyl-26,27-dinorcholecalciferol 1282360 1 3378507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1?,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norvitamin D3 / 1?,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norcholecalciferol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1?,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxavitamin D3 / 1?,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxacholecalciferol 1 1 1 1 1 1 1 1 1 1 145789 784969 147681 241468 88229 40698 620195 155935 376856 155168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1?-hydroxy-2?-(3-hydroxypropoxy) vitamin D3 / 1?-hydroxy-2?-(3-hydroxypropoxy)cholecalciferol Esi-18.329 1 1 1 1 1 1 1 1 1 1 94363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1?-hydroxy-2?-(3-hydroxypropoxy) vitamin D3 / 1?-hydroxy-2?-(3-hydroxypropoxy)cholecalciferol 574327 301689 222662 564701 767141 222475 1011393 605198 91785 130622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357589 779659 478027 530221 125695 248957 1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol 447371 149284 538085 156402 588773 517647 529408 186614 158917 347861 487268 377972 255626 173628 244332 365272 261844 425022 313522 397817 459419 154599 382690 354488 261153 286425 214101 309385 387574 255231 646655 581508 454500 396626 306432 270914 1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol Esi-21.0028 1 123475 1 1 1 1 1 27167 58908 1 1 1 1 1 1 1 1 1 1 1 1 89908 7067 1 1 1 1 1 1 1 1 1 1 1 1 1 1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol Esi-20.962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89908 7067 1 1 1 1 1 1 1 1 1 1 1 1 1 10S-HODE 1 1 1 1 1 1 1 1 1 1 31938 768979 132877 300363 394543 23252 130501 483125 468631 317014 1 803718 117387 256864 523319 504063 119900 454830 500897 98550 251656 189284 262719 272470 243802 304409 11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate 37103 61055 1 1 15717 1 23526 7979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11,12,13-trihydroxy-9-octadecenoic acid 115130 94707 86093 233655 424981 189231 192724 52463 22948 47586 85673 153349 193598 174426 198369 547077 94846 54431 70787 179300 384771 169634 194798 167828 76950 282572 148041 68741 196884 70540 95878 173580 208013 121225 193161 216674 11-O-Demethylpradimicinone II Esi-1.17 28299 1 14698 42452 5808 30143 58919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11-O-Demethylpradimicinone II 1 1 294382 299373 307227 1 225760 95261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403936 202969 1 1 1 1 12(13)-EpOME 1 119445 1 1 63571 10738 5465 46442 200933 1 1 337905 35286 14273 129132 1 174392 174701 158084 59645 1 1 1 1 1 1 1 1 1 1 39926 69961 86922 102469 122148 152546 12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25172 1 66224 80601 39211 58411 8537 19961 21548 1 1 1 1 1 1 1 12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione 1840878 792003 1753345 1237219 744473 1130576 932192 894736 747435 1117333 679533 772769 980612 907153 1159830 631678 914800 878055 981043 661922 585304 613606 1437920 833181 747216 505466 830980 562653 573767 697694 1305553 886273 785628 798566 782597 832182 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one 55634 70333 46069 26156 9921 27013 1 38306 54391 16346 26026 33318 23512 40285 26449 8489 34583 31521 40235 38677 11927 47850 59983 47627 55766 62777 21880 1 46534 16601 38553 42671 37852 46536 42697 45580 12alpha-Methylpregna-4,9(11)-diene-3,20-dione 52130 126929 89572 78717 107261 73221 94228 119853 159537 172651 94494 43197 91361 80834 84073 91249 92367 67513 74627 83140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12alpha-Methylpregna-4,9(11)-diene-3,20-dione Esi-15.2185 77300 76358 99334 86020 2947 74411 68105 77865 49052 91170 119367 83944 100625 109505 114941 30258 90968 101003 88225 29479 33964 52121 226013 84536 81002 38944 26884 50462 38387 27448 1 1 88336 76800 103085 101854 12R-HOME(13Z) 708296 460589 988152 319444 504725 942354 561054 689597 542034 774514 1 1 1 1 1 1 1 1 1 1 378326 573006 1379392 559923 504707 440969 322215 431232 352995 371430 1 1 1 1 1 1 12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid Esi-15.246286 1 1 1 1 1 1 1 1 1 1 129344 4.63E+07 156434 5.17E+07 160320 4.34E+07 113804 65762 5.11E+07 4.37E+07 1 1 1 1 1 1 1 1 1 1 94746 1 5.08E+07 1 520552 106199 12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid 352362 10121 332443 70964 138886 69455 138109 108522 122870 157339 1 1 1 1 1 1 1 1 1 1 131219 95198 165469 103724 83683 58672 95504 80130 1 59984 81086 105544 133716 1 128225 1 13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester 1 1 1 1 1 1 1 1 1 1 77780 83894 46416 124913 133000 127303 58134 76941 78661 89149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13-(2-Methylcrotonoyl)oxylupanine 23788 13483 43170 40520 48215 91780 33199 48565 40962 92808 44830 32108 74586 27824 21930 20592 34047 37251 31074 23316 46664 27124 106579 61095 39104 25766 30067 45667 45796 1 46468 52464 51894 51385 53912 50709 13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4 29083 116848 19065 33527 37294 34751 46363 94063 92008 28868 1 1 1 1 1 1 1 1 1 1 1 102557 26464 125187 75605 62415 48266 47856 35753 41660 47066 49900 48811 53687 46225 69336 13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4 Esi-7.218078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24779 8961 13571 186276 32745 55530 1 1 10845 35707 36538 40371 50058 34301 37525 13-Dihydrocarminomycin 205810 35948 166373 111654 94054 113762 120308 92970 62886 46881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96792 77876 40046 26079 31388 30033 14,14,14-Trifluoro-11E-tetradecenyl acetate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208862 233216 382767 155391 365917 289259 14,14,14-Trifluoro-11Z-tetradecenyl acetate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2028 1 14,15-HxA3-C(11S) 1 1 1 1 1 1 1 1 1 1 1 1 4178354 3852337 1 3503646 4092271 3695242 3846562 2418893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14,15-LTC4 1 1 55073 1 1 1 1 235497 1 1 115642 86827 469708 411845 304502 53456 79691 425936 57672 129381 407404 645229 150990 441920 482347 503499 445600 522195 398850 50384 760185 794467 600467 583511 548467 673088 14,19-Dihydroaspidospermatine Esi-19.115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 730613 1 1 72028 1 1 14,19-Dihydroaspidospermatine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096729 49205 1 4897 1 1 14alpha-Hydroxyixocarpanolide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73516 1 11035 48946 62986 21884 1 49574 61510 1 1 1 1 1 1 1 14-chlorotetracosane-1,15-disulfate 3209741 1319423 4258949 2170714 1865836 2022031 2100692 1952843 1889362 1505619 3170954 1504559 3607128 2095638 1861125 1981338 1520170 2040543 2036579 1508376 2911387 984790 3650938 3840809 2476550 1901678 1884548 1949153 1932732 834987 2714575 2318465 2413063 2470945 2224695 2326727 14-chlorotetracosane-1,15-disulfate Esi-13.981997 4113952 1577269 90486 2650759 2356713 55996 2334726 2473721 2199350 2635701 4241990 1890437 4322046 2540078 2388926 2649488 2159275 2671474 2643311 1791660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15(S)-15-methyl PGF2? isopropyl ester 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115646 53487 112181 111166 114627 110927 15(S)-HETE-biotin 103529 99763 39114 105827 167454 101253 114663 86368 117192 41243 71562 108585 122570 97684 84673 69659 100892 120512 86551 122706 80544 163752 66762 119723 107845 104548 64380 132134 168421 72787 93209 125416 146743 136143 121420 136436 15(S)-HETE-biotin Esi-23.795 1 1 1 1 1 1 1 1 1 1 322749 367433 1 460381 418598 536762 372285 119368 205013 694045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15-HETE-VA 1 1 1 1 1 1 1 1 1 1 140026 206804 67686 1 45156 25365 68797 104453 5874 9203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15-methoxy-tricosanoic acid 1 1 1 1 1 1 1 1 1 1 79430 82412 82341 39013 77024 68773 92990 71043 80017 77282 66742 64178 71733 64420 57505 47642 44598 56814 61363 55544 88017 48620 57853 58690 58222 52931 16:1 Campesteryl ester 1 1 1 1 1 1 1 1 1 1 1 74102 1 111670 1 43601 96411 70220 30089 44923 51644 105390 166745 59690 29517 35787 174067 81678 29989 40997 1 1 1 1 1 1 16?-Hydroxy-17-epistanozolol 1 1 1 1 1 1 1 1 1 1 107511 107737 98396 139767 188908 85763 126876 98276 138959 82472 38952 89545 207404 128656 98088 78583 67502 46706 52561 66927 1 1 1 1 1 1 16?-Hydroxy-17-epistanozolol Esi-14.794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90878 82669 97644 54203 1 94601 32200 1 47046 1 1 1 1 1 1 16?-Hydroxy-17-epistanozolol Esi-15.883 1 1 1 1 1 1 1 1 1 1 1 37951 69255 13865 1 1 18047 34246 60817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16-a-Hydroxypregnenolone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11784 2215 97721 14812 7433 2680 21840 1 6092 17359 1 1 1 1 1 1 16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288233 323633 499819 495692 374032 464318 16-Hydroxy-10-oxohexadecanoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12521 90604 1 8510 1 10361 1 1 1 1 1 1 1 1 1 17,20-Hexacosadienoic acid 41672 1 46968 30504 42661 37089 31259 38711 27397 203705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17,20-Hexacosadienoic acid Esi-20.101692 1 1 1 1 1 1 1 1 1 1 93500 122534 82722 91378 120230 124546 139814 226136 120280 115469 126185 166004 122320 177691 236445 185417 113943 154981 209879 138877 285952 222814 261618 175472 130947 121726 17-?, 21-Dihydroxy-11,20-dioxo-5-?-pregnan-3-?-yl-?-d-glucuronide 1501348 932829 2089038 1183101 1072963 590880 1034850 617227 918510 621788 1399177 1034721 1094869 927611 957496 2067326 1036650 1013620 1117006 1068146 1466534 810534 2309979 1689073 1261886 1034371 879026 859085 696777 435922 2028323 1422712 1873429 1787999 1587452 1684864 17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol 32723 1 77107 51707 37847 55999 82958 21731 21456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53567 35241 1 1 1 12226 17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19460 86667 20203 14276 1 17729 1 1 12473 1 1 1 1 1 1 17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate 155236 89655 118558 76328 64828 73415 89276 76219 100371 14702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17beta-Hydroxy-4-methylandrost-4-en-3-one 796392 543777 873493 681912 436363 535137 559672 556572 507560 631483 588807 457303 616610 539163 654937 409633 517147 503126 511969 405065 401095 458404 1039194 584401 524858 376342 524772 356527 404978 435481 643880 527616 571722 565000 588541 601037 17beta-Pyrazol-3-ylandrost-5-en-3beta-ol 88506 33990 16780 1 90735 45406 1 94186 51104 17068 49445 47273 19485 51004 13401 21198 34157 84212 58164 1 1 1 1 1 1 1 1 1 1 1 181457 168931 60899 77390 97312 83004 17-phenyl-trinor-PGE2 129382 196622 240006 94318 73946 197818 58829 209441 183381 174114 173102 176005 154138 206690 193112 90098 125971 225947 231524 106458 101470 92064 612991 144058 188219 125398 92410 133683 125818 204959 161808 224993 218475 194508 216347 239139 17-trifluoromethylphenyl trinor PGF2? 256258 240208 253317 101093 191596 233658 184014 264609 254136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17-trifluoromethylphenyl trinor PGF2? methyl ester 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51362 1 1 9475 1 1 1 1 11611 1 1 1 1 1 1 17-trifluoromethylphenyl-13,14-dihydro trinor PGF2? 1 1 1 1 1 1 6571 14544 1 120834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18-bromo-8E,17E19Z-tricosatrien-4,6-diynoic acid 76679 107407 145322 21181 44766 89992 17905 78548 96449 81369 106635 88580 80797 119116 119952 18141 74336 121863 122109 35393 70378 71074 362910 143152 133991 69357 69454 80793 58069 140828 57218 83683 94615 113806 123042 115553 18-hydroxypregna-1,4,20-trien-3-one Esi-16.252502 71408 159421 93362 66943 144680 144397 129873 148405 181989 206422 1 1 1 1 1 1 1 1 1 1 136417 118178 138783 132849 108587 124156 137336 128985 110990 104941 1 1 1 1 1 1 18-hydroxypregna-1,4,20-trien-3-one 39918 127902 88624 56856 117380 107419 117732 139464 167828 202362 110598 121995 138140 141135 122616 132680 104356 123406 119614 120403 1 1 1 1 1 1 1 1 1 1 15859 86876 128557 107291 96564 72915 19-Chloro-17beta-hydroxyandrost-4-en-3-one 1 1 1 1 1 1 1 1 1 1 1 11837 1 1 1 1 46025 1 101564 10162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19-Hydroxycinnzeylanol 19-glucoside 929381 752405 1090621 767910 1239050 521278 849921 775240 782829 624601 896154 591007 799039 870441 688227 1264467 714485 687676 602188 856997 954463 665112 1215443 1108552 812919 866472 636516 646487 665500 233884 888096 888354 923764 861416 792563 793398 1b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid 92196 55258 79568 108607 130420 88726 86111 48997 52013 67821 111544 163619 161059 123474 118017 123320 154291 195986 123281 152209 175155 162727 173435 132085 135960 153192 109464 183070 153616 39776 89790 94220 85552 151087 153507 119292 1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline 43853 45138 1 68596 29728 88554 13854 56039 27837 57062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1-Benzyloxycarbonylaminophenethyl Chloromethyl Ketone Esi-5.037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62017 1 1 1 1 1 1 1 1 1 1 1 1 1 1-Benzyloxycarbonylaminophenethyl Chloromethyl Ketone 41553 38066 23956 47651 3925 21015 40667 18703 1 57605 26409 33595 36227 25778 1 28665 38525 1 16320 41497 45409 1 58491 11718 17750 23942 43536 21543 25201 14143 12775 35713 36551 25295 40740 38482 1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- 1 1 1 1 1 1 1 1 1 1 310249 224430 310419 260785 325888 209891 270301 251450 230366 225451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1-epi-Fortimicin B Esi-12.41777 85250 268341 119045 127020 143739 132763 146274 198213 228187 130932 125231 163685 133012 131430 100778 152860 127787 113763 124474 122724 1 1 1 1 1 1 1 1 1 1 127558 108317 102769 97206 97548 98182 1-epi-Fortimicin B 307811 312277 328216 327944 374343 404027 300089 321476 231030 294794 306656 369571 276333 314033 216842 198080 281559 357576 285017 269219 289671 334069 546920 344747 303752 248249 239069 309935 276600 266328 352198 321506 332914 329169 336974 358938 1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 Esi-12.445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127262 1 1 1 1 1 41881 1 1 1 1 1 1 1 1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 275220 75932 345738 381314 264835 488836 466608 287334 176721 122717 120471 181130 97916 124771 79469 104895 137326 170559 161284 143918 151302 16846 137903 85175 127544 148676 67148 125814 48543 29019 432218 404317 95124 87647 93234 40362 1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 Esi-15.548998 1 1 1 1 1 1 1 1 1 1 76088 1 236896 161198 500672 1 185371 112694 1 71893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate Esi-1.7930001 1 1 1 1 1 1 1 1 1 1 101893 171721 728346 1 136331 869938 153636 38936 643201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate 206824 577162 74932 94565 307446 518476 413664 585617 373323 348432 271621 171721 728346 428778 219023 658367 440925 225444 157050 540544 76963 1113482 190056 500053 929925 141469 52531 534695 139350 10622 113133 255275 231049 165087 435990 336565 1-Hydroxycarvedilol 112181 220787 155664 138966 79776 93021 65738 169871 241169 183131 156682 119208 152800 273900 187810 142816 110870 124517 87666 62986 86052 52011 353846 268379 181077 136251 193085 88382 105195 80484 138314 134389 212763 215187 190062 194591 1-Methylhypoxanthine 1 1 1 1 1 1 1 1 1 1 1 146195 1 118243 80258 120464 1 158795 134524 127531 1 1 1 1 1 1 1 1 1 1 70135 69397 63416 74370 1 112144 1-O-[2''-sulfo-alpha-D-Mannosyl -1''-2'-alpha-D-Glucosyl]-sn-2,3-di-O-phytanylglycerol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74366 114565 60315 76574 71687 79460 1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247634 4283 177450 1 1 25229 156341 53787 1 1 1 1 1 1 1 1 1'-O-Acetylpaxilline 17095 4597 47887 17803 8565 13276 14437 1 1 20489 1 1 1 1 1 1 1 1 1 1 27168 4470 91521 1 18254 1 1 1 18583 29504 1 1 1 1 1 1 1-O-Galloylglycerol 1 1 1 1 1 1 1 1 1 1 164828 101848 479469 3635 79639 136766 347744 1 91880 293469 1 1 1 1 1 1 1 1 1 1 163975 1 68370 134459 94003 186256 1-O-Galloylglycerol Esi-0.86399996 1 1 1 1 1 1 1 1 1 1 42036 38541 86903 33209 39885 36360 84522 58534 22232 33297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1-Phenyl-1,3-octadecanedione Esi-19.642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121208 144623 72780 77569 61178 74413 1-Phenyl-1,3-octadecanedione 161698 61915 158860 100196 154398 92636 112361 63891 59689 48488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-(4-Hydroxyphenyl)naphthalic anhydride Esi-7.146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-(4-Hydroxyphenyl)naphthalic anhydride 254492 141738 499433 265226 188321 287655 269196 165506 113870 446423 218392 123768 134864 158750 131215 163089 180519 139592 105245 167419 288196 96247 788390 173122 177035 148940 195447 125065 164156 210279 241467 228798 239607 234967 236742 248896 2-(7'-Methylthio)heptylmalic acid 1 1 1 1 1 1 1 1 1 1 66659 120728 63904 50368 34700 119329 41110 72552 19206 44055 31348 70276 77121 17101 79419 61421 40356 63636 55648 49162 45255 59953 98426 67631 100273 100551 2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine Esi-16.886997 1 1 1 1 1 1 1 1 1 1 97930 44212 158622 50428 53512 88085 87394 51064 22031 47567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine Esi-16.884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160810 120830 111193 26736 48003 74698 63188 68951 51627 47667 1 1 1 1 1 1 2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine 831024 1 60126 1 596355 1182965 584370 1180300 1099485 1655035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-(Acetamidomethylene)succinate 1 1 1 1 1 1 1 1 1 1 3209337 938780 1 2304719 1 2898230 3454137 2121782 1 2642503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-(a-Hydroxyethyl)thiamine diphosphate 24616 21531 29061 51812 42303 18472 79301 87235 28231 41215 77070 58495 54007 41811 40887 11984 21128 39527 79887 45906 129841 168461 209359 102208 126550 48515 39091 188002 81381 9965 1 1 1 1 1 1 2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane 3808956 4662749 7511644 1762736 7559373 1002487 7181243 6675222 5319707 6081774 1 1 1 1 1 1 1 1 1 1 7681093 2946741 1948734 1.35E+07 922933 8304959 7007786 8341814 6711290 1.15E+07 7384747 6733431 1.27E+07 1.06E+07 1.32E+07 8545339 2-(Methylthio)propane 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13873 7531 57499 1 1 15454 20437 9078 3212 6769 1 1 1 1 1 1 2,2'-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol 43391 102344 14006 42751 29945 50490 36479 94146 131802 115894 114421 106247 110774 100194 60194 69560 86218 113848 84579 66240 72593 66369 150108 108310 78899 79641 81592 87077 75534 50973 36217 53868 102396 74747 71558 68748 2,2',5-Trichloro-4-hydroxybiphenyl 952594 1 581663 3931887 4324817 1843145 2650261 2844806 5337290 930003 1 1 1 1 1 1 1 1 1 1 4739611 7754707 951111 1 7430418 7347505 5106600 5224810 1 4469796 1 3608980 2088168 844831 1 2019662 2,2',5-Trichloro-4-hydroxybiphenyl Esi-19.11475 441428 56202 658549 449424 574617 564262 399327 125994 84948 40806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302499 277875 62190 33164 41453 46751 2,2',5-Trichloro-4-hydroxybiphenyl Esi-18.394 345259 973544 388544 601281 407146 549553 309603 189220 1008786 216509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2,2',5-Trichloro-4-hydroxybiphenyl Esi-19.373375 729746 47187 632324 634453 617599 732077 400340 240215 93646 26597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 746450 384248 46427 34365 22034 10581 2,2-Bis(4-hydroxyphenyl)hexafluoropropane Esi-0.66150004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35915 1 1 38362 1 1 8723 1 8342 1 32853 1 42928 39377 83294 1 2,2-Bis(4-hydroxyphenyl)hexafluoropropane 1 1 1 1 1 1 1 1 1 1 62547 31461 23610 200765 1 1 1 1 62131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate Esi-18.447002 1 1 1 1 1 1 1 1 1 1 822230 1252202 841994 955213 719386 573399 871132 1221874 838067 764410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate 1 1936272 1 1 1 1 1 1874263 2344646 1289924 2489166 2735506 2529706 1544360 1136962 3042577 2559400 1802494 2387187 2049299 2256812 2327055 1642064 3165597 2136572 2496686 2452270 1718280 2649215 923395 1 1 2413742 2698590 2588047 2639867 2,3,3-Triphenylacrylonitrile 1 1 1 1 1 1 1 1 1 1 28649 56578 1 41833 29786 30084 44043 46068 33528 34941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2,3,4-Trioxycyclopentanone 45890 68097 19556 65311 59562 29282 56330 23100 43983 62678 52457 77931 29001 68712 80097 42029 95998 55889 83332 83797 45269 82575 1 18632 43962 42010 73092 72426 14687 73566 1 1 1 1 1 1 2,3,7,8-Tetrachlorodibenzofuran 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63631 19286 22332 1 9022 35843 67566 64631 60318 130003 1 1 1 1 1 1 2,3-Dehydrosilychristin 1 1 1 1 1 1 1 1 1 1 274639 20600 52281 13804 62751 15084 29050 50395 76599 37728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2,3-dihydrothieno-Thiadiazole Carboxylate 1 1 1 1 1 1 1 1 1 1 128044 1 187195 1 180146 173190 83282 148752 1 1 1 1 30631 1 1 163205 1 1 239563 593805 1 1 1 1 1 1 2,3-Dihydroxy-4-Methoxy-4'-Ethoxybenzophenone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54463 25691 59929 45519 64841 45880 57629 17118 30939 19631 1 1 1 1 1 1 2,3-dinor Fluprostenol 25110 82678 51500 91018 37202 89617 170047 22070 10920 2236 95496 6839 107401 18641 29837 36165 32475 45309 104876 77879 84974 88986 15212 44273 5453 8137 13595 46639 63549 22859 124284 13914 22152 34264 24356 87185 2,4,5,6-Phenanthrenetetrol 186284 39397 200729 97124 1 84171 1 6246 83351 22679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2,4,5-Trichlorophenoxyacetic Acid, Isooctyl Ester 22084 1 1 30891 59120 42034 69574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2,4-dichloro-N-propylbenzamide 9781 41466 49357 16174 24642 46814 9874 12591 23013 25197 1 1 1 1 1 1 1 1 1 1 36525 29227 76586 39315 24918 25627 4309 2999 14675 78536 1 1 1 1 1 1 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 1 68737 1 30251 73823 23768 38832 46084 73565 1 22848 1 110646 141329 124545 102113 54662 133105 158640 113256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2,4-Dimethyl-2-pentacosenoic acid Esi-20.993261 6033 283275 14391 43071 9419 1 92305 99677 170413 93744 1 1 1 1 1 1 1 1 1 1 92283 83031 80230 3429 31188 130112 71613 102326 3433 6312 1 1 1 1 1 1 2,4-Dimethyl-2-pentacosenoic acid 65625 276363 9644 16527 9173 1 92695 98793 170011 102778 87743 89829 100721 29222 78280 77952 109563 16821 87346 111256 15527 235858 79967 41119 47190 21688 22510 101983 1 62129 1 1 1 1 1 1 2'',6''-Di-O-acetylononin 31378 21395 1 41485 22924 52925 28085 39399 11895 45629 12869 13801 15725 20052 22477 1 25574 30131 21622 23160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-[(Isopropylthio)methyl]furan 681406 167500 959803 820212 1 791105 927554 230614 398024 1397401 316064 147566 191246 8149 384078 327460 208027 411288 184269 235111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1 1 1 1 1 1 1 1 1 1 13791 54158 52980 13227 22096 37341 8315 46206 31921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol 1 1 1 1 1 1 1 1 1 1 3145148 3916268 2612259 4245315 2831728 4402546 3307763 2779446 1605671 4652624 2982095 5757699 2518091 2572918 3014816 4406242 2198679 3337740 3306014 1615012 1 1 1 1 1 1 22:2(5Z,9Z)(13Me,17Me,21Me) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10651 62797 19397 5296 5889 6749 1 7425 8633 7288 1 1 1 1 1 1 22:3-Glc-Stigmasterol 83542 56116 28202 40190 52991 76604 42081 66133 56862 68028 48454 63927 52926 42019 47149 44022 45531 50523 48557 43599 57244 65461 127767 61827 70079 54941 51224 51743 62382 55287 54994 78120 63551 66623 66414 67691 22-Acetylpriverogenin B 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194397 167338 182640 181918 182915 186387 22-epi-Hippurin-1 1 1 175094 1 1 1 198203 1 1 1.19E+07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22-keto-26-Hexacosanolide 1 1 1 1 1 1 1 1 1 1 241474 428118 327327 226664 165093 301414 545815 443013 371886 328716 1 1 1 1 1 1 1 1 1 1 250077 466022 341614 354057 337203 271667 22-Oxo-docosanoate Esi-19.509 10616 1551 11309 16007 43695 22867 24566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22-Oxo-docosanoate Esi-20.011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13449 13284 23558 17822 18966 11909 22-Oxo-docosanoate 46012 14364 49371 28499 33915 18905 31991 19783 21365 14380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23-trans-p-Coumaroyloxytormentic acid 479098 465487 563699 346615 286757 270222 309471 340779 411472 366700 1 1 1 1 1 1 1 1 1 1 282148 380863 743760 473122 429151 306200 359796 227644 320388 227685 1 1 1 1 1 1 24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homocholecalciferol 1 50636 1 1 1 283275 312885 60327 85773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?,25-dihydroxycholecalciferol 405185 127702 433503 286035 328865 334362 372725 129229 1 128364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356344 220668 162950 152429 1 1 24,25-Diacetylvulgaroside 1 305613 1 273329 1 1 673140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24:2(5Z,9Z)(11Me,15Me,19Me,23Me) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4611 83638 1 1 2038 1 1 6597 1 1 1 1 1 1 1 1 24-Acetyl- 25-cinnamoylvulgaroside Esi-16.903997 1 1 1 1 1 1 1 1 1 1 618027 1749145 423169 595004 502252 268903 1815159 1791061 1853556 1952794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24-Acetyl- 25-cinnamoylvulgaroside 1 1 1 1 1 1 1 1 1 1 1207957 720271 753257 1134121 970164 1290485 836478 494214 824528 818953 1064684 816930 940501 880423 713239 928893 802617 445712 786328 739319 1507729 1527933 838135 854725 821371 1 24-methylene-cholesterol sulfate 1182172 1053494 583165 825298 1460384 505767 987596 265066 1324768 528062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425381 596019 1015765 871639 1138267 25-Hydroxycholecalciferol (25-hydroxyvitamin D3) 1 1 34594 1 61704 32640 1 1 10047 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26,26,26,27,27,27-hexafluoro-1?,25-dihydroxyvitamin D3 / 26,26,26,27,27,27-hexafluoro-1?,25-dihydroxycholecalciferol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022180 624263 904685 911097 674941 884268 26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-11.429 14789 1 11050 304133 366125 136771 16925 1 1 44932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-10.2890005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197385 144968 215916 65274 82506 164197 148585 28785 55747 100865 1 1 1 1 1 1 26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-10.198999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197503 630989 466943 321923 82019 164551 148472 335673 55747 388525 1 1 1 1 1 1 26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol 66899 42369 20921 801562 840096 463995 172978 247258 42455 178158 578433 899736 260710 67806 213123 853456 342067 414901 33027 56159 197475 630989 465632 333750 82590 164197 148506 335475 55747 389648 424303 147827 437579 422744 415134 440259 26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-11.430093 14771 1 11144 308882 366125 136130 18689 1 1 40023 1 1 1 1 1 1 1 1 1 1 32918 1149391 271885 1 49953 62966 122033 366154 39473 51728 269957 113880 151634 265103 283309 279301 26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.06 1 100165 1 1 1 1 252165 195768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.547 1550855 1 1 1 665217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.567 1 1 1 3295395 5249322 4090134 4275211 3214509 1 1563613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26-Hydroxybrassinolide 639708 251087 445367 1 949830 278628 1 960221 900903 133094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26-O-beta-D-glucopyranosyl-22R-methoxyl-(25R)-furost-5-en-3beta,26-diol 3-O-alpha-L-rhamnopyranosyl-(1-2)-O-{[R-L-rhamnopyranosyl-(1-4)]-O-[alpha-L-rhamnopyranosyl-(1-4)]}-beta-D-glucopyranoside 679247 577498 586042 535959 297545 443528 561417 519181 553257 662907 588792 634925 585288 456979 409638 487314 516151 636592 644550 411845 488631 431649 578227 545484 533477 478811 489131 453533 432697 517020 617593 516749 545482 511720 463878 529947 28:7(n-6) Esi-22.012001 1 345368 1 1 1 1 1 80035 126814 1 1 1 1 1 1 1 1 1 1 1 1 142766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28:7(n-6) 1457418 1.99E+07 1598031 1529534 1517022 1502983 1534154 7138113 9904353 1247365 1448448 99073 1367602 1461164 1424066 99085 1294309 1387952 1427036 1437039 1 1.23E+07 1 1379225 1 547348 1 1 1 1 1 1 1 1 1 1 29:2(5Z,9Z)(6Br) 1.31E+07 9597172 1.43E+07 1.09E+07 1.37E+07 1.11E+07 1.11E+07 1.10E+07 1.21E+07 8575275 1.27E+07 1.08E+07 1.27E+07 1.20E+07 9946104 1.27E+07 9589659 8300438 1.01E+07 1.07E+07 1.07E+07 1.00E+07 1.06E+07 4994710 1.04E+07 1.20E+07 8622355 8349905 1.03E+07 9541041 1.30E+07 1.27E+07 1.17E+07 1.11E+07 1.14E+07 1.12E+07 29:2(5Z,9Z)(6Br) Esi-14.901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9655647 2.76E+07 2.49E+07 2.62E+07 9823607 2.23E+07 29-demethylgeodisterol-O-sulfite 498002 594487 860749 180741 638924 448175 309378 598710 1 310731 787751 504848 809828 656570 612074 764902 470681 408370 529270 1 649263 663407 762926 531205 495460 707303 463130 537141 517696 663063 454688 566463 648324 761240 611686 549496 2-Acetolactic acid Esi-21.026 1 49052 1 1 5357 1 1 1 60802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Acetolactic acid 84466 90581 254001 314632 1 436717 293408 1 1 595995 1 1 1 1 1 1 1 1 1 1 229014 113991 539866 202244 134176 132325 265129 1 144981 37003 215279 205607 47083 207061 211507 210105 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate Esi-14.866998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26012 654823 68954 305378 402512 233595 95218 271830 454851 199171 136262 232674 293065 275972 142983 267820 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate 1 1 1 1 1 1 1 1 1 1 27070 706671 193592 152824 324775 69427 46689 406929 341500 323955 26012 655744 68954 305378 413790 233595 95218 226781 458763 199171 96114 232674 270880 275972 142983 267820 2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol 1 1 1 1 1 1 1 1 1 1 451659 522601 538598 453682 358902 720113 460673 322394 350075 508932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Amino-1,2-bis(p-chlorophenyl)ethanol 137250 66940 246431 130230 82705 139313 129557 80575 50931 215505 95330 58608 73026 71460 67868 87119 80376 64711 56891 84518 128729 46007 357872 80041 80483 73785 99595 1 79759 100409 122437 110093 124413 114339 106987 110262 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-5.9999514 1 39779 10646 1 1973 6920 6514 18721 43089 1 9793 42711 19059 15587 22000 1 1 31520 32419 16530 1 1 1 35244 32551 39761 1 29747 35584 41306 1 1 1 1 1 1 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-6.372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine 40035 46562 40532 49612 26091 40027 50067 26315 33207 111419 32558 49877 10719 12107 24016 27688 34920 51048 45995 35550 12584 31660 174989 27036 27286 41614 41387 31859 74157 17752 49725 94935 57072 56837 91387 59860 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-8.364308 30610 47928 7307 29819 29028 31370 21306 61922 29162 30165 1 1 1 1 1 1 1 1 1 1 23868 28058 37636 44788 50305 47007 22802 46982 40900 133063 28753 29249 40689 35737 29518 32614 2-Amino-3-oxobutanoate 1141257 385923 932293 1013732 630820 933882 861083 527110 433270 674095 1098632 847312 384737 1 207094 528207 552572 807945 954435 905455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-APB 1 1 1 1 1 1 1 1 1 1 1 10368 1 1 1 1 40955 6630 35069 12621 3692 20405 1 18261 34142 13750 7789 1 15383 1 1 1 1 1 1 1 2-Arachidonoyl Glycerol-d8 1 1 1 1 1 1 1 1 1 1 1 66174 31753 23099 1 22947 52180 25251 28109 31143 1 1 1 1 1 1 1 1 1 1 166501 118242 31049 33266 42931 22281 2-Butyl-1H-benzimidazole 1 1 1 1 1 1 1 1 1 1 134113 1 138215 112351 147753 88723 96498 138134 1 126418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Butylbenzothiazole 1 1 1 1 1 1 1 1 1 1 15062 14106 37472 16856 22311 23296 28268 20898 31491 24441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-carbazol-9-ylbenzoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180260 73781 61611 1 60136 61889 146688 29498 66052 183279 1 1 1 1 1 1 2-Chloro-1,1,1-trifluoroethane 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199185 1 129051 1 173305 214164 277792 1 1 1 1 1 1 1 1 2-Chloro-1,1,1-trifluoroethane Esi-0.85225 1 1 1 1 1 1 1 1 1 1 232530 256263 87699 173102 48364 154930 228106 344803 257812 249150 1 1 1 1 1 1 1 1 1 1 201996 149107 231781 211517 243464 230229 2-Chloro-1,1,2-trifluoroethyl ethyl ether 1.08E+07 2218689 1350485 6410337 3961708 1.43E+07 1.02E+07 7581378 5490148 281749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4850723 4632672 4610067 5950394 7205172 7077428 2-Chloro-1,1,2-trifluoroethyl ethyl ether Esi-1.2605551 1551818 2745522 1768299 1691800 1863128 2346891 2203645 2894744 1024351 6332552 1049191 3032679 501321 1932990 983499 3235243 433869 3364638 3106738 925948 747423 209577 2066598 484374 5359967 3295363 1885945 2051581 4226004 2621292 2713780 756796 2638694 2495336 2157836 2884913 2-Chloro-1,1,2-trifluoroethyl ethyl ether Esi-1.5084999 1 1 1 1 1 1 1 1 1 1 9666498 2181470 2020351 3582430 4570634 4392731 7596078 3502411 4615571 2775660 4462127 176460 335732 881005 5359967 3295363 7422374 495101 4226004 2621292 1 1 1 1 1 1 2-C-Methyl-D-erythritol 4-phosphate 1 1 23808 131724 116901 8134 96497 55846 18822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone 161337 116476 187341 176216 190101 157889 180367 177897 147440 99077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188182 270257 142725 118552 123440 136339 2-demethylmenaquinone-8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 680496 606603 740244 780680 625791 626505 2-deoxy-20-hydroxyecdysone 22-phosphate 1 1 1 105494 54157 49858 1 29791 1 1 87684 85448 1 1 28182 90495 48240 50437 1 1 1 77655 53334 39295 1 20693 9638 1 1 54957 51040 18025 54765 46119 56714 45451 2-deoxy-20-hydroxyecdysone 22-phosphate Esi-11.433553 1 1 1 173143 187334 79791 1 1 1 1 378138 327169 1 1 1 76726 1 171104 1 1 24608 525908 253696 64179 1 1 69055 196535 1 14993 147975 69584 98067 160763 155305 162092 2-deoxy-20-hydroxyecdysone 22-phosphate Esi-10.612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240117 117059 1 1 1 13561 88964 1 1 1 1 1 1 1 1 2-deoxy-20-hydroxyecdysone 22-phosphate Esi-11.438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527032 159848 1 1 1 69522 193879 1 16984 1 1 1 1 1 1 2-deoxyecdysone 22-phosphate 1 1 1 1 1 1 1 1 1 1 21290 55124 1 1 24613 121465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-deoxyecdysone 22-phosphate Esi-13.526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114947 83729 1 1 1 1 21029 1 1 1 1 1 1 1 1 2-Dodecylbenzenesulfonic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112363 148255 1 281207 272116 139658 122740 151906 158389 257352 1 1 1 1 1 1 2-Ethoxythiazole 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2685814 600708 2344900 658761 375319 386950 841904 323350 509959 975015 1 1 1 1 1 1 2-glyceryl-6-keto-PGF1? Esi-11.426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 647442 259844 1 1 1 69943 195586 1 45031 1 1 1 1 1 1 2-glyceryl-6-keto-PGF1? 1 1 1 89330 68470 54928 27185 32422 1 9203 54337 82299 1 12265 1 64097 31969 41077 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Heptenedioic acid, 4-oxo- 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 656922 3757049 3734413 3682693 3937893 3626070 2-Hydroxy-22-methyltetracosanoic acid 34909 20425 31901 33314 42455 33832 37538 28990 28426 28777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Hydroxy-22-methyltetracosanoic acid Esi-20.554382 1 1 1 1 1 1 1 1 1 1 40165 39073 37939 29242 31059 34133 39405 37032 28968 43643 37697 35674 32361 32923 32347 42375 25291 32440 39548 31934 48231 46216 44103 36053 36018 33584 2-Hydroxy-24-keto-octacosanolide Esi-21.0155 1 74241 1 1 1 1 1 16617 31171 1 1 1 1 1 1 1 1 1 1 1 1 39885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Hydroxy-24-keto-octacosanolide 448936 48903 162890 612145 814178 150882 654827 182064 41443 512849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362030 492903 539970 510195 499000 474604 2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid 52374 60674 1 9568 1 1 23449 1 22688 1 1 1 17118 6757 14625 18662 19488 1 100369 11922 24248 1 1 1 55123 1 1 1 1 1 1 1 1 1 1 1 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate 104583 1 133321 45498 99064 117317 64498 84515 735593 212573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Hydroxyhexadecanoic acid 97204 764649 8735 72181 55755 111159 16573 359430 370010 146194 81752 812370 367069 146084 538272 78486 309504 521791 429485 353718 77297 872844 166434 295946 968947 663754 226760 942247 442809 249858 497201 152940 549221 578262 233047 486237 2-Hydroxymyristic Acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11971 36794 92285 64821 67603 19505 46082 23758 59456 35576 21184 21646 27269 30387 33653 20011 2-hydroxy-nonadecanoic acid 18538 10566 87019 41553 89872 71860 65935 7494 22465 12052 13915 29526 17988 23635 20412 30770 28804 22096 27150 1 35746 1 56014 14006 28672 28773 28875 29737 29870 1 67024 52610 39127 15207 33638 18046 2-Hydroxytenoxicam 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72711 17824 152528 25161 40902 33293 52380 31175 40979 41803 1 1 1 1 1 1 2-hydroxy-tricosanoic acid Esi-21.992998 5696 26823 1 2258 6426 1 2901 10672 11199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-hydroxy-tricosanoic acid 95145 41065 87872 83923 134686 89788 87635 41607 47594 40686 41603 55377 46604 39975 24686 41496 53218 50318 35779 57304 47069 56262 45236 53018 53286 63253 28875 43314 58361 40703 60619 82042 44255 56550 49015 49125 2-Imino-4-methylpiperidine 2543 41330 1 6628 1 1 15837 55288 65637 1 1 1 1 1 1 1 1 1 1 1 1 122326 1 53641 1 1 1 15041 12971 1 1 1 1 1 1 1 2-Keto valeric acid 1 1 226577 1 1 1 1 33023 1 117571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Methyl-4-oxopentanedioic acid 306999 174682 1649637 1403625 437732 1766315 1273059 478246 310099 649138 1 211940 1 1 228656 401576 714473 824146 1 645685 1071191 88795 1165501 762204 390996 333048 1666662 646334 1 1 745774 694937 612921 423005 649686 595395 2-Methyl-4-oxopentanedioic acid Esi-1.251 458163 308525 1649572 1405803 1 1772492 1272862 478246 310099 649138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Naphthaleneacetic acid, 6-(sulfooxy)- Esi-1.52 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18089 1 8927 1 1 1 2-Naphthaleneacetic acid, 6-(sulfooxy)- 20567 76633 61897 20805 161629 22203 1 40828 56908 184204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-O-(beta-D-galactopyranosyl-(1-6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic acid 38071 36512 139104 212004 35702 158833 135533 102753 93245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35714 61816 30460 19343 2-O-Caffeoylglucarate 132731 1 82275 167007 53663 97231 14928 45397 1 80832 54005 3134 1 1105 1 23922 61187 15562 1 1 6258 4972 138419 20266 1 1 52966 26127 1 18710 60953 20772 104389 6799 75231 9681 2-O-Galloylgalactaric acid 192490 267415 1 1 137471 139556 223874 129280 39458 46107 624296 97011 156320 30560 92677 278700 4141 54199 112308 185808 1 1 1 1 1 1 1 1 1 1 102136 122781 58449 1 106744 81858 2-O-p-Coumaroyltartronic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139368 57937 161464 80289 93541 51158 103132 67281 140272 1 1 1 1 1 1 1 2-Oxopropyl-CoM 186464 149923 47590 304198 193911 153112 167863 47696 30861 116512 1 1 65426 1 1 1 1 1 1 122249 135893 200677 335208 217589 129843 30356 283215 204499 280141 165791 215931 317831 120791 54235 80756 407514 2-Phenylethyl octanoate 293649 299895 345434 235451 316068 244800 259478 255191 302791 245107 351658 276167 338698 324860 282279 331630 196277 237595 270895 299105 136671 259817 260427 304787 290183 251654 229457 197634 258358 257538 196161 300082 318937 307891 215809 295526 2-Phthalimidoglutaric acid 93668 1 1 114969 79904 152418 1 31873 1 142909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Propylglutaric acid 1 84214 1 1 3948 1 1 12670 41889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Stearyl citrate 1 1 1 1 1 1 1 1 1 1 130703 27703 253985 1 78258 1 121341 57451 1 17556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-trans,6-cis-farnesyl diphosphate 61131 1 62395 45744 59064 53831 48400 8690 7126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-(2,5-Dimethoxyphenyl)propanoic acid 79525 113729 65094 68019 81562 63349 56296 65220 107953 37198 93213 106231 95455 73110 71540 80364 78338 74861 140950 89747 143264 144756 68589 70284 76028 100081 44320 62918 78660 73736 96492 85753 91275 80400 89458 91635 3-(2-Furanyl)-2-propenal 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102792 110091 107090 97298 67749 102717 116090 112440 107161 114289 1 1 1 1 1 1 3-(Isothiocyanatomethyl)-1-methoxy-1H-indole 59802 20325 39872 19994 65454 47836 62038 17441 1 17164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile 128432 1 78536 214783 43955 89909 74845 1 1 89430 1 1 1 1 1 1 1 1 1 1 61351 2579 160484 1 1 1 1 1 1 1 1 1 1 1 1 1 3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile Esi-4.29 89993 1 103310 102376 44545 112319 98680 1 1 78511 1 1 1 1 1 1 1 1 1 1 68951 1 146707 1 1824 1 1 1 1 1 1 1 1 1 1 1 3,3'-Bisanigorufone 157755 33287 198401 138691 182704 171779 172498 79473 66846 35403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123572 117411 19541 31924 30220 29080 3,3'-Dichloro-4,4'-diaminodiphenyl ether 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37236 71431 1 1 1 47389 3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39888 23827 28790 18987 1 35531 5934 9187 39239 4195 1 1 1 1 1 1 3,3'-Dimethoxybenzidine 118158 67504 107007 88163 314494 147731 187543 120860 37240 129217 492049 184419 84644 93242 94034 340503 141781 60698 81196 108180 151994 274220 105989 106952 97831 160783 125630 79530 294269 11746 142542 283916 130753 139985 197460 115051 3',4'-Anhydrovinblastine 137889 38504 139267 109815 60037 72529 88089 62368 47209 41950 45497 33145 45487 40823 53588 23545 37821 34978 31972 22295 21810 26612 127637 54934 41580 1 45160 19937 18180 27163 1 1 1 1 1 1 3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29160 50445 1 25663 1 1 40240 17036 1 30109 1 1 1 1 1 1 3,4-Methylenedioxybenzoic acid 1 88404 1 1 1 1 1 22627 36189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide 66148 59858 121750 84620 56794 76266 71683 42974 53105 95483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2752025 2801707 2186383 857552 1006567 1035216 3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid 31595 15282 61283 53789 12963 1 47663 17202 10848 56719 1 1 1 1 1 1 1 1 1 1 9215 1 356519 34070 24731 14962 1 27566 20954 56413 31018 31752 32743 33663 33487 33544 3?,6?,7?,12?-Tetrahydroxy-5?-cholest-24-en-26-oic acid 72413 342167 1 27677 1 1 1 191430 350524 1 198730 180909 296395 74488 26543 176001 119401 116587 193418 117659 348353 397512 1 439973 211015 87884 120871 146397 1 196962 1 88062 102365 258277 174859 141639 3?,6?,7?,12?-Tetrahydroxy-5?-cholest-24-en-26-oic acid Esi-16.144 101625 237272 1 1 55013 1 177584 127009 218384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3?-Hydroxy-5?,6?-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al 153930 98201 96196 132606 164146 166708 87672 116428 222743 54478 227107 361191 311362 182704 180370 252315 151131 154038 190437 305989 193820 458030 60340 97843 197016 247922 137583 231994 202166 122860 213201 219795 153151 168971 191197 206315 3-?-Hydroxydeoxygedinin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8476 1 328569 49684 1948 1 5722 1 1 1 1 1 1 1 1 3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol 87894 20338 42311 15858 135884 47172 34419 2300 31259 86030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32,35-anhydrobacteriohopaneterol 319550 637447 622453 479300 490114 530666 601796 495607 551603 609713 575282 781914 604014 751687 669885 540497 716239 667075 672181 788537 745909 655956 818126 364049 690317 579542 727651 687065 423564 700220 209469 392737 576649 374944 743504 779341 32:5(14Z,17Z,20Z,23Z,26Z) Esi-22.019249 1 58648 1 1 1 1 1 14843 25395 1 1 1 1 1 1 1 1 1 1 1 1 46812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32:5(14Z,17Z,20Z,23Z,26Z) Esi-21.008463 180063 332135 194457 197293 217628 180145 207831 90068 185000 188984 234018 386941 307796 196106 182961 247975 204564 153890 186722 213085 1 1 1 1 1 1 1 1 1 1 86294 256621 202957 236720 251184 206934 32:5(14Z,17Z,20Z,23Z,26Z) 180063 808519 194239 197293 215052 220988 207831 274811 481464 188984 1 1 1 1 1 1 1 1 1 1 214370 768427 200895 215923 190824 297087 184961 234550 244600 126084 83823 256447 213370 236210 251534 271016 34:6(16Z,19Z,22Z,25Z,28Z,31Z) Esi-22.015 1 134642 1 1 3293 1 1 26306 53713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34:6(16Z,19Z,22Z,25Z,28Z,31Z) 49682 308117 52929 66898 71665 52188 49288 108770 197891 32076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34:6(16Z,19Z,22Z,25Z,28Z,31Z) Esi-21.001324 104897 139326 52929 40237 71665 54908 50549 28351 75728 32362 126440 105749 192832 43535 55883 145702 90486 53128 52509 139554 114637 153799 52421 70872 45924 71957 26533 30581 80242 80489 1 1 1 1 1 1 35-aminobacteriohopane-31,32,33,34-tetrol 1 70538 1 1 1 1 1 21325 31761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36:6(5Z,9Z,12Z,15Z,18Z,21Z)(34Me[S]) 686241 643171 1148358 818092 1241764 1130847 1108779 794088 1023958 683119 1 1 1 1 1 1 1 1 1 1 1469753 768051 789643 247758 1295223 1381059 884992 1193508 397529 580783 1072825 614065 1240348 1083926 1293889 1337949 3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid 321970 1 1 888743 1 1 1 1 1 185695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide 1 1 1 101233 55008 54460 1 25939 1 16248 51679 90182 18152 1 13408 82326 31594 41013 1 1 12768 63626 77768 23936 1 1 13856 29656 1 34730 1 1 1 1 1 1 3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide Esi-11.4330015 1 1 1 1 1 1 1 1 1 1 233186 204394 23140 1 1 51523 14425 95093 1 1 10182 376469 159284 1 1 1 52655 133181 1 1 130090 52309 97143 113672 114565 126596 3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide Esi-11.433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288935 117941 1 1 1 35566 100688 1 1 1 1 1 1 1 1 3alpha-Hydroxy-5beta-chol-14-en-24-oic Acid 111501 77483 112938 98722 50112 57092 66211 62447 60988 57722 90547 58726 92411 85315 88733 74420 89019 60782 80468 52227 44628 46052 111255 91745 69346 45121 73753 35488 51487 26912 50262 62442 84843 82089 78259 91773 3-Amino-4,7-dihydroxycoumarin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148944 20333 130906 61687 99571 103471 117709 117372 91783 28066 1 1 1 1 1 1 3b,15b,17a-Trihydroxy-pregnenone 157760 127686 165207 145400 1 1 113525 1 1 244777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide 495017 367502 454997 318954 315594 367803 274104 304674 323252 318923 569620 863943 650581 792739 819020 623009 688681 907657 782131 807101 674234 905287 1148079 1014857 903402 546572 666130 757896 689435 803949 495376 435838 684069 975279 771187 896678 3-Benzoyloxy-11-oxo-12-ursen-28-oic acid 695180 634467 726588 660501 461399 507403 598716 591830 558961 753472 624353 552769 677954 604100 705932 504550 591864 613025 605431 533128 531824 549012 867570 661118 616114 503372 655005 510597 538668 536364 508055 616987 615761 663621 655406 658336 3beta-Acetoxy-19alpha-hydroxy-12-ursene 1 78571 7891 1 1 15809 1 30086 72621 1 1 1 65920 112481 107048 44033 57645 1 99056 53684 1 111163 1 41501 82893 95132 19961 33338 115306 87759 1 1 1 1 1 1 3beta-Cycloartane-3,29-diol 13096 554645 270635 103031 40423 60698 39344 136610 338865 131600 174240 38269 127506 133268 292967 107524 60021 68374 445959 119481 83176 633613 436507 200274 462803 540361 14164 439489 463499 20877 17852 38583 97566 89706 106565 87320 3beta-Cycloartane-3,29-diol Esi-21.035477 11153 558604 233425 7704 14428 161395 1 168846 324000 389077 172055 307869 273941 154835 321236 251254 230355 302429 445577 172310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3beta-Fluoro-5alpha-androstan-17beta-ol 1 1 1 1 1 1 1 1 1 1 50618 74964 1 75231 77275 64257 1 47611 1 72228 59427 70691 60232 69004 73567 52996 68902 66085 59982 72507 1 1 1 1 1 1 3b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120584 69325 33099 70933 1 25056 3-Bromo-tyrosine 240488 1 159069 111619 65366 104069 1 66336 56726 1 271348 15431 146209 240212 117161 150933 64339 242018 1 50337 172708 1 1 216381 139323 171501 124074 1 46258 901743 1 1 1 1 1 1 3-Chloro-2-hydroxymuconic semialdehyde 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 826993 1093446 560489 485029 617494 282169 75638 643937 1485766 182292 844187 201650 950198 849590 289213 948265 3-Demethylsimmondsin 2'-(Z)-ferulate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206550 158400 1 1 1 1 3'-Demethylstaurosporine Esi-18.837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148460 195244 86617 235631 149415 167759 129669 216445 68368 1 1 1 1 1 1 1 3'-Demethylstaurosporine 384229 29262 386733 292295 307611 323080 307922 70201 24572 8797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227310 208215 31731 28587 26590 18618 3-Deoxy-D-manno-octulosonate Esi-1.309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7318 9345 3904 1 3-Deoxy-D-manno-octulosonate 103504 24730 9117 72441 215684 219405 160076 27675 68346 49940 106043 13749 69943 56567 75939 47184 79217 63681 28142 44198 1 1 1 1 1 1 1 1 1 1 51896 66216 1 71839 65962 87047 3-Deoxy-D-manno-octulosonate 8-phosphate 4150 6482 37091 1 1934018 183898 33275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3'-Deoxydryopteric acid Esi-0.7716665 1 71143 6603 60509 200892 7006 41205 1 85749 3390 25382 36642 136764 88382 80560 56507 58168 52074 86544 62976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3'-Deoxydryopteric acid 1 1 1 1 1 1 1 1 1 1 779731 521017 821143 624656 505057 587796 490024 509774 463737 621608 1 714119 179838 126331 374414 661837 613571 220293 326973 532697 1 1 1 1 1 1 3'-Deoxystreptomycin 3''-phosphate 712187 189586 229841 382180 191385 211984 196673 192933 314366 639945 292184 317398 218721 408404 462901 266596 746551 390407 493807 272123 293913 287352 180323 94307 379181 502311 502260 151041 410644 493435 511716 403535 340733 281199 441413 406270 3'-Deoxystreptomycin 3''-phosphate Esi-13.791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47176 124501 156020 79248 94495 17766 3'-Deoxystreptomycin 3''-phosphate Esi-13.794664 131944 81523 192971 60722 149548 86389 133517 75513 64646 111380 212315 137786 81175 183337 137419 203087 33133 143358 34298 153837 115096 50457 109536 106033 112604 92912 86683 59891 125874 86988 1 1 1 1 1 1 3-Formylrifampin Esi-14.060999 695465 547467 150992 389544 326422 13414 346061 1 487281 595377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-Formylrifampin 220812 37759 152014 102324 235184 140573 63643 84368 43367 14335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-Hydroxy-3-methyl-glutaric acid 728216 701005 816674 941069 41997 27374 264316 877172 7175 409968 436778 406308 239587 424574 442877 1 704851 1033795 548512 487929 764292 294102 3241765 818799 711394 505461 372336 747567 669007 701424 1 1 1 1 1 1 3-Hydroxy-7-acetamidoclonazepam 58029 73748 74231 54512 34975 54574 53842 46801 59837 54661 48818 16331 54337 49499 56544 52910 44270 47350 54148 39323 50115 48788 90864 36608 51116 56866 50331 33146 59325 39966 47687 69070 58362 66270 60647 56363 3-Hydroxy-7-acetylaminonitrazepam 100377 47879 158673 71986 28618 81828 83200 45555 39692 80977 1 1 1 1 1 1 1 1 1 1 71491 1 225360 1 33354 44657 52030 31361 29319 25935 62051 63622 66399 69055 72168 61276 3-Hydroxy-beta-ionol 3-[glucosyl-(1-6)-glucoside] 1 1 1 1 1 1 1 1 1 1 666398 395144 353074 492561 393441 430624 337155 386718 670896 401046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3'-HydroxyIndinavir Esi-15.330999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79570 61304 153905 99304 108707 87863 107122 38770 67244 82360 1 1 1 1 1 1 3'-HydroxyIndinavir 103980 113607 1 90015 59776 72379 75197 92330 91526 53645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-Hydroxy-L-proline Esi-1.23 1 1 1 1 1 1 1 1 1 1 1 1 336930 129883 275172 1 1 1 100355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-Hydroxy-L-proline Esi-0.955 1 25480 1 1 142069 1 1 76928 1 30037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-Hydroxy-L-proline 161172 206639 435844 179305 173992 275965 177725 69495 283405 334259 233992 85326 336930 250279 275172 157915 179504 46737 100355 306041 230589 270793 528587 175904 212146 224988 73534 176298 171312 300846 325417 246317 22387 186825 239275 315637 3-Hydroxyneogrifolin 1 42148 1 1 1 1 1 1 68519 1 15967 112207 44727 23443 63009 1 32043 40925 94477 54694 1 123313 9250 65709 78778 67543 1 54531 91312 87695 40025 41074 60188 26516 22818 48354 3-Mercaptohexyl butyrate 13637 252880 1 1 1 1 1 38115 54843 1 1 6418 13159 33801 1545 1 99784 26198 152846 39532 1 126340 1 93162 166162 81487 11991 22783 65240 52091 1 1 1 1 1 1 3-Mercaptohexyl hexanoate 191415 216417 218211 154759 97794 212488 174794 159473 226791 168012 192904 196421 239740 201771 215927 198123 182720 186877 177666 198893 225330 162807 185991 174111 200122 114612 185092 182595 188860 182979 206121 145369 157218 181082 180421 209466 3-Mercaptohexyl hexanoate Esi-10.98 1 65870 1 1 1 1 1 1 15570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-Methoxy-4-hydroxyphenylethylene glycol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-Methyl-2-thiohydantoin Esi-0.82217646 1 1 1 1 1 1 1 1 1 1 2509237 1 379538 1 16157 1 192037 287565 66896 213416 769710 5102 1617410 12394 334452 198157 114071 103457 433011 309836 1 1 1 1 1 1 3-Methyl-2-thiohydantoin 3734791 1 1.13E+07 1841995 38507 1343395 1 16546 1 3022548 1 1 1 1 1 1 1 1 1 1 1039188 1 6230516 10100 312768 1 1 1 244132 214853 1 1 1 1 1 1 3-Methylsuberic acid 1 71104 1 1 1 1 1 25742 17943 1 1 1 1 1 1 1 1 1 1 1 1 62412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1696233 1624047 44110 1 7434 1451465 3'-N-Debenzoyltaxol 235362 515900 125563 559649 261805 9640 211056 203186 308783 179637 235522 339418 177952 141543 178910 251597 255234 300661 264207 700843 220350 205532 1 45555 170389 1 151787 319292 222925 153547 506041 223208 1 223422 200651 262553 3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol Esi-14.215151 1 1 1 1 1 1 1 1 1 1 235412 193154 154140 174523 437177 146312 94455 257578 258102 236833 243601 168333 71958 221457 233601 117125 504281 127348 112634 553159 156183 224146 201258 188804 207054 183619 3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216775 305112 114916 276650 233893 94572 583655 282117 1 545415 1 1 1 1 1 1 3-O-(Rhaa1-3Glcb1-2Glcb1-4Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol 1 1 1 1 1 1 1 1 1 1 60163 22387 47033 41934 66082 33458 23766 32642 35045 39315 44263 1 52286 25552 49062 37818 25124 12578 34953 21657 38265 39267 43426 38697 39603 35426 3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diol 241710 184829 347762 154721 232171 78620 145695 139476 145034 222177 311530 295708 1 321805 163602 190286 216765 165239 203408 253725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diol Esi-13.189001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36696 80441 52252 53830 18042 168220 139351 180816 26327 19554 1 1 1 1 1 1 3-O-alpha-L-Arabinopyranosyl-L-arabinose 1 1 1 1 1 1 1 1 1 1 48488 1 15928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3'-O-Methyl-(-)-epicatechin-7-O-sulphate 64350 1 18638 135885 54743 141401 22794 88939 1 174808 1 1 1 1 1 1 1 1 1 1 1 28106 205840 26843 24470 1 1 32007 8566 1690 1 1 1 1 1 1 3-O-Methylniveusin A 1081208 1711414 650592 1963217 6506915 1471765 3402055 999509 144884 1497949 5564557 754919 1163185 2166841 816629 2950179 3345125 879596 1691097 2756910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-oxoglutaric acid Esi-1.0950001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567183 1088628 20330 73757 826626 602400 688719 741435 128471 600958 1 1 1 1 1 1 3-oxoglutaric acid 112260 402482 91937 130369 20714 63828 55309 193075 769005 96913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-oxohexacosanoic acid 82224 15251 78361 66239 99524 72838 54509 58375 49100 37271 1 1 1 1 1 1 1 1 1 1 38519 28654 31301 37469 46851 48413 24963 37965 47292 31923 54820 77516 29308 38276 38326 39444 3-oxo-tetracosanoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30128 37747 50514 19886 32173 34613 13936 29975 29904 30092 20438 23744 38514 42774 44929 25243 3R-hydroxy-eicosanoic acid 50382 12021 58561 11543 38773 28498 25072 21077 23300 2518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-tert-Butyl-5-methylcatechol 254239 164600 264114 210369 106960 137804 172051 172567 149095 190066 181933 143493 185556 167234 202753 125034 159834 162076 164632 122391 118401 132597 320921 179655 161809 118915 178718 111690 122423 134271 192032 164550 179283 180604 168299 188744 3-Vinylbacteriochlorophyllide d Esi-10.615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8819 88118 64935 1 1 1 1 40351 1 1 1 1 1 1 1 1 3-Vinylbacteriochlorophyllide d 1 1 1 1 1 1 1 1 1 1 141772 137999 1 1 1 27339 1 71103 1 1 1 209640 96879 1 5681 1 24498 87261 1 1 1 1 1 1 1 1 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300734 167533 1 1 26611 88708 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol 1 1 1 1 1 1 1 1 1 1 15684 18034 14104 18571 6573 32135 1 3414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4-(Methylthio)-1-butanol 124576 79221 147908 126085 109561 88321 94661 78472 89348 169970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4-(Methylthio)-1-butanol Esi-6.2737703 1 1 1 1 1 1 1 1 1 1 92243 95475 87563 66519 82118 175160 96890 90336 95570 83040 113465 97378 428365 77935 109537 104405 118282 70543 95483 123736 133989 67004 132618 120842 133054 129364 4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126449 103784 36984 25050 30121 17855 4,4''-bis(N-feruloyl)serotonin Esi-14.83 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114699 77750 100182 95029 76098 53563 108053 99002 87141 72760 1 1 1 1 1 1 4,4''-bis(N-feruloyl)serotonin 348497 247340 609571 521421 256054 165929 667204 606799 580976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244771 230493 174902 97818 1 151230 113280 135755 207025 117654 1 41890 212884 129693 231601 156675 4,4'-Thiobis-2-butanone 1 60965 30020 16435 7083 20791 6942 34013 47180 41740 1 52575 56409 22274 26809 18503 44057 39831 34712 35129 12667 53358 55303 81361 56439 84753 28346 58181 75871 42745 40635 33191 38251 45850 42329 40488 4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin 345812 344925 67801 281365 44989 243138 329168 256179 323846 279350 272236 357997 1 1 247928 94355 267008 268446 360831 254688 274549 367627 254712 355886 78806 228041 264024 326929 97123 265278 1 1 1 1 1 1 4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]-Benzamide 444188 300368 430043 373759 211679 350013 288067 256657 285522 212508 56215 38352 63995 77325 73195 136042 1 61644 68151 1 1 1 1 1 1 1 1 1 1 1 426941 292316 363180 390475 339249 338052 4-Acetyl-2(3H)-benzoxazolone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88841 1 403401 1 59981 24765 63393 7175 50720 31903 1 1 1 1 1 1 4-Amino-2-nitrophenol 4853491 2582534 2143046 3860692 3284493 495542 2246869 2419264 2455537 3704069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4-Amino-2-nitrophenol Esi-0.7922775 4432207 2582506 2742233 4066709 3284493 248228 2246869 2565416 2471636 3317786 1363193 1473328 1737915 4295312 3469787 1892635 1261911 1239627 1975940 2434292 52845 1172829 1583576 2121801 1429919 2425224 1596234 974097 2159447 753630 2905296 3472312 1551897 3287035 3764410 2389630 4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid 100367 65377 24993 141446 135392 73870 92294 20421 28624 61654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79320 109650 80527 50630 63391 138913 4-amino-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate 195248 32485 231842 84712 103884 99965 1 37795 36472 23970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4-Aminoethylbenzenesulfonyl Fluoride 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168051 1 1 1 165691 50542 123814 158324 446158 1 1 1 1 1 1 4-Bromophenylacetate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93200 9965 85358 37725 104937 73521 160857 92491 200016 184488 1 1 1 1 1 1 4-Carboxy-4'-sulfoazobenzene 121503 50535 26752 155835 130476 187895 34831 97594 94146 24301 80813 1 28397 79018 34086 99637 93034 14572 22819 7586 54903 20932 174213 62042 49966 29276 9368 62268 24297 34016 1 1 1 1 1 1 4-Carboxy-4'-sulfoazobenzene Esi-1.5220001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149103 40251 140710 67480 57211 2452 65555 54737 33986 1 1 1 1 1 1 1 4-Chloro-6,7-dimethoxy-2-benzoxazolinone 1 68626 1 45362 1 1 42005 1 76436 80335 1 1 1 1 1 1 1 1 1 1 39010 15731 133461 7711 1 1 1 1 1 22437 1 1 1 1 1 1 4'-Cinnamoylmussatioside 487328 359369 483260 328434 582345 141781 458286 403583 246114 183230 180946 313896 161407 186452 352434 226671 294572 234566 295779 184257 270576 128511 165948 208047 7172 255219 249270 262299 155923 385062 172785 160756 165285 96134 278264 170315 4-Feruloyl-1,5-quinolactone 1 40982 1 1 35259 1 1 19045 43908 1 9682 69382 14027 48042 20683 19673 21969 22600 29660 37549 1 49330 1 8616 69467 33755 10323 44496 53335 1 1 1 1 1 1 1 4-Fluoro-L-threonine 32451 68242 9411 76382 98671 69309 61186 62456 66368 73636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4-Glucogallic acid Esi-15.439053 155527 183887 179820 202904 198194 179796 167376 266468 136981 260237 188228 209442 183365 202733 202393 211943 184023 216664 219512 197522 207959 215751 155417 186974 201017 196975 211872 222241 229866 223825 179904 162900 197414 209646 201037 197307 4-Glucogallic acid 385775 217265 298884 487871 358639 310769 272894 319371 245132 145657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260895 322731 201462 130494 84316 1 4'-Hydroxyfenoprofen 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28280 17767 79459 14819 36104 28735 32374 14996 24794 1 1 1 1 1 1 1 4'-Hydroxyfenoprofen Esi-6.271 1 1 1 1 1 1 1 1 1 1 41376 36964 354163 469263 9216 19460 1 13121 1 18888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4-Hydroxyfurano[2'',3'':6,7]aurone 214678 193121 334638 192230 155447 152582 185994 195693 265588 164767 1 1 1 1 1 1 1 1 1 1 162571 208760 52492 323686 177431 128290 1 104057 146001 392395 228950 232058 236538 242986 247234 165516 4-Hydroxypenbutolol glucuronide 131616 138088 135799 53454 140405 155263 151410 80286 125350 71523 162690 96836 132663 101763 67642 112033 107564 77451 74829 131107 89951 1 166326 110093 68314 46234 56410 69279 101010 1 26947 119718 181215 77678 174459 152932 4-Hydroxypenbutolol glucuronide Esi-13.303999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148692 99461 126280 82802 1 78491 1 1 1 1 1 1 1 4-Hydroxyrottlerin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5607 1 35858 10493 2895 1 5083 30426 8519 1 1 1 1 1 1 1 4-Methylburimamide Esi-13.114 1 1 1 1 1 1 1 1 1 1 1 7580 54581 1 5072 67918 8835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4-Methylburimamide 231334 441905 49522 47240 44992 33630 90750 170709 122042 61413 30547 100898 47413 110109 31603 8667 217565 69512 285207 90488 48853 195827 76425 228391 364382 177161 99244 102647 202556 75677 1 1 1 1 1 1 4-Methyldibenzothiophene 5346 1 1 13004 1 1 8523 1 1 36498 1 1 1 1 1 1 1 1 1 1 16919 1 71237 23988 1 1 1 1 1 1 1 1 1 1 1 1 4'-O-Methyl-(-)-epicatechin-7-O-sulphate 311089 106812 5737503 335377 345800 277983 105651 44081 53230 1439136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1548938 419532 95090 105927 33436 83320 4'-O-Methylglucoliquiritigenin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246738 1088067 826358 492666 1107687 471920 4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylglucoside) 226328 1 1 140505 88329 206801 51397 1 1 302469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4-oxo 2-Nonenal-d3 75062 36857 1 50616 14818 58336 43845 50668 36028 40501 12339 51328 24803 18686 9682 1 34929 54526 32591 39129 46751 33226 84718 33492 53048 38260 20376 32719 61058 14723 24591 65163 29715 20037 35305 71129 4-oxo 2-Nonenal-d3 Esi-5.091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30251 33226 32797 34800 51600 38290 20307 32719 61448 14723 1 1 1 1 1 1 4-Phenylbutyl glucosinolate 1 98100 50785 65094 1 73856 78943 1 11086 78809 1 1 1 1 1 1 1 1 1 1 73800 78636 85515 14553 12891 18481 15892 104905 52393 10888 1 1 1 1 1 1 4-Phenylpyridine 1 1 1 1 1 1 1 1 1 1 1 236286 230067 248756 181576 125022 234246 273691 317144 272374 299740 238296 670865 232689 192775 215982 308194 272405 234171 265326 1 1 1 1 1 1 4-Quinolinemethanol, 2,8-bis(trifluoromethyl)- 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75386 80314 121537 118318 260400 116744 153117 242701 55313 31999 1 1 1 1 1 1 4-Quinolone-3-Carboxamide Furan CB2 Agonist 1 1 1 1 1 1 1 1 1 1 71579 55452 1 56653 67551 55963 31056 36766 40746 20996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5-((2-hydroxy-2-methylpropoxy)carbonyl)-2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 63974 177255 88582 43691 40480 208021 23187 48296 14765 13151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139413 34201 60651 53688 44175 49848 5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287397 277876 61111 71895 70696 58849 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene 96863 61731 121732 112852 65062 62786 94855 70690 19836 108941 1 1 1 1 1 1 1 1 1 1 83822 43515 51315 65816 41671 50452 78044 69518 53111 11737 27285 78929 82299 83905 1 61893 5''-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1-3)-beta-D-xylopyranosyl-(1-4)-D-xylopyranoside 90273 20126 101682 96375 98802 112762 75710 33622 21567 13830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1H-benzimidazole 55890 20416 73178 70897 35445 19395 58634 42537 36207 39406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5(S),6(R)-DiHETE 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188896 525383 641438 335062 543921 398352 391248 308891 221281 248461 1 1 1 1 1 1 5,6-Dichloro-1,3-cyclohexadiene 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2012414 1.28E+07 3492782 9356804 303247 5923464 3915928 3355795 1.47E+07 6965720 4255683 2027178 3125165 6511758 5602090 6442581 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone 26878 29092 9086 14376 5567 1 18233 1 17913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5,7,8-Trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate 32345 45734 38871 190704 70254 37158 132325 28122 19547 110660 189063 24767 73171 68554 44717 25741 93807 46144 20661 5106 20497 46785 111475 19181 19229 9868 9843 98491 46921 3354 13828 45835 58732 51596 7048 78726 5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12S 5.72E+07 4.87E+07 6.71E+07 4.93E+07 3.57E+07 3.96E+07 4.35E+07 4.42E+07 4.44E+07 4.68E+07 5.57E+07 4.59E+07 5.63E+07 5.19E+07 5.79E+07 4.34E+07 5.07E+07 4.98E+07 5.06E+07 4.27E+07 4.20E+07 4.59E+07 7.58E+07 5.42E+07 5.05E+07 4.03E+07 5.19E+07 3.98E+07 4.29E+07 4.44E+07 4.83E+07 4.65E+07 5.37E+07 5.41E+07 5.40E+07 5.44E+07 5?-Cholanic acid-3?, 12?-diol N-(2-sulphoethyl)-amide 253734 193687 1 156516 263328 283013 1 371891 259816 275775 254816 1 382796 223256 285162 434745 505425 272986 277702 193456 356671 1 547938 1 1 290874 183491 1 100481 321558 454199 263722 307718 345107 382726 330819 5a-Cholestane-3a,7a,12a,25-tetrol Esi-19.3675 1 1 1 1 1 1 1 1 1 1 79498 89178 62097 40551 36419 73473 70901 92360 64296 108716 81681 67806 63283 94501 75127 82418 70338 71889 86923 47560 1 1 1 1 1 1 5a-Cholestane-3a,7a,12a,25-tetrol 284140 1 1 39594 60427 1 54731 79401 50977 259100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5a-Dihydrotestosterone sulfate Esi-13.40978 87814 83006 143053 79042 96515 17591 91652 47281 67515 97401 108936 63684 158837 80383 84700 70356 96313 70847 78733 84911 69089 65182 125347 67581 56302 42750 83919 51570 50564 65408 57287 20960 87118 101192 96013 99538 5a-Dihydrotestosterone sulfate 187867 133328 867947 114820 199514 162100 81319 381005 84342 101912 131528 227200 162447 173923 124399 125102 165068 205219 152377 147376 184334 225431 225967 194567 178335 181438 142603 225755 123553 61954 176868 93416 158684 170523 541003 197181 5b-Cholestane-3a,7a,12a,24,25-pentol Esi-19.362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168870 12534 1 5560 1 6491 5b-Cholestane-3a,7a,12a,24,25-pentol 47659 9894 31916 26545 1 16781 9506 13757 13406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87149 1 12295 1 1 1 5-benzyl-5-(pyridin-3-yl)imidazolidine-2,4-dione 21912 56060 105021 45371 12122 24655 38546 1 17283 30924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5beta-Chola-3,11-dien-24-oic Acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122765 90692 196026 146670 86689 82968 87411 86432 79903 69521 1 1 1 1 1 1 5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate 1 186000 1 156006 105211 607548 185365 1 604246 1 319782 175397 177890 219106 121204 320257 348503 334975 133506 327201 342005 263928 131418 195343 278042 285859 382076 228148 217713 242391 99994 184467 152514 135480 197398 118135 5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate Esi-10.625 1 1 1 76373 81245 35824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate Esi-11.439357 1 1 1 1 1 1 1 1 1 1 167443 150431 20812 1 1 34003 1 81612 1 1 1 222669 113112 1 1 1 1 100319 1 1 85299 22198 80192 80609 69471 72903 5beta-scymnol sulfate 70423 1 5169 12579 2899 1 33763 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5-bromo-3-cyclohexyl-2-hydroxybenzamide 42514 212210 314956 323464 69445 30865 368496 138392 46712 152456 238045 10478 123556 76728 17747 281545 41675 108948 291491 185579 100730 159596 1 147513 38783 51536 25536 19343 159652 9218 1 307557 50657 23320 19264 232028 5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one; R 29676 60005 11878 78972 111364 1 123930 116304 43146 1 100140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5-Fluorodeoxyuridine monophosphate 1 1 3065 1 148389 167243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5-Heptynoic acid, 7-bromo-; 7-Bromo-5-heptynoic acid 245722 135078 37599 139363 371314 532435 361805 142157 616494 322401 301893 773749 480710 363346 205148 344255 679459 591192 410773 836779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone 94376 1 54090 84893 68596 1 41005 50180 18570 234602 52613 11220 1 9107 11422 36895 64321 6669 5663 9658 89270 19326 1 5698 29802 1 76797 22143 20808 1 52555 66762 57138 69515 1 41178 5-Hydroxybuspirone 865392 520048 371647 580522 562047 27677 555231 631835 242568 614355 727790 443288 1101548 590748 831739 690065 558807 637244 661772 478289 814764 553403 819438 438269 595179 485910 638303 595371 553237 591417 647516 524430 699636 653746 642869 647082 5-Hydroxymethyldeoxycytidylate 21386 1 58761 1 1 1 1 1 1 36575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5-Hydroxypropafenone 25639 47317 1 9935 22438 44185 1 44262 50808 61988 68755 71151 61187 76842 85656 25371 32252 78545 88551 1 40094 50405 243740 103307 90604 60583 49499 62344 62303 83009 1 1 82916 25695 1 90337 5-Hydroxysulfapyridine 46861 25664 70436 1 44225 55887 40848 38867 52130 73774 1 1 1 1 1 1 1 1 1 1 52207 1 100990 46113 50492 42977 39611 14399 47894 46400 1 1 1 1 1 1 5-Hydroxythiabendazole 213031 109616 353231 193243 133427 213517 209514 123368 86530 322826 161496 98277 106806 125303 98375 129370 132325 100392 78201 131299 206629 75188 544402 130183 126311 108620 160701 91862 124666 155555 169261 168016 175461 184008 173792 190385 5-Methylthiopentanaldoxime 735695 609036 1121985 625894 531767 498795 600573 629546 865339 528220 826487 361478 1511006 1019137 1005592 789232 601834 725846 524771 267494 500666 689220 169717 1027415 542568 441953 462702 336390 481118 1278942 757618 731151 733971 771861 758615 763594 5-O-?-D-Mycaminosyltylactone 1 1 1 1 1 1 1 1 1 1 142319 147406 153439 137680 157260 189908 120021 92867 129387 154618 177510 165346 167615 149348 152164 191733 188309 162665 185847 138872 198625 300978 182475 189617 182976 237701 5-Pentacosyl-1,3-benzenediol 1 160250 1 1 1 1 1 38471 78328 1 1 1 1 1 1 1 1 1 1 1 1 130579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5-Tricosyl-1,3-benzenediol 1 585581 1 1 7250 1 4289 180323 354717 8196 182362 142877 50958 102863 105480 106887 64135 43365 26636 53664 167035 537051 45284 73461 43288 92519 32937 22004 81527 71567 1 1 1 1 1 1 6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside 1 1 1 1 1 1 1 1 1 1 55380 51911 81388 58300 1 24098 22485 1 41726 13215 39224 9297 85673 55702 27451 51444 31271 22658 1 21042 1 1 1 1 1 1 6-(2-Chloroallylthio)purine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80654 76567 252846 103902 1 1 66731 281308 1 1 1 1 1 1 1 1 6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one 480298 58688 1 608269 72477 436805 190221 1 1 23932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114238 91183 90354 411048 123567 369366 6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81850 1 1 1 1 1 1 1 1 1 1 1 1 1 6?-Methylprednisolone Acetate 375684 307844 359009 290998 235107 251397 286329 286904 282298 252928 1 1 1 1 1 1 1 1 1 1 153242 195465 396593 235860 196152 124611 218722 145698 164075 172653 307184 292907 295169 302669 297274 307403 6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol 1 1 1 1 1 1 1 1 1 1 1 10179 1669 1 1 1 34322 1 55651 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6-Bromo-5E,9Z,13Z-docosatrienoic acid 167141 131001 173845 219419 124016 225788 145495 193327 146575 127889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6-Chloroapigenin 1 1 1 1 1 1 1 1 1 1 71145 13275 131268 124933 152039 43108 121533 46136 141764 136717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6-Cyano-7-nitroquinoxaline-2,3-dione 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17270 72875 111984 53006 100491 6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67531 30865 38901 12633 79704 23331 1 38055 97851 1 1 1 1 1 1 6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C Esi-13.725 1 1 1 324759 914534 24241 86787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6'''-Deamino-6'''-hydroxyneomycin C Esi-14.769 1 1 1 1 32731 1 1 1 1 144205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6'''-Deamino-6'''-hydroxyneomycin C Esi-13.429496 223632 404406 542363 289028 629148 134164 391060 213287 920318 58459 374775 379194 513993 466948 269360 464755 347874 239422 288625 351399 118537 241399 445597 216081 338567 511784 302267 256380 325335 184467 242740 99013 448544 444092 318473 392807 6'''-Deamino-6'''-hydroxyneomycin C 1340126 1771349 2520830 352446 2374985 429744 1204439 952704 877939 667709 1138746 630379 2048380 2537788 1766327 2101449 1622652 1254556 1413325 671586 1657335 1561152 1948636 2144668 1731515 2357951 880729 1397429 1718737 328058 1118605 453871 2138997 1800078 1903505 1914929 6'''-Deamino-6'''-hydroxyneomycin C Esi-13.670749 1 1 1 1 1 1 1 1 1 1 1478168 1116418 1487003 1741114 1362352 1512182 1172904 911614 1022594 1266419 1 1 1 1 1 1 1 1 1 1 632459 453871 2136679 1778719 1514018 1914151 6'-Dehydro-6'-oxoparomamine 1 89395 1 1 1 1 1 89316 125900 1 1 1 1 1 1 1 1 1 1 1 1 172039 46000 46744 96803 82550 14341 89483 62533 51614 1 1 1 1 1 1 6-Desmethylprazosin 1 1 1 1 1 1 1 1 1 1 56138 16627 1 1 9940 1 24091 23729 14652 1 1 14665 6463 86968 61814 26632 9593 1 1 1 1 1 1 1 1 1 6-HydroxyKetanserinol 720299 335872 622711 692080 345262 488087 530066 475172 334199 455541 328440 268653 352718 315711 403576 211696 333502 349491 278914 229119 238498 233915 616781 333795 333361 189295 367668 222204 233157 324877 545978 361465 341251 298763 244937 317979 6-HydroxyKetanserinol Esi-5.773736 28874 59261 19254 1 14846 11849 16995 14989 19950 7945 21792 11154 28377 17368 22524 13916 14841 8364 48937 12818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6-HydroxyKetanserinol Esi-5.9623346 67925 95124 18540 1 15660 11849 42707 15350 33685 8246 21066 24739 1 29264 21873 1 33690 23440 91331 32173 28346 68637 14361 24202 44152 37737 10854 15183 37416 75124 32846 36162 35760 27711 39009 33643 6-Hydroxyondansetron glucuronide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41283 47996 17381 11466 1 11780 6-Hydroxysandoricin 1 1 1 1 1 1 1 1 1 1 515953 503254 624741 324518 202893 617759 583856 547228 318301 813839 628080 613721 502652 236380 633831 512357 449229 169002 989781 220319 1 1 1 1 1 1 6-methoxy Naphthalene Acetic Acid 883452 1 47200 1289184 1 439414 934531 957887 1 1627136 1 1 1 1 1 1 1 1 1 1 1 1 3511435 1 1 1 1 1 1 1 1 1 1 1 1 1 6-Methoxy-3-(2-thiazolyl)-1H-indole 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28558 260936 204790 188045 209700 57509 1 173566 169864 1 1 1 1 1 1 6-Methoxy-3-(2-thiazolyl)-1H-indole Esi-0.81799996 1 1 1 1 1 1 1 1 1 1 53555 1 77630 51516 48584 1 36670 1 25983 48514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6-Methylthiohexanaldoxime 243148 254636 413341 260572 223896 300890 294696 198577 265050 430574 228795 188746 228654 220746 290070 346185 207545 237399 233139 232356 313583 208254 569031 249026 288130 218004 291778 133024 266044 173501 278452 279222 296887 279269 286157 304324 6-O-Methylarmillaridin 1 1 1 1 1 1 1 1 1 1 65437 80845 97612 65264 60959 35759 52048 32467 54440 100729 110586 134257 76868 50009 46191 59521 91095 118650 146348 10941 65247 42016 86951 122601 107293 114438 6-O-Methylguanine 1 1 1 1 1 1 1 1 1 1 42886 31375 83578 104459 79293 55429 92136 148647 80220 34826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6-O-Oleuropeoylsucrose 242845 43913 305200 190417 274264 211506 181391 96952 68380 42364 63574 38401 48952 32572 25391 29474 32800 35077 29073 32212 45010 22257 43135 47973 29247 34855 27472 25351 30766 29211 141086 161319 46134 38124 50571 39126 6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236068 492842 1 292445 1 1 1 144985 1 259566 1 1 1 1 1 1 7,12-Dimethylbenz[a]anthracene 5,6-oxide 63507 31621 29698 46347 17351 99125 56705 42529 55252 41278 1 1 1 1 1 1 1 1 1 1 23417 49695 31126 45640 65058 41623 22823 54409 67852 34431 1 1 1 1 1 1 7,8,7',8'-Tetradehydroastaxanthin Esi-17.003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2494867 538242 3163848 1900894 142798 538106 7,8,7',8'-Tetradehydroastaxanthin 282066 359772 240057 1 282773 1 114068 467716 1332092 1 10150 37120 1150854 160797 1890515 1 1260053 1 174399 1945418 107431 185489 153609 15621 190081 177850 60778 1 76393 64281 1 1 1 1 1 1 7?-(Thiomethyl)spironolactone Esi-19.928175 1 1 1 1 1 1 1 1 1 1 84437 1 79400 76201 64975 76423 98988 72897 91097 79670 113894 69783 127613 133727 76783 83788 80867 1 78573 1 1 1 1 1 1 1 7?-(Thiomethyl)spironolactone 78830 105888 104385 1 144918 52978 86596 54853 103841 55390 141145 168503 163538 107632 140839 208920 152099 133449 160856 133162 132691 128374 160775 219488 133121 122479 142452 48752 128149 1 112533 104409 141945 73656 158231 175043 7?-(Thiomethyl)spironolactone sulfone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125488 131852 1 273891 232406 1 203695 130882 1 1 1 1 1 1 1 1 7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C 1 1 1 1 1 1 1 1 1 1 41052 238565 238801 1 334880 116499 323292 354242 1 221534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7-bromo-5-heptynoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219753 1 385853 222427 1 220431 7-Epiloganin tetraacetate 158378 171085 189681 218189 188868 97693 111358 63803 155177 146885 170181 150564 72825 206042 178544 261237 172510 179743 171119 188732 1 1 1 1 1 1 1 1 1 1 229838 172950 224364 164810 210766 171504 7-Hydroxybenzo[a]pyrene 93155 52163 134914 78661 114791 89880 108112 59629 83012 101809 94473 79536 99957 97324 111214 128697 90098 76555 86714 122575 147959 91360 122058 118353 149718 158342 102531 84541 158569 138894 104496 103745 111734 109313 100599 110695 7-Hydroxylevomepromazine 1 1 1 1 1 1 1 1 1 1 129255 150584 126723 19349 1 36205 1 426727 1 52328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7-Hydroxylevomepromazine Esi-18.838 57162 422072 49434 20054 60195 49229 1 1 1 15434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7-Hydroxyriluzole Esi-0.95457155 268327 1 172131 33133 148182 168849 194006 24503 1 82197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114195 110296 93226 142186 151940 150248 7-Hydroxyriluzole 61808 247048 1 1 363989 272426 1 444747 1 1 1 1 1 1 1 1 1 1 1 1 80774 1 1 5767 6384 1 1 1 1 1 122194 108130 79275 1 43298 49630 7-Oxociguatoxin 1 1 1 1 1 1 1 1 1 1 1 174104 172973 1 126419 1 166177 201889 1 155357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7R-hydroxy-hexadecanoic acid 97204 843679 81948 65101 55755 71224 78646 359430 370010 105734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460582 152940 542512 340552 231539 338007 8?-Hydroxycarapin, 3,8-Hemiacetal 176578 135430 223077 198242 166308 192491 141993 125180 120720 286042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene Esi-11.457001 1 1 1 1 32377 1 1 1 19293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24594 1 1 36040 1 1 1 1 1 1 1 8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene 63687 50834 51519 61390 26995 83215 44225 56773 55245 50650 54433 88579 37838 1 54108 37213 59964 60270 48052 52700 41162 72548 70421 45484 67223 63241 33253 48153 64403 44743 58282 44305 51827 61900 63757 60599 8-Chloro-2,7-dibenzofurandiol 145722 353317 294451 47828 248879 125742 140836 568558 345758 320251 168855 77710 178332 204729 215999 199967 4594 71588 184863 226421 1 1 1 1 1 1 1 1 1 1 26698 157312 109710 125738 262716 116509 8-HETE 1 1 1 1 1 1 1 1 1 1 206971 98550 55334 1 1 179214 120411 10034 174999 45199 1 1 1 1 1 1 1 1 1 1 88672 1 7.50E+07 30379 7.29E+07 329828 8-HpODE 193501 87927 99122 226092 522716 172018 185855 156947 248230 61929 316047 288497 455215 415428 366801 666240 376477 92066 275807 466740 525804 333874 303704 317954 226096 472193 208140 320493 371184 259307 398888 314909 423483 402280 394197 440404 8-Hydroxyluteolin 7-[6'''-acethylallosyl-(1-2)-3''-acetylglucoside] 61407 43247 49265 51576 43544 49861 1 54677 55444 61308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8-Hydroxypurine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155132 42143 1 1 1 8605 1 43024 1 1 1 1 1 1 8-oxo-dGDP 35473 35698 8849 8448 28792 7932 50077 1 35287 67970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8-Prenylafzelechin 5-methyl ether Esi-23.754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2666503 1771205 2878167 1105195 1610407 1625643 1766311 1760946 910608 1537107 1 1 1 1 1 1 8-Prenylafzelechin 5-methyl ether 2703491 1787956 2855234 1597578 1816037 1741374 1715752 1539130 1765469 1596076 2396588 1650280 2536105 1930315 1623902 1724886 1631263 1556522 1630502 1885092 2709071 1771976 2948700 1087357 1610859 1641153 1742357 1780220 904340 1514038 1411460 1346213 1063324 972984 2173117 2137738 8-Prenylafzelechin 5-methyl ether Esi-19.126862 1 1.78E+07 1.23E+07 1.44E+07 1.11E+07 1 1.86E+07 1 2.49E+07 2.01E+07 3.54E+07 1.74E+07 1.94E+07 1 2.82E+07 1.95E+07 1 1.75E+07 1.53E+07 1.16E+07 1 1.56E+07 2.55E+07 1 1 1.43E+07 2.76E+07 1.71E+07 8876220 2.75E+07 1.51E+07 3.64E+07 2.08E+07 3.47E+07 1.39E+07 4.58E+07 8-Prenylkaempferol 3-rhamnosyl-(1-3)-[apiosyl-(1-6)-glucoside] Esi-14.374623 1 62213 66862 67602 1 1 72429 125376 105784 1 228529 174382 181772 173263 183544 167200 95198 181522 122464 145723 107075 184328 101748 85614 118352 118748 84579 113344 88471 90006 80943 251891 203215 143972 187214 107443 8-Prenylkaempferol 3-rhamnosyl-(1-3)-[apiosyl-(1-6)-glucoside] 215297 176006 202377 182756 281441 94374 197554 46600 1 151428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8-Prenylkaempferol 4'-methyl ether 3-[4'''-,6'''-diacetylglucosyl-(1-3)-4''-acetylrhamnoside] 21435 1 1 1 29578 1 1 16035 13882 28783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1-4)-rhamnoside 116311 135334 221879 206853 209144 97010 164210 218090 125475 92461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8-Propyloxycaffeine 1 1 1 1 1 1 1 1 1 1 192111 43534 87866 25447 99960 92814 57302 69263 72559 57310 55125 68151 21874 80193 47015 42537 17227 41038 12664 20667 78540 107766 70719 15550 22262 95195 8R,9S-cis-epoxy-10S-hydroxy-eicosa-11Z,14Z-dienoic acid. 3394 58448 6359 21390 1 20430 10421 44856 83515 20666 13623 130778 35158 31012 44174 20673 27697 67703 64570 54605 1 1 1 1 1 1 1 1 1 1 35892 44407 50920 53167 45823 49166 9,10-dibromo-stearic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259918 185871 9,11-methane-epoxy PGF1? 1 1 1 1 1 1 1 1 1 1 169173 1 120209 124328 67774 68113 112927 117753 126697 92758 1 1 1 1 1 1 1 1 1 1 78556 137665 99740 70888 74450 73573 9,12-dimethoxy-13-hydroxy-10-octadecenoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62711 38344 119288 56686 45529 39319 87967 36395 38538 54180 1 1 1 1 1 1 9-Aminocamptothecin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52533 1 1 1 1 1 1 1 1 1 1 1 1 1 9-Anthroic acid 1.73E+07 124911 1.58E+07 1642245 8416301 1.60E+07 1.52E+07 426185 119395 7254362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9-Hydroxy-2,6-dichlorodibenzofuran 14826 230981 28039 430264 194316 164537 205419 147557 44416 171358 531885 76839 97291 148804 87352 438543 82690 277901 164684 41329 132205 139413 341627 149449 303224 24225 80761 96525 424312 22188 36123 346252 293211 103264 100999 220119 9-Methoxy-alpha-lapachone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15395 72703 40976 34683 44651 52201 21206 29969 1 1 1 1 1 1 1 1 9-Methyl-7-bromoeudistomin D 158436 1 37415 8321 36258 62165 81885 1 1 28536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9-Methylxanthine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39454 1 1 174236 1 140206 1 1 1 1 1 1 1 1 1 1 9-Nitroanthracene 182165 147171 292778 1 158492 217537 236741 131858 139151 249446 164930 152868 147485 137646 117201 131657 137428 184881 196526 180125 220567 171532 481305 130582 156634 163336 218874 178832 168110 172953 179976 191120 166819 183282 180734 170288 9-O-Demethyl-2alpha-hydroxyhomolycorine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490734 311303 466975 99091 256889 261982 273186 283866 147800 230823 1 1 1 1 1 1 9-O-Demethyl-2alpha-hydroxyhomolycorine Esi-14.196001 1 1 1 1 1 1 1 1 1 1 48567 29788 63178 33672 40006 56213 49283 67908 73471 57780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9R-hydroxy-12E-octadecenoic acid 45952 1495201 48586 76071 170604 132675 83369 681522 1360938 90795 155590 3495998 668843 175352 1112199 271621 183861 1644600 1345370 972440 52033 3427233 170923 948430 1620837 902429 329002 348185 1850339 728618 651586 680174 1013887 958890 513053 978251 9R-hydroxy-12E-octadecenoic acid Esi-15.234078 1 1 1 1 1 1 1 1 1 1 82320 804954 102181 103276 190415 142094 228913 533742 307396 373130 140698 751525 139498 305823 647375 203028 118700 75148 617873 404794 667692 128326 456388 321584 228480 417275 9Z,11Z-Tetradecadienyl acetate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6711 10649 36739 14208 8403 9647 6158 7418 1 1 1 1 1 1 1 1 A 922500 1.64E+07 1.22E+07 1.55E+07 9254334 1.07E+07 1.33E+07 1.31E+07 2.06E+07 1.52E+07 1.20E+07 1.20E+07 1.02E+07 1.02E+07 9272092 6661212 6216988 7820007 1.06E+07 8252096 7066229 8308534 7331862 1.36E+07 1.10E+07 8029314 7302036 6280528 8317545 6453001 6769671 1.12E+07 2.20E+07 1.35E+07 1.29E+07 1.24E+07 1.22E+07 AB005 Esi-18.463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52260 62253 66238 67912 1 1 AB005 182357 1 186124 160615 204167 97080 111762 89159 1 127502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Abu-His-OH 70346 1 84925 128871 63020 63878 183441 1 1 1 1 1 1 1 1 1 1 1 1 1 93995 1 255815 1 1 1 1 1 1 1 1 1 1 1 1 1 Acarbose (component 2) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28488 52793 740150 29029 18933 179627 15914 13978 50120 120623 1 1 1 1 1 1 Acetic anhydride Esi-0.8806667 1 1 1 1 1 1 1 1 1 1 1 525751 1 1 195843 260864 1 167910 32797 1 83591 347731 1 158137 1 135032 163326 47625 1 270925 1 1 1 1 1 1 Acetic anhydride 1187417 1069974 1211924 1165978 737350 1273648 942912 1287197 806225 1355516 1039510 1061254 537016 677008 343293 551966 994629 1495502 461924 667993 987285 1062595 1911710 856361 671631 530092 753596 1192290 393756 422023 1 1 1 1 1 1 Acetylsoyasaponin A3 310297 208140 397439 358869 345867 297325 245841 269504 326778 1 297495 243206 287536 248870 264892 241460 264449 230379 257280 267848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Acetylsoyasaponin A3 Esi-15.020002 343934 173999 68447 252561 155116 235835 282368 1 103947 159556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Acidissiminol 52149 171346 223370 57415 1 52332 65863 227436 113363 189786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Acifluorfen 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112387 110358 112647 130007 19694 1 26757 21685 117143 15184 102955 114656 1 1 57214 78207 Aconine 874741 542244 1181995 259041 1308893 408465 601824 242245 467149 470930 678690 283894 645071 626161 454910 907101 410563 532285 460765 735241 643021 488806 929451 815761 543998 595654 345871 451106 530751 312610 662103 732384 693537 636361 609854 630720 Acotiamide 383853 145322 310135 291810 184822 252456 271279 240560 174659 236695 194698 116048 166547 177276 193004 92515 158232 173119 180382 127616 118555 125758 310418 149405 151586 104232 183401 112397 125501 192847 293921 156067 155086 144203 164864 170291 ACS 67 108045 12311 130588 83662 109401 98692 76579 26532 25135 10178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Aculeacin A Esi-14.0290365 1 1 1 1 1 1 1 1 1 1 188301 141017 97694 213529 131032 272076 178530 146143 143283 188228 130374 125720 202658 158291 133982 128068 114957 127310 1 66428 320255 263488 185640 187466 201647 192768 Aculeacin A 306499 145387 358412 186584 449316 343914 350660 280390 254143 129568 1 1 1 1 1 1 1 1 1 1 240594 130966 251685 146086 115553 134558 140736 128901 131970 138727 1 1 1 1 1 1 Acutoside B 807355 551963 275671 809460 34294 151840 853933 646955 611433 494832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Acutoside C 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 485777 285758 517928 523074 413396 501853 372936 414811 422652 416838 1 1 1 1 1 1 Acyclovir (8-hydroxy-9-(2-hydroxythoxymethyl)guanine 112401 1 34089 79390 30414 72080 91625 1 1 58366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Adenosine 2',5'-bisphosphate 1 1 1 1 1 1 1 1 1 1 74886 82277 89048 52741 61776 68650 63501 76556 39910 68272 1 1 73243 44645 25252 51584 31059 1 23574 46797 1 1 1 1 1 1 Adiantifoline 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76716 76791 76658 76275 72307 76261 AG-183 66363 61117 120962 84225 56553 74861 71683 1 42703 95483 63791 58970 44583 52468 46086 80265 75016 75565 48901 47302 63120 54041 184252 56569 61716 25723 70253 53908 37113 157571 76972 86109 76058 84000 77836 46064 AG-99 224764 625702 127733 405869 315442 689149 589448 565198 443650 690865 246570 230466 603453 492833 232561 236664 485947 267815 441291 747850 186079 900746 216677 525306 848754 207262 323245 776322 160039 239444 1 1 1 1 1 1 AL 6598 23144 1 54308 58211 108180 59969 55547 13803 9215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ala Ala Asp 49754 1 20063 1 84272 16786 49295 96439 129889 42252 93481 144165 115055 102754 69531 65338 1 103992 119768 222067 151018 1 59812 1 124835 145034 27108 37571 32671 35522 52750 67513 1 121627 115640 1 Ala Glu Trp 9167609 679628 8058163 8263086 8032401 3797348 5846430 2682996 972204 641658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1.06E+07 5896826 903238 652668 651669 597587 Ala Glu Trp Esi-18.232277 1 1 1 1 1 1 1 1 1 1 1.29E+07 469452 9107302 1148479 3048017 1 563671 1 1 2810114 1.15E+07 9940757 1.09E+07 1.24E+07 1.02E+07 1.16E+07 9246659 9614094 9532019 8694117 8409344 1.55E+07 572040 1 4376901 558625 Ala His Lys 1 290955 29178 83752 242472 76141 230284 147760 181550 324898 500081 310975 428030 318663 273078 310603 350389 268265 287414 1 1 1 1 1 1 1 1 1 1 1 262727 253918 439980 181520 443560 412721 Ala Lys His 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 707134 348106 557938 97114 312180 319177 352634 342530 198544 242876 1 1 1 1 1 1 Ala Lys Ser 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78101 16293 1 1 1 1 1 1 1 1 1 1 1 1 Alamarine 237222 67941 13279 70091 64016 43005 131042 77799 92517 1 11912 3885 14331 13797 2099 1 64353 1 76987 20627 1 1 1 1 1 1 1 1 1 1 165552 173868 28812 10892 17370 1 Alanyl-Glycine 1029774 1995976 2531932 1591774 2606902 2147264 1576975 287402 2057298 421461 1699130 1570284 2278088 2663200 2177729 2045580 312710 3732235 3837196 2388929 1 1466008 2946694 1 1 1000569 1406976 1 1 1 1 1068921 1 3130151 1 1 a-L-Arabinofuranosyl-(1-3)-[a-L-arabinofuranosyl-(1r5)]-L-arabinose 172143 13448 253822 171957 228893 218452 148448 71239 22189 8246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154663 84134 1 4459 4665 3310 Albafuran B 1129185 1034923 1125738 1022221 1213371 1470927 1034889 1342770 1030444 1044358 1045429 1252476 1012744 1060817 764219 868741 1062309 1277071 989415 975011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Aldoifosfamide 188437 347114 279677 565387 136089 27439 10020 91766 194904 133450 788208 184488 259347 468655 189835 136492 490492 120397 366584 80002 1 1 1 1 1 1 1 1 1 1 66679 334268 103691 120875 157189 357508 Alhagidin 237649 197689 70443 121036 210852 79001 175336 57067 74488 157111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Aliskiren 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306636 570771 275295 236500 271691 281555 all-trans-Carophyll yellow 102346 122834 41262 90535 32339 38573 28250 59019 76099 54746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 all-trans-heptaprenyl diphosphate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99568 142967 103337 1 46415 1 39647 51212 46860 113465 1 1 1 1 1 1 all-trans-hexaprenyl diphosphate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28696 32979 44098 49993 24620 36619 33680 31880 1 33410 1 1 1 1 1 1 alNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:0) 229023 170541 361323 157353 283267 161873 190047 197568 245078 103780 279434 162717 294467 213069 158454 262502 119557 116949 143510 175151 199968 140568 238795 111264 143139 188736 112217 121517 173553 162741 269785 314856 263105 242468 260109 236235 alpha-kamlolenic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16874 22485 35578 35034 21802 1 26247 1 1 1 1 1 1 1 1 alpha-kamlolenic acid Esi-15.540627 1 1 1 1 1 1 1 1 1 1 504194 392037 463621 403250 386421 250534 508188 496209 346931 299487 1 1 1 1 1 1 1 1 1 1 447234 250422 549771 484122 513081 491013 Alteichin 249538 1 283501 275117 212171 161441 87789 18811 157738 254360 225765 185330 293801 198817 207213 212076 198096 227456 225903 260805 204211 88212 582478 165269 179552 223386 264388 214300 101778 221791 243370 179399 267974 88292 269243 148033 Aluminum acetate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434661 133654 115128 299126 328638 485348 Aluminum acetate Esi-5.152 1 1 1 1 1 1 1 1 1 1 73381 1 1 595051 1 1 1 995186 426116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 AM2232 29982 123149 6809 10489 11761 1 31504 26182 18759 1 1 10878 3158 1 1 1 42013 1649 68786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 AM251 20234 54720 1 1 1 1 9590 26317 45522 18628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Amarogentin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19695 1 34054 20420 18057 1 23259 16924 1 30164 1 1 1 1 1 1 Amastatin 1 1 1 1 1 1 1 1 1 1 117283 53666 14058 1 1 141913 1 109652 1 1 1 1 1 1 1 1 1 1 1 1 71222 72341 70480 75979 27768 73145 Amataine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96266 80035 1 588526 268195 1 106014 355236 99475 1 30747 32152 202685 173197 85441 170030 Ambrettolic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21614 38040 3110 37154 1 6892 Amidosulfuron 90100 203261 6711 37743 88149 166866 51091 266626 168038 129431 130358 83894 237564 179384 167535 81713 187171 106511 178870 259397 73778 152127 10287 167548 181820 68985 94387 192353 46105 173213 1 1 1 1 1 1 amifloxacin 158965 51015 150313 125812 55591 101169 75572 59185 63420 47415 53688 49268 64766 41232 37414 41250 60349 62318 47316 23414 43828 70191 150961 69723 68425 38692 77362 38653 42141 71481 123383 72444 58358 47034 48707 55108 Aminocaproic acid 101394 54046 231106 91363 1 93425 116095 39068 43923 153372 1 1 1 1 1 1 1 1 1 1 76945 32452 346247 52042 62203 1 141709 1 58009 1 78710 1 1 93338 1 90903 Aminofurantoin 10317 1 1 33050 11847 1 1 6907 1 1 1 24518 37215 1 21809 1 22985 1 1 13894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Amlodipine 172602 168256 187994 146787 113627 131199 154639 141133 151609 122304 140176 118076 122133 139417 140681 129988 122693 109624 121849 124892 104624 81687 1 134554 125382 118652 108093 92726 111914 93901 137286 121307 140921 140957 50727 136659 Ammodendrine 1 1 1 1 1 1 1 1 1 1 24838 1 1 1 44099 78773 1 1 1 29159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Amorphigenol O-vicianoside 1 1 1 1 150538 151760 7795 164224 1 1 283556 186361 74121 267136 228432 36015 216344 260450 240166 239258 192550 237970 217771 216352 313384 285438 249029 253437 65189 80929 238148 59153 210809 118864 160339 285624 Amphibine A 53565 63402 175311 76297 74670 59869 71357 67579 1 87614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Amphibine H 1 1 1 385355 381818 1 1 401594 463544 236908 362552 525189 347010 253447 1 562078 440971 408446 384438 478035 323650 276152 192155 335667 1 445530 244411 241741 377288 1 1 152044 279540 253863 1 264169 Amphibine H Esi-15.1 1 1 1 1 1 1 1 1 423586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Androsterone glucuronide Esi-10.629364 7610 4333 1 135836 186790 48439 8689 1 1 1 1 1 1 1 1 1 1 1 1 1 14474 171546 44877 1 1 1 1 74226 1 14012 1 1 1 1 1 1 Androsterone glucuronide 1 1 1 1 1 1 1 1 1 1 67521 99077 1 1 20572 102184 1 49120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Androsterone sulfate 1004520 562889 840378 485434 829687 772590 668267 381005 405459 382816 659903 809146 583784 679444 469618 587937 646194 655994 565138 567468 669570 678574 994898 691732 663821 488215 502908 618933 339738 330219 504107 524788 611339 784317 541003 706975 Angustibalin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48338 1 1 9676 1 1 1 1 1 1 1 1 1 1 1 1 Angustine 20762 18079 36387 46320 26661 34054 65519 50465 19210 10455 100030 20137 17044 8687 22544 1 31634 25068 5480 11650 1 10562 29126 142785 106956 92481 9763 15965 10384 14282 52368 30084 39633 29852 36458 31525 Anhwiedelphinine 1 1 1 1 1 1 1 1 1 1 137317 11878 1 1 22411 6637 28970 9253 4486 10458 1 15664 17732 343545 199153 112578 5438 14979 7734 17765 1 1 1 1 1 1 Anhydroicaritin 3-(6'''-acetylgalactosyl)(1-3)-rhamnoside-7-glucoside 1 28131 12845 236832 58290 254622 159583 61137 15461 16188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Anigorootin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411773 236414 66013 30175 32202 24043 Antillatoxin B (red color) Esi-14.678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3596943 1 1 1 1 1 Antillatoxin B (red color) Esi-15.468799 589190 1 663119 337441 1205144 1 361598 1 102967 216766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44758 87707 1 42220 1 1 Antillatoxin B (red color) 8578081 1 1 8579210 1 1.71E+07 1 6581386 2.10E+07 1.88E+07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Apigenin 7-(6''-crotonylglucoside) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8499 1 62072 1 1 1 1 1 1 1 1 1 1 1 1 1 Apovincamine 49764 19589 7091 8059 10731 1 14375 4373 3497 2654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Aprobarbital 1 322133 1 1 758711 1 1432612 943124 1 1619408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Arachidic acid(d3) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13411 1 9133 35756 9490 10428 3927 8266 1 1 26096 14750 19756 21636 10629 17624 Arachidonoyl Glycine-d8 Esi-19.228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55714 102675 30049 1 91776 1 Arachidonoyl Glycine-d8 Esi-19.229002 163942 1 174257 82274 26298 181568 86441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Arachidonoyl Glycine-d8 Esi-19.351 182106 1 158875 88792 29767 174344 72540 1 48973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Arachidonoyl Glycine-d8 164472 17543 174907 82560 26272 182023 84464 63799 47489 29267 43711 88892 56265 40207 89657 34390 72088 78770 52025 44396 55599 89189 188951 83743 56207 46710 28404 48505 49797 38546 129197 74760 91941 104615 1 1 Aragusteroketal 1 1 1 1 1 1 1 1 1 1 102114 42782 67042 48069 71596 87234 131534 108069 17847 63810 66026 148051 17793 13407 1 1 1 1 60871 45542 1 1 1 1 1 1 Araloside S1 Esi-15.079001 1 1 1 1 1 1 1 1 1 1 211154 298148 242816 191376 1 304775 1 177852 177446 218102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Araloside S1 1824262 1480924 1823131 1435219 699083 1286263 1426448 1567454 1593704 1316602 1 1 1 1 1 1 1 1 1 1 1407185 1388523 1462576 1369921 1295084 1324408 1316793 1436067 1304104 1231596 1 1 1 1 1 1 Arg Gln Pro 1 1 1 1 1 1 1 1 1 1 384646 447561 523203 146072 21644 163600 148775 41621 149897 130769 613567 448197 518347 374386 291789 552357 403999 497739 577977 209410 101467 125453 414343 169214 449860 450165 Arg Glu Pro 143303 234065 171970 135228 110413 137066 143304 111476 111991 51526 264025 171501 228450 209174 170742 153987 221970 157286 205459 162750 245330 151356 230983 353438 194911 127083 270805 126216 188649 87705 126354 153330 201636 240299 233852 213598 Arg Gly Cys 176458 199872 208848 119615 174648 171822 161782 122807 188919 254727 276860 189115 278751 203792 187169 179019 177269 194042 195167 202492 317948 202248 327639 177763 136755 177987 176633 186050 86688 150259 82280 110886 181515 111236 217252 229867 Arg His Val 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2456 30957 1 8013 6652 13328 1 1 1 1 1 1 1 1 1 Arg Met Glu 33463 155159 34375 1 1 1 10690 3687 88627 64235 128160 208132 171838 211496 169921 155644 216148 191241 212856 171613 184082 162264 198603 307800 198772 121920 176914 167301 128903 108664 36857 9792 127371 181008 165120 163760 Arg Met Pro 1 124976 1 637779 142999 1 213724 238977 156342 239510 1 1 129295 124212 1 66461 100007 1 97987 79339 1 1 1 126039 111724 49894 102049 73852 57577 1 608832 113121 117648 1 99340 85154 Arg Phe Phe 137212 17769 121223 19663 21396 63596 77993 12247 29338 67097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Arg Phe Pro 59046 71148 19743 12456 176537 60015 67545 47562 112034 17090 52089 77394 57618 45577 68568 85888 27449 44006 43887 95445 44731 104618 53543 57669 68817 71350 73730 56621 98703 77815 53493 78022 89777 60193 86573 45889 Arg Pro Phe 1 1 1 1 1 1 1 1 1 1 238414 157789 387449 203527 292804 228845 173006 201683 235848 153504 391745 243066 273613 193794 222549 196934 260533 203114 241941 237429 259504 214136 302524 242740 264857 234664 Arg Trp Phe Esi-13.224999 94170 68927 130774 43453 63584 60236 58617 84335 27883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Arg Trp Phe 51126 88137 1 47452 77586 1 53717 92280 101667 40328 1 1 1 1 1 1 1 1 1 1 75197 1 138613 1 65650 59226 17448 39569 47074 67397 1 1 1 1 1 1 Arg Tyr Arg Esi-15.564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205398 1 44554 1 1 1 1 1 1 1 1 1 1 Arg Tyr Arg 1 1 1 46627 28904 29041 15153 17970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Arg Tyr Arg Esi-11.43104 5468 9505 1 84986 103713 40997 1 1 1 14870 200619 184699 23332 1 7904 53264 1 97649 1 8943 10873 332597 87174 1 1 1 49339 110651 1 18987 78132 26763 44698 93357 86794 79326 Arg Tyr Phe 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74230 65341 20104 61117 143872 39159 44164 87265 38326 11024 1 1 1 1 1 1 Argenteane 190332 90203 140781 103284 1 26494 91539 194286 111268 1 141347 159320 76086 1 1 176961 121369 106197 108504 100223 76676 1 1 65534 105843 1 116108 1 1 1 1 1 114772 99945 101143 96019 Argentine 1 1 1 1 1 1 1 1 1 1 48842 74459 59313 72915 51575 62146 63380 47060 58971 55051 59793 64174 101438 82213 63657 42793 55093 60599 49249 46345 12266 1 64526 66508 70073 69347 Argininic acid 1 1 1 1 1 1 1 1 1 1 153685 176169 373780 272743 280460 376155 84953 515681 304159 195510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Argiopinin III 78641 47622 43465 118386 88042 103162 116931 133527 72955 47979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Armillarivin 2.32E+07 2830258 2.10E+07 1.53E+07 1.97E+07 1.72E+07 1.70E+07 5223837 3043388 1073287 4270012 2503675 3078729 2457317 2138638 2494126 1881095 2001087 2041585 1655319 2951183 1645843 4272339 2657317 2338016 1558788 1108737 1625197 1099884 900601 1.48E+07 1.35E+07 3213123 2917277 3147935 2423232 Armillatin 1 1 1 1 1 1 1 1 1 1 127362 106465 136232 1 43378 1 1 1 1 181754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Arnamiol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38245 1 1 1 1 1 1 5795 1 1 1 1 1 1 Aromatized deshydroxy-C-1027 chromophore 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190033 131332 108995 104818 81624 123884 Artocommunol CA 26330 95123 28839 1 15205 70623 6576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Artonin B 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41095 22214 66707 76553 37939 24488 44522 32270 1 36329 1 1 1 1 1 1 Artonin B Esi-15.222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47720 1 183913 85738 1 43414 81764 1 45434 1 1 1 1 1 1 1 Artonin C 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207791 183988 223473 186542 200245 111264 156252 185015 86295 1 1 1 1 1 1 AS-1269574 71885 361462 1 16620 153120 1 1 137166 230620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ascorbate 2-sulfate 98855 1 128927 184645 1 1 1 1 203930 107647 146076 1 1 1 1 1 1 123257 212260 122178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ascorbyl stearate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213774 184546 43528 405412 261257 52896 1 187048 22738 154164 328020 314753 154841 57575 65566 126541 Asn Asn His 1 1 1 1 1 1 1 1 1 1 230450 436640 298086 395686 360213 329557 440681 421482 341746 371954 370285 420696 498040 410055 379343 339815 264222 362287 192047 661082 210075 45261 319440 404476 348998 1 Asn Asp Cys 131854 8043 47389 41007 60108 154249 38146 38918 1 21688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Asn Asp Cys Esi-1.274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27790 1 52297 1 1 1 4181 32368 13173 1 1 1 1 1 1 1 Asn Leu Tyr 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15417 17832 104513 54066 34536 15160 24810 19103 13951 45016 1 1 1 1 1 1 Asn Trp Gln 1 112860 47137 8094 1 1 1 85462 163597 102272 201940 131564 160345 142779 184939 196232 198074 130895 200044 128852 98791 105263 227771 173081 134766 105803 167692 80397 119328 51817 37342 82318 193677 175417 158316 150924 Asn-Trp-OH 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99895 154246 218306 181653 169873 201087 110175 121498 180901 167217 1 1 1 1 1 1 Asp Asn Asn 115390 227583 171248 82999 159519 61379 67553 56483 140195 98981 394117 275829 191409 324524 291311 262642 255035 239963 262519 287918 235898 230226 313243 347914 326837 461557 229133 268553 271656 198498 100721 252313 335277 239617 280187 339456 Asp Asn Asn Esi-13.780001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138848 221629 93260 263558 262192 275538 233245 257779 245233 199951 1 1 1 1 1 1 Asp Glu Ala 1 1 1 1 1 1 1 1 1 1 108425 92361 8813 100905 93126 65738 92465 70415 91911 86545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Asp Glu Glu 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50375 24781 13735 1 11585 1 1 21333 1 1 1 1 1 1 Asp Phe Trp 1 29153 1 1 1 1 1 14541 27438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Asp Tyr Cys 74111 42771 61020 35806 76179 62413 47969 27877 27681 53722 36384 33172 22251 29888 20034 36355 28963 33317 24370 26413 43690 43467 69462 35948 33490 29213 26682 33729 35102 19209 27410 40093 47441 48111 42321 63662 Asp Tyr Gln Esi-19.117998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389964 349039 598886 361552 356106 353416 276798 1 300822 1 1 1 1 1 1 1 Asp Tyr Gln 3463854 406669 4793843 3665276 4214857 3869898 2121276 1006935 600324 370527 675072 433044 497254 380495 285986 351678 400470 412339 331832 307304 1 1 1 1 1 1 1 1 1 1 5444832 2005513 540319 377470 410500 416674 Asp Val Lys 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133998 442771 9260 1 879974 1 Asparagoside B 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 953534 947760 834476 1137291 829637 1493820 640890 544771 698396 555245 1 1 1 1 1 1 Asparenomycin A 1 1 1 1 1 1 1 1 1 1 82296 92452 80395 73441 84224 93593 91963 99620 93540 96522 82737 85573 88505 83404 91363 86926 82384 99412 92117 98913 40435 44893 81093 86775 93679 91430 Aspecioside Esi-24.107 1 1 1 286306 931988 872546 110204 1096816 626454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Aspecioside 549361 1140787 2666997 1539077 1607078 1463033 1073626 1761532 1464189 1785578 2450723 1056027 2397625 1796504 769148 1420018 986298 1599131 1871593 1537349 2141965 1303015 2056765 363820 1026457 1483350 1095846 571803 421256 749250 272049 1048920 2369811 434984 1906082 1606211 Asp-His-OH 566059 406676 479707 447414 581874 392002 1 455399 404556 75940 390419 399079 317808 367207 1 381774 431127 343790 390745 323126 399759 387676 1 275551 391443 410780 1 351588 404437 208908 583557 356355 348566 1 218351 306829 Asp-HoPhe-OH 155834 408992 399130 401248 380813 339353 344958 417885 417413 412214 421309 442569 397859 338162 273932 419993 407938 399720 383632 430408 411500 406265 390935 391880 412192 405940 437064 358410 407328 402535 452251 492239 473998 520011 525580 540300 Asp-Met-OH 185554 244972 251412 139324 257653 182406 88016 123412 185354 280619 266025 222081 339674 220824 178929 203093 229127 74101 247077 304160 212617 172492 571034 193472 230279 160465 87282 23868 76993 251198 116965 209919 84057 58574 76522 116303 Asp-Tyr-OH 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112982 735811 284301 499183 240775 401081 493734 123529 485164 445180 326109 246566 1 511579 595740 692838 Assamsaponin B Esi-14.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77614 34302 39251 39346 26073 42625 75098 46478 68646 41587 1 1 1 1 1 1 Assamsaponin B 132663 165513 99255 306019 107863 237314 159961 124417 125346 206904 217465 233896 207626 177852 325877 146577 168744 402342 372654 236378 108028 127063 182573 83753 294786 122629 305925 77182 115922 292222 1 1 1 1 1 1 Asterlingulatoside D 229164 163310 191054 267481 217695 120445 206471 252535 236890 108898 139641 244828 507197 238837 256066 267882 208697 123308 227136 235554 126017 41755 71523 143888 98407 119319 144267 65640 133515 136303 212885 174738 144444 140740 84899 108586 Asterlingulatoside D Esi-14.568447 411732 237881 491491 352679 173282 341118 323478 319388 328661 157204 244480 80690 186433 157053 156412 219872 163665 144882 168690 189900 458253 343096 437672 215973 401707 433087 371680 348902 377029 374468 401254 354928 282567 272377 250496 230714 Asterlingulatoside D Esi-14.979998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125967 83152 85430 144328 163439 149667 278673 203029 264978 190448 1 1 1 1 1 1 Asukamycin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21359 31697 1 17847 1 41206 15318 23952 11939 25174 1 1 1 1 1 1 Athidathion 36813 284178 198222 173371 52615 127406 170558 128061 444628 6165 435460 62639 78737 145692 99932 160761 179217 134665 111910 96472 84454 157769 198469 111276 26257 98068 32482 116901 190066 51265 1 1 1 1 1 1 Atorvastatin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99093 11010 1 31166 1 1 28644 1 1 47811 31621 64660 49463 1 Atorvastatin Metabolite(meta) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4396 133748 330054 1 1 1 1 73645 1 1 1 1 1 1 1 1 Austalide I 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83781 1 1 1 1 1 Austalide K Esi-21.41584 107302 35897 71045 75656 200937 61383 87449 50996 52495 28412 76494 51064 60754 40270 1 75322 34871 32534 49557 45869 1 1 1 1 1 1 1 1 1 1 73441 74003 62767 48452 49296 59661 Austalide K Esi-23.763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123116 126545 172484 42363 50500 128686 121029 131844 61897 109217 1 1 1 1 1 1 Austalide K 1005025 946498 1261929 1291064 441185 1002705 974578 1157276 758292 1005571 833373 416065 330632 693325 854599 391990 525368 586902 585667 448113 16469 80906 38186 181156 65330 63509 790118 37695 19302 12245 643081 388737 813393 825347 796851 803723 Austalide K Esi-15.217778 809371 744248 1086073 990870 387895 786802 765291 900582 617977 784502 1 1 1 1 1 1 1 1 1 1 515062 582464 1 1170481 897504 395269 1 476697 527915 582276 1 1 1 1 1 1 Avadharidine Esi-15.600999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7689 287398 1 24077 49790 9978 1 146736 219322 1 1 1 1 1 1 1 Avadharidine 314439 371457 380668 175769 515612 308112 304035 388613 521700 197591 229012 369395 349385 294222 226522 366942 1 1 229719 310089 1 1 1 1 1 1 1 1 1 1 468522 415762 271437 307246 261091 251349 Avermectin A2a aglycone 1 1 1 1 1 1 1 1 1 1 109145 177593 114478 511290 50134 204873 254741 253337 121567 119569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Avocadene acetate Esi-18.514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472237 Avocadene acetate 631600 227763 1 1 1 1 1 174724 356380 225285 608988 574342 717506 1 403154 615461 561363 537584 391252 558027 673125 496879 637129 489603 386738 603647 444307 536536 673271 261811 732048 959342 397921 392020 420335 441923 Avocadene acetate Esi-19.501625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21849 11110 25400 783272 111285 20531 7029 8800 8682 10898 122067 92622 68746 73702 70320 62071 Azaconazole 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86180 91019 146640 40058 63497 61971 73145 46313 58571 67043 31849 32190 19289 34151 22063 23117 Azafenidin 1 1 1 1 1 1 1 1 1 1 46712 2973 47542 1 20663 69615 68095 1 23944 46029 55186 1 1 40166 70285 5652 1 40144 1 1 39360 1 1 1 31665 37483 Azimsulfuron 333877 1 334560 206967 256822 234342 253737 62750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Azimsulfuron Esi-20.36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238453 188791 1 1 1 1 AzIV 50160 8111 30151 31874 88504 52027 47936 14578 54668 202890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Azoxystrobin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39188 34423 1 410726 48339 399215 Aztreonam 1 1 1 1 1 1 1 1 1 1 38225 26540 42897 29723 26391 6111 28477 26238 33639 45709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 B-(4-Fluorobenzoyl)propionic acid 1 1 1 1 1 1 1 1 1 1 875255 244036 1063816 620608 426359 2335902 1499775 820778 539661 1241110 681176 54828 2470202 428695 551772 615805 262911 118160 173032 206844 844027 650991 1459628 1631826 1694714 994308 Bacampicillin 649979 186059 745335 627163 722936 898985 624616 806211 411620 243856 202056 96064 98969 98543 64844 60476 84194 106813 84223 65325 94707 77820 177540 98770 72054 92189 61677 75915 76345 67925 848174 841384 137068 95147 113098 91997 bacteriohopane-32,33,34,35-tetrol 1 1 1 1 1 1 1 1 1 1 451530 372927 359469 81374 32188 89651 323927 63305 76184 76644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 bacteriohopane-32,33,34,35-tetrol Esi-21.027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 bacteriohopane-32,33-diol-34,35-dicarbamate 469354 117955 480340 309442 308443 404625 262877 215910 102656 130751 218726 204347 176041 166579 92803 83045 105570 203420 135475 107364 148934 126627 390115 272046 155651 124211 108395 156882 113717 137555 333255 353718 173457 194628 183534 166607 Bacteriorubixanthinal 383589 1086054 611023 534977 677633 752302 628783 765572 767899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Balagyptin Esi-11.428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42318 38043 42169 87592 82948 71998 Balagyptin 681590 1 148872 266522 300404 78513 1 206267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313456 285165 362705 400569 373006 318225 Balanitesin 199973 141841 221413 240627 86169 169828 255458 226351 235563 396893 139532 386842 400804 81090 293556 58193 344259 396022 345634 99201 127592 167105 329776 134069 272660 106635 323962 318532 179540 399729 69534 108276 92599 203136 108324 37811 Baliospermin 506543 210280 616224 253242 536637 482790 338056 276126 306138 225267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Baptifoline 9158 1 18406 61371 123373 92302 1 1 8036 59349 50902 1 160469 53470 218346 141969 20497 143289 1 44957 134340 8301 1 39426 28572 44324 52655 163017 69394 1 1 1 1 1 1 1 Barbituric acid, 5-ethyl-5-(2-hydroxyethyl)- 162428 47409 176072 176873 91697 289106 208059 50910 44380 243143 76433 42121 120789 1 49889 62129 88024 80022 74042 59932 216421 40491 156733 54122 45934 44747 206441 93942 58350 1 1 1 1 1 1 1 Basellasaponin B 124839 44882 128624 123781 133091 144044 99080 91817 50648 38236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160676 122789 46883 37103 43789 40463 Batrachotoxin 63543 1 197069 76352 62972 133398 128754 1 1 838584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 bayogenin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62603 292575 40744 28497 39963 30816 BAY-u3405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8699 189238 1 1 2503 6533 1 1 3294 1 1 1 1 1 1 1 b-D-Glucopyranosiduronic acid, 3-(6-methoxy-2-naphthalenyl)-1-methylpropyl 1 1 1 1 1 1 1 1 1 1 14555 59902 29115 23471 45102 24199 18137 79986 74106 40604 25752 28145 17309 19521 60820 74465 34226 55458 54093 37530 1 1 1 1 1 1 Beiwutine Esi-14.055 448058 773875 132601 507551 466856 244565 542669 156840 758046 532599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Beiwutine Esi-13.659631 1 1 1 1 1 1 1 1 1 1 159388 71347 288109 219893 80178 186510 103082 277512 1 133058 129638 30409 167643 186620 126428 155117 88181 112103 154331 63229 1 1 1 1 1 1 Beiwutine Esi-15.477 1 1 1 1306902 1 1 1453365 1 1 1 838781 770513 858247 826097 916926 659775 866080 844008 864552 716012 1010575 706365 854010 838797 882190 853062 950286 1 405550 965245 3270515 1121824 757998 808096 705552 832806 Beiwutine Esi-14.034541 681293 821449 391440 550276 419993 8695 594043 66030 724010 359753 383577 706450 339542 470178 408148 657250 484292 448087 417076 635003 490690 808834 435289 309468 492926 437382 489099 567902 493101 1 746125 404311 497435 520969 537288 540262 Beiwutine 979396 1023102 570748 908522 1022908 674300 857502 767676 651801 1496424 258320 1150571 1316746 278825 278095 830473 1386335 169995 294733 548335 630617 790662 659549 460324 257603 426736 934297 370442 236253 1117064 746039 1004512 590828 465639 621473 815855 Beiwutine Esi-14.235663 271886 392435 409885 168801 159980 190265 168230 129659 233174 1449152 1343369 79482 1317354 139740 883807 338983 322208 1001492 1197249 318188 225278 221402 393548 300555 95235 271166 1107822 94268 105369 1149424 333977 414932 194161 336118 259462 136086 Belladonnine 1 385527 67124 1 18936 66503 132945 207747 313588 61711 1 385851 1 271333 145175 80311 1 193936 10391 248249 109794 9590 109567 387103 209555 1 159903 1 131437 91272 1 1 295818 348763 298076 407953 Benazeprilat 105056 362706 85049 1 91746 1 24432 208773 350873 1 1 1 1 1 1 1 1 1 1 1 32826 30114 347577 81820 45987 1 66091 57448 1 46486 77135 84318 111726 91980 75612 80293 Benfuresate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1693 20728 11698 29782 52447 21033 4941 6334 1 14164 1 1 1 1 1 1 Benoxinate 22533 212326 52125 1 9029 1 1 25790 51324 30231 1 1 1 1 1 1 1 1 1 1 5235 72370 53717 51001 137462 61772 25103 83971 47807 45088 1 1 1 1 1 1 Benperidol 391541 205063 425460 513380 455219 583786 484896 502630 213099 176295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366042 565895 251647 244579 1 1 Bensultap 338340 210019 303826 221880 261512 259033 252952 227013 236717 201601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50922 151591 168205 79404 175534 162201 Benzanthrone Esi-1.2634615 6079458 474991 7939244 304692 318318 9960115 6564013 1620413 564639 1.12E+07 574791 462045 302612 510443 354266 1046597 1039185 580149 561894 348248 1 1 1 1 1 1 1 1 1 1 685493 617958 714837 1294653 871795 693446 Benzanthrone 6867986 388465 5005529 3134833 1500674 4695511 401112 1734415 593913 1.63E+07 7551024 124896 368768 812889 477254 1046597 2853413 929286 167239 402599 3622406 570257 851090 628441 714752 223121 7049569 581406 692850 792544 5879231 5654958 5444132 4278425 6186583 4885582 Benzanthrone Esi-3.2669997 218714 158839 49349 81009 202809 219664 103383 168701 48821 68480 94367 16434 71185 29131 86678 141797 52777 40072 34640 11781 1 1 1 1 1 1 1 1 1 1 23135 91230 1 38496 13658 84961 Benzenepropanenitrile 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9706 1 3709 1 6846 1 1 1 109839 1 1 1 1 1 1 Benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)-benzoate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46811 1 1 38165 23945 Benzotrichloride Esi-1.2819998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85429 96877 297309 46010 156345 131713 60219 309869 186916 138255 1 1 1 1 1 1 Benzotrichloride Esi-1.3895001 435988 135618 1 430034 84480 539186 201838 102909 121274 464400 280038 86835 82143 252839 1 20303 387677 417862 157651 120482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Benzotrichloride 437004 207460 194723 439562 181204 564717 206449 102909 35109 516408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Benzyl beta-primeveroside 194817 113154 1 191076 1 128517 1 87927 93892 55986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128328 140804 142628 120105 136400 140376 Benzyl sulfate 1206304 4467452 1.04E+07 1081996 3275494 2825475 1742401 3067169 8062858 5562475 3920477 2618114 7783598 5134152 5992482 4691484 3039597 5062399 3620646 2653576 173027 2371763 1616710 1876556 6186074 5648475 1170560 3233742 6283977 1.64E+07 4655221 4688835 4784082 5047386 4898718 5150689 Bestatin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339885 1515930 1360598 1346778 1301408 1330692 beta-Zearalanol 31127 171095 28631 1 1 1 1 1 18160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201356 1 45271 1 1 1 1 1 1 1 1 1 BIBB 515 412075 1 345689 313127 309054 409135 187611 77128 33583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440961 232767 1 1 1 1 BIBF 1120 148950 83594 1 78533 97535 118148 125772 53176 81148 66513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 BIBF 1120 Esi-13.157214 1 1 1 1 1 1 1 1 1 1 60656 93078 110054 75966 100327 138700 97459 76744 58974 1 99557 44127 1 87097 74375 87100 63191 54367 85059 28347 65256 34685 1 54077 27499 71539 Bicuculline (+) 88445 96204 102486 107825 75306 89634 97040 85885 100198 93499 77284 78184 82048 64876 71697 61458 79329 112075 74588 83575 68836 93817 97039 63871 70357 50187 99420 65844 68839 1 1 1 1 1 1 1 Bifemelane (M5) Esi-8.8342 1 1 1 1 1 1 1 1 1 1 24244 52598 29006 38069 40099 64521 1 25859 28704 58705 1 1 1 1 1 1 1 1 1 1 51913 52611 55063 51603 50720 53718 Bifemelane (M5) Esi-8.831946 24095 1 29724 26931 57851 40135 43300 24677 53529 18855 1 1 1 1 1 1 1 1 1 1 34304 66555 35741 37111 43308 54954 20456 19056 32491 78231 1 1 1 1 1 1 Bifemelane (M5) 85146 68541 59919 46850 30450 42533 46273 46529 53150 18639 1 1 1 1 1 1 1 1 1 1 29032 31703 40108 49751 48253 45174 16456 10485 60011 27395 47592 42887 49075 48000 42294 46455 Bilirubin-glucuronoside 62954 36176 42541 46389 42193 47671 58583 53059 41537 56254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Biocytin 1852629 1 1794424 1334038 1640627 1835117 1811121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Biotin-X-NHS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537989 734261 1 534932 171212 1 220371 530558 361320 1 1 1 1 1 1 Bisacodyl diphenol glucuronide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25660 14049 84790 3527 12402 1 12683 12416 16309 1 1 1 1 1 1 1 Bis-gamma-glutamylcysteinylbis-beta-alanine 1 1 1 1 1 1 1 1 1 1 93873 80697 94051 73100 106787 117997 90124 96252 143605 52026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Bisindolylmaleimide I 1 1 1 1 1 1 1 1 1 1 89109 1 40669 257879 75778 89048 92479 103047 64237 58697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Bisindolylmaleimide IV Esi-9.834455 1 1 1 1 1 1 1 1 1 1 56024 53839 86113 1 23909 69871 1 1 18850 13091 17541 30975 1 58258 1 1 1 75181 1 1 1 1 1 1 1 1 Bisindolylmaleimide IV 1 1 1 1 1 1 1 1 1 1 20315 21314 26103 16931 40742 183911 8321 27690 18291 12749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Bismurrayafoline E 410102 424180 395836 281007 379661 401710 421479 333868 422453 477475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Bismurrayafoline E Esi-15.327252 276032 73353 297340 216205 104024 140828 164140 120819 117157 156119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160923 121009 108266 98330 112961 106621 Bispyribac 1 1 1 1 1 1 1 1 1 1 79910 57065 67920 59549 75530 154736 99537 88306 53743 17076 1 1 1 1 1 1 1 1 1 1 1 51649 71759 60613 1 1 Bispyribac Esi-1.513 26890 1 1 86978 13119 56972 7474 1 1 70551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 BIX01294 1 1 1 1 1 1 1 1 1 1 119833 116604 77952 16533 1 18325 76392 75447 156833 75296 112465 83562 1 262113 86782 214055 9679 72268 44815 1 172743 4385 18463 44926 35398 209766 Bluensidine 1 1 1 1 1 1 1 1 1 1 18110 44718 30618 12543 13432 233452 23839 24298 23089 25347 50125 46805 14294 37344 96594 24272 1 62576 27842 13949 1 1 1 1 1 1 Bluensidine 6-phosphate 551076 1 217345 288369 231062 186026 1 175188 1 580398 1 1 1 58955 1 1 146163 134525 1 39846 1 1 1 1 1 1 1 1 1 1 493029 1 91691 154234 1 1 Bluensomycin 1 1 1 1 1 1 1 1 1 1 53672 77095 1 100847 99054 175439 246285 125095 137101 168677 1 1 1 1 1 1 1 1 1 1 32500 28060 105815 121326 193022 1 Blumenol C O-[rhamnosyl-(1-6)-glucoside] 1 55594 72551 54060 60867 55763 39556 64730 31636 67634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 BM 567 1 1 1 1 1 1 1 1 1 1 259973 266922 231070 252439 249325 223966 250611 258555 243296 254149 282781 260050 237534 265703 274803 248926 276736 264802 285073 275698 1 1 1 1 1 1 Boc-Phe(NMe)-Gly-OMe 1 1 15393 1 66705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Bopindolol 15716 150251 179845 191039 1 138679 128884 199358 1 194038 154878 1 139367 146181 158825 63723 124173 136530 127424 81578 78734 80516 317510 161405 142269 75283 100968 104956 83007 81859 125235 73196 89012 105158 101863 111978 Borrelidin 1 1 1 1 1 1 1 1 1 1 205359 145210 134182 151611 143821 159325 167735 205070 147090 108026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Botrydial Esi-14.114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 982977 860291 1023754 1015746 1 991239 Botrydial 921988 679259 125696 640722 390217 1044986 128974 689995 218919 540193 378966 1253709 464566 642036 411168 393768 818524 864152 665573 797902 365165 1045409 1099835 565480 921741 666451 594380 788180 322664 704021 647178 676367 873594 859287 486985 459262 Brianthein X 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199436 167838 59085 50530 55279 51748 BRL 32872 Esi-13.780859 1 1 1 1 1 1 1 1 1 1 644861 408523 314701 446169 421009 405757 392886 366463 648337 435191 371919 1 713581 711308 1 443651 1 1 1 1 1 1 1 1 1 1 BRL 32872 384567 943853 1 1288404 1 830638 1 732268 1026564 1273095 1220208 885714 1151437 1027051 1048343 1048140 980210 1124392 938618 891865 1076557 483853 1339979 1171171 1163728 950306 1002265 997585 785385 450425 1354828 1147091 1062500 1246980 795984 900180 Bromhexine 66606 66405 42724 21642 103737 205495 13666 241037 11230 24977 1 1 1 1 1 1 1 1 1 1 27930 81177 138301 144993 109301 106220 147687 82370 175376 147363 1 106936 1 1 116197 31630 Bromocriptine 116038 109645 44571 1 98787 116012 51175 105392 111885 58207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144421 34005 107383 121611 1 146041 Bromoenol lactone 33312 166804 35221 80373 120313 15896 139150 50207 55067 6762 1 1 1 1 1 1 1 1 1 1 21401 131858 164218 45364 104003 10366 63032 99603 136031 39947 1 1 1 1 1 1 Brompheniramine (monodemethylated) Esi-0.844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276057 1 1 9317 1 1 1 1 1 1 1 1 1 1 1 Brompheniramine (monodemethylated) 24412 1 1 1398 365252 397381 1 1 1 19687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Bucladesine 89811 281431 120052 61087 57209 331305 37308 64845 1 22934 11587 10565 22684 1 54120 1 1 12212 25087 17047 1 1 1 1 1 1 1 1 1 1 213412 54576 97243 76106 66440 69277 Budesonide 1 1 1 1 1 1 1 1 1 1 76940 104408 72537 15058 39942 4063 36119 134144 74469 81297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Bufotalin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8767 1 36131 50338 37390 40915 Buserelin 25851 60710 47273 34458 45070 58567 28946 68421 83946 62529 1 1 1 1 1 1 1 1 1 1 51676 97476 47696 45413 56001 60153 48128 40406 123463 50488 1 1 1 1 1 1 Butanoic acid, 3-bromo-, (S)-; (S)-(+)-3-Bromobutanoic acid; (S)-(+)-3-Bromobutyric acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38639 32339 104663 40615 72865 32227 47510 140028 100148 1 1 1 1 1 1 butoxyacetic acid 102536 103845 102280 110588 75764 168124 92545 91607 112489 140321 90850 147475 84471 97284 98440 82098 104643 133585 48866 88403 58402 76898 234071 112618 108126 125466 84269 106357 95616 97367 104313 121134 114045 128509 114883 138404 Butyl 3-O-beta-D-glucopyranosyl-butanoate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190180 134798 157325 49169 153506 103621 141665 121943 154764 107366 132616 137738 149916 116516 111462 121233 Butyl 3-O-caffeoylquinate 1 1 1 1 1 1 1 1 1 1 1003269 565713 703256 790284 622982 814765 841342 651196 516804 749040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Butyl ethyl malonate 205647 350086 287617 211504 210863 222264 155129 219357 331658 205048 1 1 1 1 1 1 1 1 1 1 364619 372213 235144 230052 210329 327720 154665 194169 274112 217172 1 1 1 1 1 1 Butyl oleate sulfate 232662 109264 144305 81035 69116 124451 99690 38344 61237 54568 76487 52202 27675 67380 55438 52033 65796 12220 50942 53191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 BW 723C86 Esi-5.992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129206 1 1 1 2855 1 1 1 1 1 1 1 1 1 BW 723C86 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49124 56980 43435 37236 7021 33503 C14:1n-9 1 1 1 1 1 1 1 1 1 1 10697 34963 1 24147 24116 4843 26279 41305 26448 19624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C20:4n-2,6,9,12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61202 44980 399473 51476 2356 1 1 1 1 1 1 1 1 1 1 C22 Sulfatide 12652 23978 9430 23922 152369 18767 28212 49425 3865 17252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C22-OH Sulfatide 1 1 1 1 1 1 1 1 1 1 121168 492069 85430 1894073 1 662398 528503 381887 706383 471086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C-6 Ceramide 20679 17658 52009 17744 1 10164 11239 22428 5240 19188 1 1 1 1 1 1 1 1 1 1 12988 9104 53595 12343 11611 6417 6990 5937 7746 3421 1 1 1 1 1 1 C-6 NBD Ceramide Esi-16.093637 990419 1 1824962 1115479 2358897 1983150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201127 963136 1226614 1174055 1197792 1152782 C-6 NBD Ceramide 990419 1151163 1824962 1115479 2361914 1984212 1492479 1667736 1630887 1057965 1254299 914989 1451942 1305376 1365852 1254743 1110397 1025147 864820 1024083 1181666 1162889 623808 991148 1014011 1130900 908777 808536 972701 614678 1201127 963136 1227065 9442 1206548 1193519 Cafenstrole 23067 75559 64050 51220 1 129466 51191 57761 38370 45410 49218 104616 18814 73639 43488 27681 85413 93374 71202 40320 26863 40641 20674 54183 101984 80615 37051 47074 59991 50431 31263 55953 58247 79113 36074 84035 Caffeoyl aspartic acid 125197 78564 102127 66004 62539 55646 44802 20431 67865 74383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Caffeoyl aspartic acid Esi-7.343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38550 42035 20817 11887 19893 1 4655 9620 20989 17783 1 1 1 1 1 1 Calcimycin Esi-14.084 1 1 1 1 1 1 1 1 1 1 1 29119 1 1 1 5223771 3747140 1 1 130503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Calcimycin 4285032 3196979 4984065 3965385 4097789 912757 3699388 2254190 3176882 1818901 4299585 3555593 2634089 3654915 3496259 5223225 3796172 3650214 3858358 3711624 3705374 2615098 5464868 3902772 4022739 3836758 3220822 2773542 2542423 1753864 4370905 3146612 4358901 4299743 3309859 3960432 Calpeptin Esi-11.030671 235304 89199 78547 101740 93486 106857 123512 80788 74511 94410 82670 28628 71851 46995 107944 73148 93490 61375 66816 52798 22213 59971 101616 97744 67783 66940 61901 49350 34615 32219 1 1 1 1 1 1 Calpeptin Esi-13.490726 96606 189831 120442 165787 116695 204592 124985 214416 130972 221609 203011 178615 101759 190766 191903 184464 93331 185186 189812 206420 203656 188140 118404 205659 116176 132755 180325 193518 186842 180386 162041 157315 147753 201914 181185 187600 Calpeptin 45537 62822 79290 36575 18667 68220 48631 89765 82810 290179 37001 35018 131399 55142 237178 24712 40007 259131 38335 25819 68780 37626 203099 124567 97545 46286 62333 131561 113368 29291 51467 102130 79972 87124 102596 99389 Camelliasaponin C1 1 1 1 1 1 1 1 1 1 1 209692 193089 116089 170990 150396 66477 151833 190722 185463 79142 1 1 1 1 1 1 1 1 1 1 217209 177589 145787 200976 168304 77534 Campesteryl ferulate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80803 80551 65747 77422 Candesartan Cilextil 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31508 88370 1 1 1 1 19741 1 1 1 1 1 1 1 1 Cannabipiperidiethanone 1 1 1 1 1 1 1 1 1 1 287666 267243 297130 222591 220028 215665 207668 272988 333256 219016 1 1 1 1 1 1 1 1 1 1 281544 239274 297255 283772 300666 262169 Cappariloside B Esi-18.390999 343232 205134 395405 292741 276054 396711 274620 274239 185069 176186 183694 217183 142084 146949 90451 78225 145360 215654 139854 106952 159650 184776 375968 252178 178248 162191 146185 170002 146487 146248 297181 292879 197480 164066 152203 167698 Cappariloside B 707261 113156 639951 366927 395437 443345 369264 302084 162311 115990 151107 107082 110401 91707 47790 43860 65071 102147 71300 56039 94587 59453 180772 126413 74323 68398 63171 79112 62402 54945 492069 486881 111164 85995 105753 80492 Capsianoside II 249122 1 306837 236278 270287 184465 1 208923 262502 170437 358491 198390 287195 258880 197916 341789 221291 224071 212031 350389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Capsicosin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260212 197251 369167 252027 262714 328183 398657 284809 317676 445538 166412 185502 94675 106297 129636 127416 Carapanaubine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36962 64299 1 1 1 1 Carbaprostacyclin-biotin 464238 169913 66077 253517 298183 381395 481935 251121 390222 161870 237525 335569 423005 76690 250123 209211 304410 364117 182243 452225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Caribbean ciguatoxin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139194 1 1 1 96664 1 77832 73486 1 169697 183986 172430 184799 158909 174486 Carindacillin 119141 1 167617 115894 171701 82333 102590 1 25978 11012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108014 45397 7260 1 8932 1 Carmamycin A Esi-9.452 1 1 1 1 1 1 1 1 1 1 212679 619568 625666 249604 525313 604281 738468 1 203242 282231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Carmamycin A Esi-9.157391 152513 37091 163050 176870 131286 87271 77084 56480 124764 103493 80305 242297 353101 139130 39901 79521 86016 72003 78237 151402 118204 58571 162738 80050 186481 73207 41619 114540 85256 70559 202957 70573 83040 120721 119419 60410 Carmamycin A Esi-11.415 1 1 1 1 1 1 1 1 1 1 251795 383651 20723 1 234851 81094 167643 31169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Carmamycin A 307986 285327 864699 670110 560003 391970 120825 232327 676240 300370 521136 1029992 2113383 207706 623717 787246 551418 364788 345896 318027 768068 918070 779919 857906 692249 211223 280850 611652 186726 312005 547333 443046 669304 514114 543510 574690 Carmamycin B 39547 189362 162215 35723 174546 34328 111293 77947 133977 72521 101841 162754 93056 94846 61848 119201 83991 114086 69385 85000 139172 125391 152829 92185 118436 162043 47585 91477 87133 90686 38603 1 144283 118224 101556 84070 Carphenazine 27619 112525 1 1 1 1 32038 16537 25833 1 1 30065 10719 18379 1 1 48447 1 168125 35083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cartilagineal 361697 259806 798600 743283 351532 501659 511785 381930 475818 564777 585116 319026 683487 989483 290774 644780 387028 464292 142043 383241 451788 232906 85776 1061508 197166 404529 844410 163863 1231842 378853 319002 389573 458453 480209 1386931 377157 Cartormin 203764 1 370000 265843 241831 273776 318946 69051 13175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294523 194294 3500 1 1 1 Carvedilol 2089112 1 2118365 857717 2050485 1269600 1316197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1787735 1595856 1 1 1 1 Cascarillin 42082 4986 37320 57782 55562 44383 37991 7382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Casimiroin 532889 966451 317348 898870 676022 1405415 1753302 1219476 914598 1222048 516597 435589 1190866 945726 999186 391886 969046 512277 874397 1485937 338414 1726636 394629 1003501 1195915 439549 587190 479827 313237 680274 225632 817003 556734 827105 1347548 684347 Caspofungin 4801237 3367275 3839171 3966999 5226491 4452443 4293039 4103450 3979212 1952623 3201403 2738232 3357101 4088974 3512128 3753023 3510991 2670233 2624752 4506979 3809547 4047407 3099342 3481351 3305231 3920448 1707238 3344463 3907447 2478550 4355309 4536245 3693954 3175833 3552600 3352695 Cassiaside B2 1 1 1 1 1 1 1 1 1 1 48223 1 1 31743 1 16286 60746 15366 1 11629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CAY10404 39402 32931 81445 50902 1 43759 54987 24965 25304 54680 1 1 1 1 1 1 1 1 1 1 36813 19384 86075 26733 30510 22448 62734 11811 28435 17047 1 1 1 1 1 1 CAY10441 122314 1 415864 112908 1 259805 222569 78590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CAY10448 4411 1 1 36912 6541 1 1 1 9024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CAY10470 1 1 1 1 1 1 1 1 1 1 622841 505848 584594 555021 639232 418173 561056 532279 529297 400922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CAY10470 Esi-18.841997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105337 29459 59152 89736 71665 79419 CAY10500 1 1 1 1 1 1 1 1 1 1 1 1 136218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CAY10575 103541 150650 151902 122191 152963 124715 141964 143898 138931 117276 1 1 1 1 1 1 1 1 1 1 149554 157986 142582 142376 155533 159902 149860 152101 171060 142971 138029 128711 141433 158846 161838 171006 CAY10598 Esi-17.291996 55301 1 55216 28819 1 1 41191 66124 1 1 126670 235559 84022 128207 148538 119558 220284 277296 184849 147150 1 1 1 1 1 1 1 1 1 1 53809 64634 203174 152752 223903 188046 CAY10598 Esi-17.807 1 1 1 1 1 1 1 1 1 1 357121 152376 433583 3180 1 1 17271 6100 80071 65956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CAY10598 1 88258 86973 1 22828 41190 39396 51777 68835 208889 1 1 1 1 1 1 1 1 1 1 143130 194418 475638 183271 184613 148932 96644 137181 159567 120223 1 1 1 1 1 1 CAY10608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17554 35630 1 37392 37387 31310 35872 27420 37860 27500 1 1 1 1 1 1 CAY10608 Esi-1.5159999 1 1 1 1 1 1 1 1 1 1 66284 13385 5616 7570 6055 1 40926 3067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CAY10633 217438 146421 16773 100164 113464 256070 90325 198342 94081 108914 160582 89087 15705 194412 136317 180979 148372 157422 153482 202840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CB3717 1 32618 1 81841 1 104268 68447 68522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CDP-DG(18:0/22:3(10Z,13Z,16Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423722 302500 293100 280376 229726 294914 Ceanothine E 100188 322047 182234 53869 209663 194304 229811 302866 298665 259413 332429 618629 373249 49748 519278 8249 491028 615976 690733 611013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cedrol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17182 1 1 1 1 1 1 1 1 Ceftriaxone 1 264860 292555 138600 1 195751 82625 83449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cephalexin Esi-6.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64094 1 50755 75950 52176 7194 47589 73793 51877 1 1 1 1 1 1 Cephalexin 84058 58797 162914 1 37146 1 45146 28034 96880 118197 54083 31379 86607 38132 1 50199 67339 74473 37389 25580 1 1 1 1 1 1 1 1 1 1 61171 59308 51376 58832 61107 40673 Cer(d15:1/24:0) Esi-23.756 1 1 128670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cer(d15:1/24:0) 1 1 1 1 1 1 1 1 1 1 74328 115575 110360 96840 94504 100741 61853 106662 70776 123449 139311 102450 123803 30499 105498 93588 86936 123518 1 82325 16485 52305 91599 33593 141812 237119 Cer(d16:2(4E,6E)/18:0) 60470 65438 1 18495 72409 37385 39439 10276 43913 54324 104459 1 99905 61080 25371 1 21082 14936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cer(d16:2(4E,6E)/20:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175359 135375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129741 125200 1 Cer(d16:2(4E,6E)/20:1(11Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21179 43010 70953 72276 65101 72036 Cer(d18:0/16:0(2OH)) 88653 79737 78474 50820 179473 45938 146112 45312 99697 73728 117170 61047 105196 72269 33689 143184 124279 71150 76055 177185 1 1 1 1 1 1 1 1 1 1 108058 107248 120309 100127 127613 139784 Cer(d18:0/16:0) 1 1 1 1 1 1 1 1 1 1 25063 103293 105608 1 90083 1 208591 191203 38062 1 59154 218904 179928 184075 1 1 1 1 72730 114019 1 162125 135274 66316 54508 127240 Cer(d18:1/24:1(15Z)) Esi-23.768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69016 173736 60951 242304 168569 Cer(t20:0/20:0) 164677 352135 245498 47009 132111 147237 359759 235863 300558 238141 297633 315789 394577 260322 304690 339306 230185 514655 273557 298972 945430 491374 499377 117075 287260 279268 367415 542240 183848 334149 1 168714 188814 165354 524163 517484 Ceranib-2 936680 216151 1256311 1101969 1266561 1254763 1145764 1175196 511797 269032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1235383 1176925 183958 102832 102032 89449 Ceranib-2 Esi-16.965996 168297 118962 214884 108357 82728 233254 129842 203906 110904 64996 134746 123399 87259 112441 70633 44979 95344 140872 90213 70905 110451 89122 306286 146779 107890 82572 77986 80097 79346 82830 67396 164772 123615 129378 140540 126995 Cerberin 1376111 1270705 1302796 1310317 1 890758 1240495 1434751 1357819 729269 973197 1244221 1290082 1226234 1038521 112435 1 1 1110369 1122445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cerberin Esi-11.905999 119460 112234 80828 105743 141311 120301 159099 123194 117985 75722 1 1 1 1 1 1 1 1 1 1 78500 39309 142292 141375 113980 54396 82186 55175 43915 68445 1 1 1 1 1 1 CGP72383 429292 237747 408773 321276 325721 132090 242650 342949 359672 155188 245030 168559 244567 250580 191600 376230 191051 205917 270900 235728 345167 215176 330993 280642 263068 328729 215865 149545 184501 169287 260580 227770 364849 236138 287037 258747 Chalcomycin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9491 16058 18326 117590 7556 41585 32837 30199 38647 27985 1 1 1 1 1 1 Chatenaytrienin 2 Esi-23.705 1 1 1 1 1 1 1 1 1 1 259240 247918 247887 176430 214388 264311 223503 181410 353643 96999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Chatenaytrienin 2 250561 80511 241616 262145 354911 282040 208099 128426 113450 144015 399586 161756 241090 210600 230035 169936 383781 293690 244815 217516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Chivosazole D 50877 40399 55791 29088 32107 31503 29048 39500 34916 45814 36818 30952 58586 33278 23077 40987 24852 40021 26912 31937 29952 35460 94715 40723 28936 29741 24608 27353 28358 22627 37546 37871 36758 39908 35927 39330 Chivosazole F 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 857534 791261 751152 983816 769069 870348 703406 710188 775416 683317 1 1 1 1 1 1 Chloraniformethan 1 1 1 1 1 1 1 1 1 1 15211 55469 49937 1 60065 65599 31079 68904 71640 42162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Chlorhexidine 1 1 1 1 1 1 1 1 1 1 31833 35197 36278 62743 51992 47662 33070 40532 38125 38554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Chloromarmin 1 1 1 1 1 1 1 1 1 1 42342 36986 38776 43800 17066 17698 57265 47179 22916 16920 45869 1 89015 36575 27791 13647 61861 83422 65302 1 22253 17400 50625 41613 55169 41585 Chloroneb 1 1 1 1 1 1 1 1 1 1 85351 82294 82687 91251 1 35498 64739 101328 96473 110570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Chlorophacinone 101405 244414 265610 59155 102487 171730 117959 174628 323037 185592 182904 118428 282965 119633 224247 180110 209268 231639 121337 102089 1 189637 35727 159754 246184 188725 33936 155051 251438 221576 181776 177596 184426 183565 180784 188790 cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside 356567 195436 302364 179140 351586 214927 318718 151935 157258 56973 1 1 1 1 1 1 1 1 1 1 278167 98240 130899 150753 223419 234813 173029 114585 212429 210717 295369 301168 266947 255545 239076 255902 cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside Esi-20.863995 391095 129478 302364 209249 354146 217918 324083 92869 204816 57263 156237 322722 216013 313709 254725 313536 181517 129308 238513 310049 281302 50296 135686 150957 224709 236700 172762 115268 213127 270882 1 1 1 1 1 1 Cholestane-3,7,12,25-tetrol-3-glucuronide 264695 371408 832588 583847 1020778 418770 559763 484610 537793 203043 377643 287220 297539 343943 220676 494251 220358 120118 183024 248262 271526 295126 198280 314995 238198 464369 182028 130118 274888 150003 635862 556036 280555 306259 264185 222506 cholesterol sulfate Esi-23.72 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066118 990353 572819 401714 890623 1026911 1025802 1059330 479965 722460 1 1 1 1 1 1 cholesterol sulfate 2191 1217906 11083 1963 607192 441152 449303 1093593 1209528 1160136 465494 1013784 1707020 1075214 959059 1183435 1137685 1010622 1002899 470289 522836 990353 572819 401714 890623 1026911 1025802 1059330 478920 722460 1 115124 1405920 635401 20472 197763 Cholic acid glucuronide Esi-14.197 1 1 1 1 1 2012780 2622325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cholic acid glucuronide Esi-14.196339 4156805 3291701 3636099 2739654 1060660 2665088 2739903 2446213 3734973 2662562 3239640 3728340 3297572 2654066 1921655 2580731 2303290 3023953 3053056 2618302 2888617 2972740 2723936 2845756 2602810 2012216 2338904 2979993 2758353 2059525 2490120 3251612 2893445 2906562 2842615 2881291 Cholic acid glucuronide 3610694 3121797 3569822 2738595 1066860 63301 2753148 2979274 3226284 2427761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cholic acid glucuronide Esi-13.988553 622909 615184 589428 356541 409732 342181 442833 629758 820985 471612 858344 822226 698073 484987 788883 621016 437563 583485 734786 647279 660217 719955 621318 514683 523914 589974 780546 839720 529731 343466 523923 633069 627853 735725 618505 711635 Chrysosplenol F 1 50431 1 1 1827 1 1474 11947 11807 3945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ciglitazone 83222 87164 65661 78476 79169 85105 114988 56795 87326 76233 116449 92394 87576 71886 81330 99673 106774 117553 58433 114899 96985 107242 39543 57548 89641 95238 68711 107084 92124 60289 90449 86141 91392 90291 100225 99102 Cimetidine 45333 10316 1 8909 19545 51000 39647 1 16467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30985 14085 17093 1 50604 1 Cinegalline 1 12171 16891 1 1 24464 1 26259 25236 76059 1 1 44437 1 70573 1 21437 96587 19369 1 16183 1 47351 32313 35323 1 17439 35300 36075 1 1 1 1 1 1 1 Cinnamic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440370 32531 1 110670 37998 1 325965 128456 1 1 1 1 1 1 1 1 Cinnavalininate 1 1 1 1 1 1 1 1 1 1 1 15306 74887 43997 49050 1 1 45025 28185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cinnzeylanol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29204 1 134133 53080 34353 1 33904 1 34911 1 1 1 1 1 1 1 Ciprofibrate 135215 1 218707 1 301477 27373 13437 123448 1 87531 1 1 1 1 1 1 1 1 1 1 248947 128674 302304 216765 230216 1 164923 91925 110816 142735 1 1 1 1 1 1 cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenyl 1 1 1 1 1 1 1 1 1 1 1 14932 5914 9680 1 1 28497 12194 60300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 cis-4-Hydroxyequol Esi-5.9713416 236527 129362 442729 216533 111019 227204 255048 103984 110473 321649 158894 117561 69254 90977 115553 148894 134847 134311 133084 125686 174457 106101 517676 132904 158481 119104 314857 61622 143043 1 168141 178699 180431 143492 184066 182915 cis-4-Hydroxyequol 567604 509786 499592 376927 247192 409183 333435 510004 550158 278596 346361 281841 356488 435043 356796 207486 384764 392589 474488 446294 250768 501555 546620 262390 543339 554847 323886 261423 506808 293474 419791 433782 448697 451720 426440 459976 Citalopram aldehyde 22558 21817 18068 22186 18602 14053 29164 21010 15809 20133 1 1 1 1 1 1 1 1 1 1 32717 34634 12957 22710 30381 28269 27948 29540 26648 22673 1 1 1 1 1 1 Citalopram-N-Oxide 83932 58877 31571 55032 102336 17671 55358 8858 69620 26199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Citbismine D 1 164404 217957 121951 178034 79020 126396 69454 170293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Citiolone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43574 8581 29194 22232 25951 25359 17823 17365 52037 20444 1 1 1 1 1 1 Citreovirenone 1 1 1 1 1 1 1 1 1 1 3328 45129 20179 36740 13562 1 82698 23584 102206 32684 1 1 1 1 1 1 1 1 1 1 49303 70182 53855 58333 67618 51801 CL(1'-[15:0/15:0],3'-[15:0/16:1(9Z)])[rac] 1 1 1 1 1 1 1 1 376009 180966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z)) 1 1 1 1 1 1 1 1 1 1 64477 58212 85357 62935 61195 81508 45146 42302 19706 39721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) Esi-14.614999 1 1 1 1 1 1 1 1 1 1 83077 1 43132 101581 1 120279 55899 37520 42746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113699 88860 82412 80931 82285 81836 Clo?sone butyrate 79959 77196 123868 1 100165 1 98553 94025 62443 88453 99638 82542 1 1 1 1 1 128535 1 1 1 166131 194126 188624 1 77236 1 1 1 172393 1 1 1 1 1 1 Clofarabine 1 1 1 1 1 1 1 1 1 1 37025 185158 60236 1 38561 40038 59191 57784 12033 55267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Clomipramine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303699 311522 288663 306287 306520 225311 Clovamide 91577 318362 28602 1 97218 1 97177 170569 168527 21036 1 1 1 1 1 1 1 1 1 1 93779 78891 13462 107388 219303 216274 1 30782 137178 22226 1 1 1 1 1 1 Coelichelin Esi-13.951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150090 253937 1 1 1 196242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Coelichelin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278346 388798 1 1 258816 269429 1 1 1 1 1 1 1 1 1 Coenzyme F430 1 60167 118289 155775 153246 169295 128963 40643 1 131756 1 77767 121331 93208 1 1 97453 58172 1 99452 1 1 1 1 1 1 1 1 1 1 74791 127726 52437 65243 76373 83053 Cohibin B 191955 746448 409955 406169 195514 174204 131244 423427 550822 507578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cohibin B Esi-20.35612 276145 181491 519866 66324 810983 514433 555008 646933 263371 374925 678907 496805 724194 483806 396633 316162 203585 664664 556745 355051 215030 533424 51592 29354 231494 487339 429338 353982 497546 14009 91818 742717 626009 156157 16522 445931 Cohibin B Esi-20.1962 1 78516 124769 133336 1 1 1 1 27525 229569 678907 77369 86108 492634 396633 116620 277345 264789 19920 101204 729542 207229 84421 8230 130425 290369 191985 59139 326930 446244 1 1 1 1 1 1 Congmunoside X Esi-14.336399 1 1 1 1 1 1 1 1 1 1 206845 187870 1 224563 206310 101924 153585 253781 262896 111135 187663 53234 199562 196802 192390 85058 210421 180308 218768 218663 235188 229946 230407 124412 200466 212414 Congmunoside X 268877 115241 129287 279977 120580 214442 179524 242591 95712 219335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Convicine 143458 309953 33604 67755 161585 355074 17608 352001 262053 377147 98150 101848 479469 220900 79639 133906 347369 83583 91880 293102 101947 486850 196015 339555 156866 77488 32129 100818 81362 39446 78719 198737 152087 114319 35058 203593 Coproporphyrinogen I 202010 106869 227882 120895 8387 221383 99598 151433 49851 86605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Corchoionoside B 212698 193455 232697 186609 136735 177690 179402 183901 194380 171744 179271 111801 211122 184050 241735 169839 170262 161109 159902 138423 119519 177640 239160 208811 184291 156530 172969 116813 132716 125757 193847 191169 195149 179762 190612 192155 Corchorosol A 173051 89419 1 54614 137845 1 73777 73147 85709 1 166696 123341 111787 58939 61088 37867 108935 75000 161009 144126 109376 101912 1 222102 127954 210964 18666 81062 35333 1 170765 148936 46920 103731 92020 191266 Cortisol 85809 42806 186119 106970 227301 101903 46312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 cortisol 21-sulfate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17356 1 1 1 1 11652 1 1 1 1 1 1 Cortisone 1 410011 93792 1292124 2280558 278713 1045056 47097 649693 112343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1176155 1200585 1198388 1404136 920671 1116408 Corynoline 1 1 1 1 1 1 1 1 1 1 1 1 214362 1 1 163634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161194 88181 1 1 322425 302402 CP 80633 1 50810 46006 1 54957 22196 1 1 40353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CPA(18:0) 1 1 1 1 1 1 1 1 1 1 102237 126560 184237 80316 92607 119064 102079 203602 78686 120734 172385 196105 256727 106619 83903 108400 67573 148820 81615 38458 23033 79714 114919 124666 142075 150582 Crimidine 577975 385197 726618 785658 308319 531681 634445 370984 266712 728506 417932 416581 324192 316705 415545 420664 455362 539068 428545 440829 482333 280627 266895 446543 310474 398771 487520 463017 370732 675320 552325 544746 563247 541549 571373 588335 Crimidine Esi-5.6406093 404220 244895 579883 403320 268387 478856 464497 258555 218980 540777 348615 251933 227300 263203 272663 293181 314932 367650 246108 278812 346427 175547 924165 261754 340644 253052 402938 261029 303264 157292 367786 338867 391367 386924 390480 206132 CUDA 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67913 62706 86752 75165 81091 83725 Cuneatin Methyl Ether 124697 117101 104015 79057 58147 87728 66996 105420 120517 48017 76284 29295 69958 101743 62622 52653 68305 84171 95883 65164 56292 93004 94560 55218 116504 107123 66662 61268 90198 68101 65752 107992 68599 103341 78495 88460 Curcumin diglucoside 482309 301050 1 363652 102098 584798 714800 56703 583747 288249 83539 172988 127840 57359 136471 45604 211457 50961 38485 242649 328155 404618 202547 179911 371604 216797 375136 318655 401772 422467 180455 250834 91208 329161 54484 44146 Curcumin diglucoside Esi-15.101372 1 203751 208379 1 129877 1 146912 1 77696 1 1 190069 226681 152356 129107 90827 158217 36750 68371 150266 182338 36020 160387 103327 194072 134026 165037 160337 117163 52930 1 1 1 1 1 1 Cyanophos 1 1 1 1 1 1 1 1 1 1 1 1 35251 25233 16946 1 1 1 1 21245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cybutryne Esi-9.505 75429 31167 1 37120 31598 65603 13979 1 13779 90585 1 1 1 1 1 1 1 1 1 1 30287 15380 54653 1 20585 29604 10343 1 27643 3245 1 1 1 1 1 1 Cybutryne 69002 58548 1 1 1 92475 49786 62055 94212 60082 57533 147018 67443 77676 71249 1 92822 125258 60442 97263 44792 118193 33807 70411 109144 119883 58068 99970 125622 87137 40975 88858 66573 45777 105711 112427 Cybutryne Esi-11.947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45857 118749 48542 41227 117737 125922 53860 91643 114672 44718 1 1 1 1 1 1 Cyclo-Ala-Pro diketopiperazine 601381 371162 715757 566184 579310 663053 625697 251481 363187 801234 473904 354927 633730 344547 379065 359276 409492 473893 426334 564324 414076 176353 2410213 308547 339203 422968 377785 124098 112237 478729 537349 458991 467032 539905 531737 560028 Cyclobuxine D Esi-19.101 44290 78429 257872 116439 247164 139574 136865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cyclobuxine D 1 1 1 1 1 1 1 1 1 1 1 55319 66383 26187 49603 19107 24601 88965 39426 31165 1 100738 24850 59292 79130 67837 36402 107805 61389 31121 1 1 1 1 1 1 Cyclocalopin D Esi-9.411 1 102032 1 1 1 1 1 11298 27017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cyclocalopin D 155918 19724 181097 118402 170846 134865 108970 60375 37516 20629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103100 92633 17268 18059 20160 1 Cycloheximide Esi-14.100669 221876 167744 154587 336923 49153 80326 47764 262416 131390 336528 305227 881499 355189 473899 293173 336846 519220 617951 460206 569929 257890 743648 822689 411520 665456 527395 396053 554180 232053 469348 499491 430950 615820 643131 272172 600886 Cycloheximide 559253 455367 99945 336923 219861 520204 33312 338858 131390 336528 305227 881499 358684 478185 293173 336846 520756 620578 460789 571632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cyclopassifloside II 1040445 445765 1829978 370717 433899 545250 732478 458006 374531 84677 669006 98910 517417 250465 351416 101348 76001 49692 240482 151151 552813 247413 404181 198303 109018 289395 167205 54359 282015 119673 715650 562152 410049 343387 217516 362625 Cyclosporin A 198124 76764 172641 111744 164554 93528 132893 79560 87062 58684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cyclothiazide 35794 1 69642 36530 19829 38546 33921 17353 22535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cyenopyrafen 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77785 176180 64036 114676 1 1 89686 91949 80929 70382 1 1 1 1 1 1 Cyflufenamid 58189 150176 81542 96277 146403 34418 191976 44343 35668 171947 339983 64305 115829 10015 93955 44289 82097 72434 88951 20327 114349 132128 89753 28869 1 26345 33315 145036 83361 13236 202454 23707 72071 80235 101517 146112 Cyflufenamid Esi-3.2620006 30865 150176 76080 203034 10901 34410 191976 44343 36865 6720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cyflumetofen 72038 1 65127 57608 74288 118926 92245 43687 23835 11830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104249 77108 1 1 1 6329 Cynarasaponin F Esi-9.563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41298 44889 45585 38990 23748 37275 Cynarasaponin F 175863 1 1 173658 48277 222582 109438 8412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cynometrine 36134 50533 127564 34377 17760 49384 37157 31123 7344 76304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cys Arg Phe 48363 60580 33700 69161 23437 47180 1 51908 43989 50845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cys Asn Thr 78334 194138 1 1 121484 1 57354 98425 165021 1 62648 103357 114580 87166 78906 141299 32710 96707 84755 123953 44668 120824 66639 46822 50855 98181 16543 66361 37164 15517 46035 89774 61358 89568 95660 93679 Cys Asn Thr Esi-0.79099995 1 1 1 1 1 1 1 1 1 1 62163 98110 114580 86387 1 133074 47546 100319 96778 162525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cys Cys Thr 31221 67800 58918 19620 1 1 32453 68105 80370 1 1 1 1 1 1 1 1 1 1 1 1 31162 1 52559 53244 43833 19751 28067 31380 14674 1 1 1 1 1 1 Cys Lys Glu 1142801 858248 2069376 896935 1383980 1224975 257060 861310 416523 535913 1249111 1412863 806777 779838 632102 455103 742645 1143789 1021028 625686 1 1 1 1 1 1 1 1 1 1 1324542 1317424 1068892 948404 904867 1032857 Cys Lys Glu Esi-17.469164 878285 466791 886425 946935 982221 1792016 302699 729309 165505 287194 359146 646283 363509 447666 399120 152281 515874 801827 282241 474758 531163 565952 1397205 627462 559017 533120 413048 686978 483197 505778 976260 809725 620270 600655 706808 619300 Cys Tyr Phe 43928 1 109275 57126 128871 74828 67981 1 5521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78839 72853 1 1 1 1 Cysteine-S-sulfate 284002 340214 85944 199980 568411 133035 116386 119627 402455 24195 603455 145096 111120 445669 243639 394643 31806 32060 21818 401662 138998 429895 191687 422809 489088 347753 60165 430161 275234 295415 300600 607853 362910 155076 409619 141744 Cytochalasin Npho Esi-13.328263 33825 42922 123836 311658 255569 36783 74039 66491 291810 363174 1 1 1 1 1 1 1 1 1 1 41891 580602 69579 62005 49221 53578 57184 36554 52568 1 1 1 1 1 1 1 Cytochalasin Npho 459336 563085 48136 238079 340554 589454 243156 446368 284778 405454 512705 309913 70571 470122 319586 688411 25062 452151 52854 491641 515982 688400 299056 569095 237137 304534 492892 437200 460090 424751 86342 104565 387626 525491 627171 608406 Cytochalasin Npho Esi-13.509003 459336 563085 32057 238079 340554 589454 243156 448180 285076 402058 720205 295403 278125 475622 470206 90876 22653 437226 390355 100349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Cytochalasin Npho Esi-13.2610855 33409 89396 156446 400194 74512 66683 124022 78414 22986 23466 21267 82103 281123 39746 492448 76156 22732 457596 58287 85485 39935 53921 87824 62005 226611 88164 57184 55927 52630 336502 110351 137493 91477 84007 76297 80901 Cytochalasin Npho Esi-13.511332 35365 712313 166380 295796 423923 739443 304887 601936 43471 464977 512705 312693 70571 470438 311540 690693 27288 538819 428342 550084 515982 638025 303150 583166 237137 294954 493097 436991 459521 423301 457778 370922 388024 540952 615654 610122 Cytochalasin Npho Esi-16.313536 306499 145708 358412 186584 449436 354644 350660 253833 252973 128697 273022 147390 264692 159815 155037 220186 134909 110162 137896 154429 1 1 1 1 1 1 1 1 1 1 150751 171992 209814 189970 195857 180498 Cytochalasin Npho Esi-16.317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150751 171992 206519 189970 195857 186136 Cytosine Esi-21.03491 1 156887 1 10046 1 11605 1 68474 60658 1 1 1 1 1 1 1 1 1 1 1 1 87288 1 34620 21833 12594 9924 1 6214 1 1 1 1 1 1 1 Cytosine 331576 332498 448979 159344 279390 230603 263537 182812 302451 314963 539850 331545 583641 411764 290180 383711 340350 314682 317802 431491 742619 442072 867480 378940 361568 364926 410380 406308 404262 335024 191929 314613 443887 499249 532755 560795 D(-)-?-hydroxy butyric acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156808 122139 1 1 D-2-Aminobutyric acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082333 1218515 104841 772755 285520 81156 101412 359458 1045552 574547 1 1 1 1 1 1 Dabigatran etexilate 1 1 1 1 1 1 1 1 1 1 105136 82961 73006 103852 132882 102644 173876 73070 107389 106582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Dacthal 79449 90619 29507 1 123690 1 1 72037 140118 1 46533 48203 103046 100168 131543 107412 52329 137824 135424 67302 10055 46069 102503 63119 59680 119087 18106 36565 21917 25389 1 1 1 1 1 1 Dalfopristin 200789 7978 271387 127524 247171 240646 157239 57237 24964 16725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DAT(19:0/23:0(2Me[S],3OH[S],4Me[S],6Me[S])) 1031103 1 1908843 1143944 2446709 1931595 1516718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Daucic acid 148346 350968 274957 263800 262295 289206 275279 366685 344698 53233 1 1 1 1 1 1 1 1 1 1 165035 205278 366346 371789 41533 214209 215776 305448 252378 135070 173050 277739 376281 109795 412700 384998 Daucic acid Esi-0.783 82524 135139 1 1 118816 13314 54358 82344 130893 96577 1 1 1 1 1 1 1 1 1 1 7659 1 101295 1 1 1 1 51552 1 66275 1 1 1 1 1 1 Daucic acid Esi-0.78700006 75740 134645 50823 1 115540 13020 54226 82316 124864 103862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D-Camphorsulfonate Esi-8.187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13154 78858 17864 40602 78848 57856 13936 1 49560 54781 1 1 1 1 1 1 D-Camphorsulfonate Esi-8.185 1 1 1 1 1 1 1 1 1 1 11632 25439 1 1 1 1 49380 29384 91681 50247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D-Camphorsulfonate 13731 100560 11765 7818 32290 6317 21345 13458 32511 10107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DCI 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95835 1 1 1 1 1 31305 1 1 1 1 1 1 1 Deacetylcephalosporin C Esi-0.827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4203 25352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Deacetylcephalosporin C 27268 1 28201 22111 1 1 59330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Deacetyldiltiazem 259755 84615 74445 93252 188849 129894 157065 46653 78551 73808 55590 27531 38973 118004 116740 106877 83123 81627 45413 54534 1 1 1 1 1 1 1 1 1 1 97676 74694 62386 63217 54947 41829 Deacetyldiltiazem Esi-6.6946545 49688 86193 24426 39312 44291 1 53575 17975 45340 13095 27098 35792 31459 18947 3590 26235 75881 7221 150608 41018 20387 70405 1 9678 46723 36492 1 2277 1 26497 38758 39187 41293 40105 36095 44342 Debromohymenialdisine 71799 65466 61351 79981 51763 101932 62158 75851 76354 80045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Debromohymenialdisine Esi-8.199001 1 1 1 1 1 1 1 1 1 1 59929 85983 52830 52264 59231 52740 65451 69662 56327 63444 46323 73484 87226 59187 71615 79065 42301 56436 66001 46851 68546 61826 68338 68045 72319 73557 Decoside 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373746 288252 503735 414303 327172 387674 335252 300298 17360 134492 1 1 1 1 1 1 Delphinine 372901 1 257528 1 1 1 325847 192150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 657909 163379 1 188851 1 46638 delta-Carotene-1,2-epoxide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78648 91158 711618 717489 194173 269684 375752 86644 137499 123655 1 1 1 1 1 1 Demethyl-desacetyl-rifamycin S Esi-13.157564 174947 114667 48624 147708 137701 1 129034 109271 115303 128983 162728 106461 146891 96507 129526 153383 139053 108421 96434 69794 148894 99404 138048 115917 110553 130104 164719 101285 112700 99455 169469 74532 169055 140898 1 142322 Demethyl-desacetyl-rifamycin S Esi-13.981002 1 1 1 1 1 1 1 1 1 1 139369 248073 213125 88840 100657 126175 93013 259460 434925 82140 1 1 1 1 1 1 1 1 1 1 71449 219028 85839 221573 1 167476 Demethyl-desacetyl-rifamycin S 669889 470923 575380 572527 212080 536209 426022 503828 576933 596399 553481 499419 599604 472597 298575 386367 349147 564237 635464 396410 409590 353753 521410 542970 506750 272766 413057 458011 437991 368436 619003 567407 435077 484984 400254 445151 Demethylisoalangiside 72667 45276 137220 72151 108674 118435 109060 61679 64117 27204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100863 107783 30634 28894 33245 32385 Demeton-S-methylsulphon 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484775 189776 1 456996 294016 1 1 326177 319497 1 1 1 1 1 1 Deoxyadenosine monophosphate 1 15376 1 1 1 38091 1 13163 13495 1 59754 1 1 1 1 43520 15875 1 1 31476 145962 4504 1 1 12011 7938 10392 1 1 1 43957 53570 36349 33677 38541 85078 Deoxyadenosine monophosphate Esi-0.845 1 1 1 1 1 85850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Deoxycholic acid disulfate 1 36051 124837 134938 139991 151809 97879 68511 41180 32473 1 1 1 1 1 1 1 1 1 1 20211 31450 50653 35659 21350 1 23268 26549 23867 18542 124562 95502 34501 23997 30139 25433 Deoxynojirimycin Tetrabenzyl Ether Esi-9.348715 1 1 1 1 1 1 1 1 1 1 17984 35373 57012 1 1 1 1 104067 1 27549 1 1 50578 1 1 1 1 145353 1 1 1 1 1 1 1 1 Deoxynojirimycin Tetrabenzyl Ether 1 1 1 1 1 1 1 1 1 1 120026 347270 427149 57940 156085 215925 123959 75044 68307 64662 181513 182261 151615 252268 175113 32207 55581 119966 34586 85810 113743 111936 124372 216064 107911 214878 Deoxyuridine monophosphate (dUMP) 1 1 1 1 1 1 1 1 1 1 29796 57421 55352 67545 79240 54596 40724 38225 65395 54044 1 1 1 1 1 1 1 1 1 1 41631 27972 30984 70925 64592 83360 Dermorphin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88077 36130 1 1 1 1 Desacetylsufentanil Esi-7.7625303 68942 263757 16820 17054 17843 7205 60715 39553 48132 12644 1 38127 15012 10691 1 13646 116639 11973 192243 51390 13570 63497 8405 35815 91885 50533 26214 10295 38788 8013 53251 49925 60677 50441 50901 61724 Desacetylsufentanil 261173 5176 66031 36465 41596 24695 118411 2149 3664 27490 117459 1 1 1 1 26260 1 1 1 18541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Descladinosyl-6-O-methylerythromycin 1 1 1 1 1 1 1 1 1 1 122943 128044 203674 197071 300801 92945 433763 157116 87317 140457 138853 1 1 132948 1 1 180893 122796 89503 96463 1 1 232921 53640 108612 133461 Deserpidine 1 1 1 1 1 1 1 1 1 1 89349 43804 7630 1 1 93246 92599 110741 81933 125593 95351 118698 42869 67397 61508 30430 1 84017 99254 60683 1 22177 1 45223 67093 44912 Desmethyl rosuvastatin 259622 52142 249594 163625 159665 196154 206878 257464 154211 75897 72564 33433 44426 23618 18834 13326 23750 36395 23557 4454 1 1 1 1 1 1 1 1 1 1 189506 317745 45842 31080 39362 26785 Desmethyldescarbamoylnovobiocin Esi-13.859 1 1 925049 752123 1 1 1 1 543379 382033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Desmethyldescarbamoylnovobiocin 933560 624204 947295 740927 689198 376886 619448 451153 547525 715999 756882 584704 536751 585524 532372 957227 634766 631469 691725 653688 1 443818 910549 715530 713213 631887 554347 448505 1 297038 941450 564964 695850 735894 537561 648736 Desmethylnimodipine 1 135909 155514 24919 212973 20652 1 43723 78435 30483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Desmethylpantoprazole sulfate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85771 65194 131574 54334 62150 61281 80449 74053 33991 79115 1 1 1 1 1 1 DETA NONOate 1 1 1 1 1 1 1 1 1 1 68375 35398 37379 54970 58680 65406 35116 15203 20433 46553 1 1 1 1 1 1 1 1 1 1 45481 1 42514 40822 1 45608 Dexamethasone phosphate 967040 51070 905360 908249 892503 926456 633326 284776 104987 23895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960324 490552 48027 1 24583 22239 Dexamethasone phosphate Esi-18.227526 567838 71793 805367 340375 674504 595139 508572 143247 155404 113485 1 1 1 1 1 1 1 1 1 1 82380 1 92721 84061 74719 85529 71702 1 1 1 547598 444605 66793 59952 79744 1 D-Fructosazine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20364 52280 61914 16377 49810 48936 33245 43752 59608 29614 1 1 1 1 1 1 DG(13:0/16:1(9Z)/0:0)[iso2] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43269 1 1 1 1 1 1 7825 1 1 1 1 1 1 1 DG(14:0/17:0/0:0)[iso2] Esi-21.095 29316 115333 19190 9535 54352 45283 28961 23605 65213 23753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DG(14:0/17:0/0:0)[iso2] 29316 178629 19190 9726 54637 44977 28961 51950 105029 23753 60877 101637 50851 42475 34133 79617 68502 51332 55004 92192 54631 171707 16658 56731 67667 34462 32893 42116 53645 19059 1 1 1 1 1 1 DG(15:1(9Z)/16:0/0:0)[iso2] 1 65533 1 1 1 1 1 19393 36759 1 1 1 1 1 1 1 1 1 1 1 23650 69329 1 23080 1692 1 1 1 5780 1 1 1 1 1 1 1 DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] 6265 254929 4274 1 59150 1 1 70403 157005 5226 1 1 1 1 1 1 1 1 1 1 12289 253023 1 13011 47852 67253 5768 13444 31427 12001 1 1 1 1 1 1 DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi-21.037998 1 1 1 1 1 1 1 1 1 1 4023 50113 17830 103056 92167 35411 11256 81913 8682 10247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi-21.205997 6265 192194 4274 43289 58811 41446 1 33367 106851 5423 1 1 1 1 1 1 1 1 1 1 12289 224289 1 15935 47677 22577 6308 8831 36675 22533 1 1 1 1 1 1 DG(15:1(9Z)/18:0/0:0)[iso2] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DG(15:1(9Z)/18:1(9Z)/0:0)[iso2] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 846303 773576 115282 17213 702938 99811 214905 331211 230354 114559 533879 74361 77127 764831 784588 788625 DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi-12.076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131597 24647 21443 99915 108027 16509 84468 113072 58978 1 1 1 1 1 1 DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28289 779973 1 40810 1069919 640136 18196 10400 102397 1 1 1 1 1 1 1 DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-21.1286 1 72530 1 1 1 1 1 13330 41721 1 1 1 1 1 1 1 1 1 1 1 1 98371 1 1 1 1 1 1 3205 1 1 1 1 1 1 1 DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] 1 154164 1 1 1 41382 1 34157 93962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-20.384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105142 163448 108078 90590 1 1 DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-20.66 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6780 165732 1 1 1 22968 1 16067 1 46817 1 1 1 1 1 1 DG(15:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] Esi-17.803 17417 1 1 1 8888 17501 15234 43422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DG(15:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] 311567 368055 830240 200890 214696 224044 373830 271206 217010 97299 329046 204822 284198 316503 492271 264039 139185 95218 291267 264443 291288 212408 177590 171220 214903 256292 151811 90942 255186 205291 301972 281339 292681 262373 277958 278011 DG(17:2(9Z,12Z)/20:2(11Z,14Z)/0:0)[iso2] 1 1 1 1 1 1 1 1 1 1 222466 113644 165950 124520 176349 161358 170029 152887 163491 165651 216453 291337 236426 160278 183650 180044 186949 202755 161881 114038 1 1 1 1 1 1 DG(19:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] 161606 166883 210234 139355 115913 176444 161607 130710 78775 44620 113970 53129 107050 60464 59169 63833 97146 78527 76294 93950 155501 213478 142822 78025 111057 116993 119604 127275 74896 58623 1 1 1 1 1 1 DG(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] 684216 1 287024 559071 1059703 902723 885166 454438 383656 250506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DG(24:1(15Z)/20:3(8Z,11Z,14Z)/0:0) 1 1 1 1 1 1 1 1 1 1 344418 487413 454904 390338 476102 370443 239345 443349 300277 291269 934565 433971 530237 130948 272207 276594 320357 514792 159007 364829 136775 416900 299555 206323 557424 399200 D-Glucosyldihydrosphingosine Esi-16.525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599169 515979 313991 344242 408757 377768 D-Glucosyldihydrosphingosine Esi-16.563997 729432 376991 752375 438229 681662 541775 563484 356022 445837 362163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Diacetylfusarochromanone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20036 1 192243 1 1 1 41638 76179 6756 14502 1 1 1 1 1 1 Diamidafos 497303 338853 614556 654258 297357 459077 452694 326222 253359 612913 378709 352325 276617 262602 361597 332652 393327 472156 340780 344778 421747 234289 346152 396118 196176 339513 418142 398774 336325 572633 480189 462806 496559 472537 474224 480225 Diamidafos Esi-5.6443315 412191 262126 520185 387795 308903 461146 294740 240556 226783 508582 396655 282749 232821 213036 255086 289620 332670 336382 210874 279283 339931 214265 814289 313055 322489 222441 378854 259983 284162 152973 353666 344738 354045 364296 358681 360698 Diazoxide 1 1 1 1 1 1 1 1 1 1 62097 561297 12040 484659 194399 469899 1 32500 466225 253677 1 1 1 1 1 1 1 1 1 1 197190 384940 413201 129368 151083 303618 Dibenz[c,h]acridine 137553 235855 41479 94911 97565 136535 1 121020 1 65824 164256 484517 219501 253939 142170 191404 329885 342396 279564 301763 67131 258286 467215 230801 390437 260040 122054 55739 107009 230574 123160 77780 343528 327139 173574 315335 Dibenz[c,h]acridine Esi-14.184999 67957 62701 53169 1 16379 78935 33748 85885 84592 49802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Dibenzothiophene 1 17121 110608 116304 1 137197 70047 34130 1 165424 1 1 1 1 1 1 1 1 1 1 72750 17499 259215 74941 11265 1 90121 4934 38608 35187 1 1 1 1 1 1 Dibenzothiophene Esi-2.2409997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306809 927952 582486 572418 892597 845659 453067 440158 791729 592238 1 1 1 1 1 1 Dicamba 390994 747433 6832 197459 449594 141047 238924 872000 781405 291467 981437 441950 147007 875402 22396 157654 661570 26931 256181 241054 1 672431 2323 844168 243360 418467 77678 612075 385910 339812 1 1 1 1 1 1 Dichlozoline 1 1 1 1 1 1 1 1 1 1 472862 280477 586919 217210 829307 402892 370790 457468 320357 266979 1 835511 52387 367339 673595 513563 80578 1000294 1620869 1362297 455204 418866 567159 457311 420820 415276 Dichotosinin 74708 172807 1 33722 64372 45685 39907 44376 77175 100033 180258 330826 254602 254089 240164 373000 317154 268518 314605 296853 236783 293566 197059 364633 231417 217691 260795 233562 254018 99912 62400 25586 205853 315209 280476 290709 Diclobutrazol 1 1 1 1 1 1 1 1 1 1 24491 1 1 1 1 5527 26173 1 1 1 115612 1 124077 1 1 10597 1 1 1 1 1 1 1 1 1 1 Dictyoquinazol B 743732 387736 1908642 2164798 1874225 2442051 2343276 1233144 335817 328972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2166990 1524770 720110 841347 760967 826497 Dictyoquinazol C 363712 274017 86725 233185 167336 217009 16859 280414 96058 243561 178512 461129 205517 276295 239509 171208 319005 343576 248236 295285 140901 383745 491304 227272 345427 342772 231021 287382 136835 261865 336272 277788 345691 342528 158401 317913 Didanosine 228625 135046 576357 1261573 397958 54779 1602913 636538 82097 1141118 1 1 1 1 1 1 1 1 1 1 233585 87308 1223671 389212 48724 32287 578873 388915 212304 78574 1 1 1 1 1 1 Dideoxymycobactin 736754 169813 756384 482402 375007 323430 308300 438914 228731 136159 1 1 1 1 1 1 1 1 1 1 1 151032 205125 232939 289500 198983 1 82769 138858 182005 1 1 1 1 1 1 Didodecyl thiobispropanoate 1 125038 1 1 1 1 1 71338 172084 214428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227370 271151 338290 339114 286264 Didodecyl thiobispropanoate Esi-19.048002 1 1 1 1 1 1 1 1 1 1 208211 531980 519800 240949 127619 569220 495355 450858 238197 272052 624068 402501 303958 795170 334805 557880 553485 415994 407892 177043 1 1 1 1 1 1 dIDP 1 1 1 9272 1 30989 1 1 21544 33038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36652 45643 1 41565 1 15285 DIDS Esi-19.112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385509 149030 1 5329 1 1 DIDS 361838 9143 278860 334633 359258 386736 224570 50677 7316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Diethyl L-malate 320177 142738 1302385 1152246 764769 1444680 1327446 638886 82097 1172775 808313 76817 662444 584901 215615 573545 470040 208298 53985 302235 827728 94979 1278511 163807 87683 60454 578873 197324 100513 141028 608849 465000 379994 417861 642027 463305 Diethyl succinate 1 45378 1 1 1 1 1 20002 17221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Diethylphosphate 109616 217352 890291 288946 152566 122343 301478 210474 1 282588 1 1 1 1 1 1 1 1 1 1 600712 191733 1121456 173327 259134 293486 168958 450943 298340 1002837 1 1 1 1 1 1 Difenacoum 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567884 95102 731529 682721 666920 640372 Diflunisal phenolic glucuronide Esi-18.394306 179110 94190 218439 196990 214473 264139 197250 119924 61417 81491 85810 111273 73729 93283 79306 59313 74047 99344 74467 78780 1 1 1 1 1 1 1 1 1 1 185383 167526 76853 79464 129887 90566 Diflunisal phenolic glucuronide 249282 149788 376773 313227 367318 396242 355811 152824 128697 86962 116560 135749 118875 83468 80281 93642 110498 131473 89945 91163 1 1 1 1 1 1 1 1 1 1 329068 161002 180820 106719 142117 145626 Diflunisal phenolic glucuronide Esi-12.493718 329411 356561 349035 323135 366669 366174 325685 297252 351734 396140 384314 282400 300060 243609 277146 351571 367845 218755 389626 251203 388354 269062 378834 393626 336319 143495 367439 263913 345174 373890 189517 326856 373423 371348 317276 360345 Dihomomethionine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68450 33384 201643 37420 42931 28374 57691 26799 37507 62587 1 1 1 1 1 1 Dihydro-2(3H)-thiophenone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81200 1 1 1 Dihydrocaffeic acid 3-O-glucuronide 23916 1 7955 36984 1 1 1 1 1 7639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Dihydrocaffeic acid 3-sulfate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53526 1 58053 44320 54175 7169 8870 32179 142888 1 1 1 1 1 1 Dihydrocodeine-6-glucuronide 56440 1 91309 104056 106540 1 74274 1 56949 98935 111097 73663 192169 109800 129515 107500 94704 101851 105918 79009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Dihydrocodeine-6-glucuronide Esi-12.849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127049 96658 128438 115329 106786 99145 Dihydrodeoxystreptomycin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Dihydroergocristine 2319695 3278179 609140 2530835 1490291 156953 2050251 1939329 2765765 1 1774435 3484024 1144830 1629083 1456801 1990831 1851195 2235377 1835897 1972903 1575629 2553626 1855171 1464384 1957138 2189885 2033678 1471060 1424780 935675 2799364 1482300 1862026 1970397 1625285 2009112 Dihydrojasmonic Acid, Methyl Ester Esi-10.78 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61467 31437 72660 38623 66366 58593 Dihydrojasmonic Acid, Methyl Ester 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74586 64441 87164 90621 76751 62250 Dihydrolevobunolol glucuronide 412820 262876 216226 310538 277313 209248 218495 310733 162564 299897 1 1 1 1 1 1 1 1 1 1 368268 268128 353404 214726 268656 241430 306733 288075 269607 265950 1 1 1 1 1 1 Dihydrorhodamine 123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3798 14124 108779 1 1 5054 1 1 1 1 1 1 1 1 1 1 Dihydroxyaltramine 318049 186118 426235 285999 306136 261349 241130 303807 274264 164042 232023 204769 254679 201873 200297 242447 149619 166045 190862 189079 210636 204499 263174 115082 180674 201911 202138 198692 214920 229953 222496 324389 235643 227542 233553 233809 Diisopentyl thiomalate 47440 181141 4248 1 1 1 21718 61948 59354 4313 1 54065 24938 33246 1 1 216896 43215 181277 52946 1 196434 4598 77566 126347 89499 35311 63211 96434 46763 75166 66144 63326 71329 68141 74066 Diisopropyl sulfate 523286 322959 835651 664726 368070 724187 620039 317786 174802 1313466 463150 213235 452089 320069 264202 468792 376713 355246 138752 410572 573354 87458 2457428 83384 114247 195023 245747 73707 99928 403401 604456 553430 610833 588980 524322 581222 Dikegulac 41703 40943 45199 37751 30607 41663 45665 40137 36434 1 43966 37988 41673 32703 36602 1 42994 38832 33522 35217 1 1 1 1 1 1 1 1 1 1 43951 39024 46067 44429 41001 37624 Dimefuron 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278693 451251 3751610 465303 1 1 811419 1139056 865641 758105 1 1 1 1 1 1 Dimethipin 115870 294954 441076 1 163834 154979 168988 183813 370054 153205 238008 124684 320076 116852 273444 206852 198212 214664 135537 121838 1 176469 162601 150203 326725 225174 22437 153366 304620 1033104 258163 208593 227347 246235 233221 153747 Dimethylenetriurea 1 1 1 1 1 1 1 1 1 1 66415 43654 77110 58459 51814 75249 56768 61109 48845 74568 77079 42180 129433 57732 57179 59891 57279 39110 58801 40810 72959 82089 79815 39108 70229 77996 Dinitrosopentamethylenetetramine 300202 269813 472924 254814 399090 290120 387557 209621 323766 343394 323995 267740 325407 335341 378772 454343 296758 270519 317666 437819 442298 273456 367075 338543 434066 474826 292792 236535 458707 392559 371579 369832 374544 370004 371907 381937 Dinoflagellate luciferin 230072 270483 27637 110273 160451 300812 125295 1 133412 181020 207588 132763 37923 262967 150212 281473 10346 179562 188497 214346 205420 307535 147627 245228 95990 143392 180290 182495 211205 155895 184988 47940 164329 232135 255362 252035 Dinor Iloprost 1 1 1 1 1 1 1 1 1 1 38428 36889 100643 50483 49647 81469 50427 54077 9756 84785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Dinoseb acetate 208534 133033 201312 251998 222434 162098 220105 100370 126263 285619 163695 125176 208921 138615 125688 143821 139096 169018 134819 194162 249821 154585 446255 104149 119769 135335 171971 172932 161484 152368 184593 177845 183285 178537 178245 174560 Diosbulbinoside F 10572 1 145563 89509 77655 38890 40469 99620 1 72651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Dioscoreside C 626299 549841 568657 491530 508597 299502 526149 544143 667236 436168 635033 585101 352789 425798 371356 506983 407091 482949 465132 389040 482907 387986 587441 633615 462100 492462 462817 464248 382509 150130 578850 474231 579285 477096 450053 465938 Dioscoreside C Esi-13.767999 154152 99131 191349 87525 1 78228 1 84155 97099 55386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Diphenoxylate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45211 1 1 26404 26488 1 19278 24715 1 1 1 1 1 1 1 Diphenylphosphine isopropyl ester 1.26E+07 1.10E+07 1.47E+07 9424293 1.37E+07 1.19E+07 1.28E+07 1.25E+07 1.39E+07 1.04E+07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9037118 1.63E+07 1.15E+07 1.19E+07 1.08E+07 1.14E+07 Dipiperamide D 1 1 1 1 1 1 1 1 1 1 167295 1 95363 60743 1 175956 320699 165377 1 185923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Dipyridamole 97686 124068 1 1 1 122277 1 1 283013 79874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167302 1 1 208240 Dipyridamole Esi-13.513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1646960 1494529 1609266 2286069 2128417 2274340 Distearyl phosphatidyl ethanolamine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 697285 603783 682348 201734 422269 1 591008 384001 152657 307839 1 1 1 1 Distemonanthin 70374 49737 46167 72846 51512 48528 65539 52294 30567 74760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Disulfiram 119958 277130 274926 65874 131896 212942 144961 211761 347899 192172 213119 147772 342459 141216 233146 212607 241957 251699 147098 127289 1 244971 1 201507 269285 233960 38037 183639 308119 243929 227789 227929 200748 230399 226298 226462 Ditalimfos 203454 240559 94538 195353 182254 150001 74329 10002 1 104362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Dithianon Esi-0.836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55993 1 1 1 62727 64097 86316 42149 1 45489 1 1 1 1 1 1 Dithianon 7146168 3171640 2238410 2777727 5339477 7108680 2850784 8781645 3458821 3233102 9745818 5052941 8614791 5632951 1.23E+07 4269222 2728944 3584977 6822694 6817432 7999729 7766123 2661178 9100904 4652600 3533221 4078380 3370775 1.07E+07 5635116 1 1 1 1 1 1 Divinylprotochlorophyllide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124666 34215 1 1 1 19289 57917 1 1 1 1 1 1 1 1 Djenkolic Acid 77376 317666 168318 631066 307589 222035 413310 226333 35034 280466 759789 37336 159867 62668 181496 254082 370343 140423 286379 26833 146954 329181 447060 379465 162417 53730 173792 358197 494958 18342 69362 520175 148660 181589 269600 240232 DL-?-Lipoic Acid 1 1 1 1 1 1 1 1 1 1 47728 155809 106037 104702 252070 144330 88893 373659 90677 148273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DL-PPMP 91572 1 197124 923132 76519 823587 41208 29150 5367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13443 151546 290827 53483 113244 19893 DL-threo-PDMP Esi-13.547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102511 39907 1 1 1 1 1 1 1 1 1 1 1 1 1 DL-threo-PDMP 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315824 25644 1 14070 23367 1 91914 15335 60959 1 1 1 1 1 1 DL-threo-PDMP Esi-12.943765 1 1 1 22562 275759 15565 1 1 6796 1 39682 211265 18489 1 1 172019 1 59879 1 1693 1 315812 28956 1 14070 23367 1 91914 15335 60747 1 1 1 1 1 1 DL-threo-PDMP Esi-13.577822 1 1 1 1 1 1 1 1 1 1 1 141307 1 13165 54890 175839 13490 49955 1 1 1 193302 42694 22131 1 1 1 53528 1 37485 8119 44180 42885 46761 45770 41542 DMABA-d4 NHS ester 1 69870 1 1 1 4240 1 22933 1 7682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D-Mannitol 1-phosphate 78420 463362 169275 156856 529910 434128 562323 236329 424158 306913 1306876 109162 239572 67835 21009 589450 329847 442025 523966 341237 223461 1136508 268667 468931 176407 128407 113238 45938 733025 134218 685942 748109 209309 220610 204124 562380 Docusate 450595 666327 634001 318231 504831 435531 410605 335958 530219 88840 511894 427075 603497 378178 362505 406159 433240 349875 321896 489758 476958 421740 467865 223772 347989 375521 423414 428209 299854 354975 198132 268761 523963 8934 580213 556254 Docusate Esi-23.757998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476958 421680 467865 223772 347848 376668 423414 428294 306934 354975 1 1 1 1 1 1 Dodecylguanidine 1 1 1 1 1 1 1 1 1 1 1 7950 33230 27741 14389 1 28012 1 31222 32085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Dolastatin 11 1.29E+07 126208 429437 9015905 144470 8341135 296966 201459 1.23E+07 174033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1.35E+07 419942 1.26E+07 267647 236370 1.10E+07 Donepezil 1 1 1 1 1 1 1 1 1 1 123916 125198 210322 190070 62859 320401 157845 1 84926 223898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DPTA NONOate Esi-10.725725 62671 48066 97140 81877 139167 153602 1 26328 40644 70703 102500 38971 104215 77693 23908 113708 58220 30227 32400 86880 167866 69197 127984 64667 68077 50901 40332 35613 100501 106996 1 1 1 1 1 1 DPTA NONOate 34582 123099 110882 70743 94351 105120 69494 130992 137214 144739 220911 105701 106416 104152 118606 91708 130341 95005 77790 85758 100046 98624 123562 341945 256906 238552 91922 97537 84402 93204 117076 106876 159447 139679 131903 105917 D-Tartaric acid 1 1 1 1 1 1 1 1 1 1 221377 120562 233192 135134 117188 149078 116536 105448 125173 135121 1 1 1 1 1 1 1 1 1 1 155516 157098 152943 1 150874 1 dTDP-4-oxo-5-C-methyl-L-rhamnose 95949 352960 129987 332758 66011 55300 188139 154304 76020 11644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DU 122290 163854 63311 25212 59466 26452 12044 156345 7741 21002 25194 34514 27548 21853 10645 1 19294 74890 8486 83166 38783 56722 18472 28445 4224 45251 22019 12776 7838 13192 10645 48350 48391 49595 52644 53093 61132 Duartin (-) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61010 7017 83567 1 11136 1 45211 62987 203856 15193 1 1 1 1 1 1 Dukunolide E 37409 25543 60325 1 28099 4434 32051 23081 27782 33986 32460 34363 61683 29115 34654 31180 26006 26694 22326 32193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 dXTP 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101500 1 1 1 1 1 1 1 1 159582 1 1 1 1 1 1 E-3179 1 1 1 1 1 1 1 1 1 1 71393 105736 130981 66955 136948 132397 83059 56166 124842 163352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 E-4031 1 89678 1 7422 18986 25686 21615 52821 63165 59149 88631 110586 107741 103665 122992 116311 124752 102145 127021 113366 123736 118299 73830 151785 104259 110305 141763 109648 123118 92927 2483 41964 85016 118685 110492 112986 E-64c 95193 19845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 E-64d Esi-8.439941 83397 99035 1 1 42517 1 1 1 29747 1 1 23961 1 1 12614 33994 17446 1 64221 21035 1 167518 26893 1 43316 31262 10797 1 21486 37595 1 1 1 1 1 1 E-64d 2.26E+07 1.90E+07 2.32E+07 1.87E+07 1.49E+07 1.60E+07 1.74E+07 1.74E+07 1.79E+07 1.83E+07 2.00E+07 1.60E+07 2.01E+07 1.87E+07 2.03E+07 1.58E+07 1.77E+07 1.66E+07 1.72E+07 1.61E+07 1.43E+07 1.70E+07 2.60E+07 1.94E+07 1.79E+07 1.50E+07 1.73E+07 1.31E+07 1.52E+07 1.38E+07 1.83E+07 1.68E+07 1.96E+07 1.96E+07 1.96E+07 1.94E+07 E-64d Esi-14.968064 123476 70539 103252 59135 47479 49693 52074 48442 96529 62403 70439 56853 81861 44173 73426 45559 62178 1 48506 128098 1 51789 100141 72192 62247 1 72243 88009 52203 53488 57774 65046 92101 154715 73261 77986 E-64d Esi-9.478 256044 66784 24399 48010 68395 13183 140544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ecdysone palmitate 4266487 416809 531016 231601 324161 189477 336320 242295 400672 702617 1046121 388444 1444286 547746 824135 522864 446607 437470 406461 370063 1097396 555213 1108265 422827 461357 512589 559618 585405 485133 383570 1 1 1 1 1 1 Eicosanedioic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22746 41983 10300 15380 16010 20994 1 29918 9950 13680 1 1 1 1 1 1 Eicosatrienoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98271 111381 131976 125934 83834 101442 69907 96314 100442 86177 1 1 1 1 1 1 Eicosatrienoic acid Esi-18.831545 1 1 1 1 1 1 1 1 1 1 96815 60873 85406 64217 40652 64034 56237 68168 75498 38198 93148 87442 118352 117761 73424 79956 94967 75452 62962 70334 111606 80652 56680 72247 87709 85407 Elaiophylin 1 1 1 193341 1 1 1 147741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Elaiophylin Esi-8.087501 45960 97930 94226 47627 57552 76575 29971 104364 108270 100553 65556 57043 78883 61579 114891 67430 54105 50334 45694 85666 58506 95572 91561 50027 58985 67229 47959 36407 120206 62650 84234 73303 74068 80972 72815 77948 Endomorphin-2 266289 123669 119092 228713 213742 250354 193583 111770 172390 184780 243643 140357 217960 101534 144274 182305 152872 128024 126774 62730 248454 142822 277286 192835 179388 220569 184731 153291 202140 150295 160564 156337 200458 170701 178767 202087 Enkephaline, (D-Ala)2-Leu 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022967 979236 2465377 1677278 1292140 1294575 1050791 1053224 1118683 799758 1 1 1 1 1 1 ent-8-deoxy-J2-IsoP 1 1 1 1 1 1 1 1 1 1 1 48735 1 37247 30274 1 17485 1 20473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40002 1 71356 ent-Epicatechin-(4alpha-8)-ent-epicatechin 3,3'-digallate 1 1 1 1 1 1 1 1 1 1 144890 151713 150398 125810 93539 129805 138380 144213 156720 162045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate 40143 57310 23811 33013 40852 24694 18839 23144 38424 28833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Epitheaflavic acid 3'-gallate 1 1 1 1 1 1 1 1 1 1 79605 51370 1 55119 64899 68245 38726 71586 65519 40008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Equilin sulfate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36170 50319 60657 33677 21759 39542 Eremopetasitenin A2 1 80465 1 1 1 16470 1 48738 112356 7961 1 116513 12279 30855 90194 1 8153 74343 68347 59143 1 105947 1 46979 97934 98692 19714 91779 93183 51610 1 1 1 1 1 1 Ergosine 2674068 1211740 3939305 1382961 1862511 1562275 1341782 737780 1589344 1180778 2830371 1165244 1583505 1884633 1382465 1488032 1173765 1400746 2621027 1090933 1471853 864531 3149314 3189799 1823556 1599579 1287944 1628704 1282907 1016749 1 1 1 1 1 1 Ergosine Esi-13.778999 2660944 1054281 3833644 1388369 1737180 1087667 1382060 745105 1600266 1292935 1 1 1 1 1 1 1 1 1 1 1493675 534696 3042447 2911156 921963 657553 910103 1062055 817738 1035436 1 1 1 1 1 1 Eruberin C 1 1 116520 1 159859 301895 14828 158895 70898 1 1 1 1 1 1 1 1 1 1 1 10025 343958 738553 459412 545235 444115 560546 452601 353301 279265 1 1 1 1 1 1 Erythromycin C 1 1 1 1 1 1 1 1 1 1 421087 78260 63058 1 37071 102323 74139 49523 58053 51952 34076 38026 52445 184265 117413 65241 47668 35865 1 32271 106095 181274 78723 62908 68783 62041 Erythrose Esi-0.842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 691135 1 1 5190 1 1 1 1 1 1 1 1 1 1 1 1 Erythrose 723398 122718 608500 2287373 209018 912891 1152896 1 199508 844457 178017 342810 655001 146401 214157 257716 423484 89412 419112 969611 341107 719600 1511238 255705 506427 345552 1 1151338 375640 574786 805505 193877 1 217864 184520 48105 Esmeraldin B 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79923 254333 102748 1 91548 195523 Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate 126920 1 1 141372 135961 142520 81746 23376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate 52123 1 83426 37126 34843 1 43086 48959 1 14115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Etacelasil 116179 89208 84157 151771 93711 69307 102824 76908 85936 113876 149183 116519 112043 69480 74514 77486 98069 88192 79458 100987 79200 105699 61789 51812 71640 41076 100352 69839 70116 64192 107043 104509 113455 89594 103347 109275 ETF Esi-1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90105 1 1 419755 333048 195169 1 83361 1 1 1 1 1 1 1 ETF 836952 529029 1 739991 600713 1 443634 193005 718244 69753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 740346 1 1 1 1 1232185 Ethchlorvynol Esi-5.644143 223257 147126 297679 233950 165675 287320 256792 140759 134079 295927 243012 170778 158861 152984 166911 176000 190454 211651 113273 156022 199913 129325 468644 176361 190574 140007 234513 173934 180796 1 215904 215393 239357 238077 222399 232015 Ethchlorvynol 290654 204159 379598 364172 189760 297180 357254 215721 154120 370561 248720 237058 167993 178044 225835 223637 237028 281365 208778 221796 217254 159678 676464 245814 129346 234597 229317 161724 211089 340531 284472 297429 295076 306913 291921 313322 Ethionamide sulfoxide 34944 1 37581 1 1 13724 1 20930 1 212429 1 1 1 1 1 1 1 1 1 1 17632 1 116157 1 1 1 20385 1 1 1 1 1 1 1 1 1 Ethosuximide M3 glucuronide 29119 70972 48219 26128 8196 19759 4659 92215 93375 46237 4900 52217 89739 72876 43953 46611 32001 1 35843 60507 13458 58754 79400 80280 67254 100009 21391 43978 41638 24720 45786 46340 38649 36481 70255 32800 Ethyl 18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56889 38134 157549 123202 53163 62092 41930 62375 22819 29356 1 1 1 1 1 1 Ethyl 2-Bromo-2-iodoacetate 1 1 1 1 1 1 1 1 1 1 1 125415 275675 1 1 238068 667408 197578 1 362273 1 1 1 1 1 1 1 1 1 1 196760 223179 167681 394589 505112 673412 Ethyl 3-O-beta-D-glucopyranosyl-butanoate 194932 186249 190385 189343 156692 173880 126841 166324 180930 168546 240459 222598 225210 161073 162389 209544 222340 247168 173893 205176 211997 217213 136545 141222 180919 177339 188235 166928 167288 118939 214284 205201 216623 207167 210266 211147 Ethyl glucuronide 1.73E+07 162237 1.00E+07 1.57E+07 7460756 1.69E+07 2.32E+07 291091 168494 9531776 1.45E+07 146695 2300470 1851164 390036 5757880 2654783 284633 61342 1480594 1.50E+07 152608 2.11E+07 220233 72298 138936 1406864 240376 83307 182332 7170875 6035316 6673231 4064457 3502222 1592649 Ethyl hydrogen sulfate 1033737 1 806020 252246 710446 147706 2245737 196698 1 895141 1505126 1 195199 182413 43664 472379 197723 1 1 23868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ethyl vanillin isobutyrate 8724 64174 19251 3850 1 1 1 12550 29604 3131 2267 18366 16268 25748 14802 1 1 13502 42491 17748 1 28182 15357 35048 46285 62481 4208 1 25807 33910 1 1 1 1 1 1 Ethynylestradiol 3-sulfate 140063 169527 64510 139671 52297 90786 76075 104611 81192 73673 116276 88785 49689 109140 143105 192371 90826 200533 87000 165995 55126 197440 121218 150103 101867 116989 67323 75135 53485 48439 146150 71374 81116 98499 82934 123377 Etidocaine Esi-13.602999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149412 190175 310668 197785 224638 173986 175931 158859 205183 128734 1 1 1 1 1 1 Etidocaine 242453 549323 542995 551292 146741 97639 116868 332756 321976 131226 93354 98521 191755 559739 301722 475693 121100 126713 205012 210031 1 1 1 1 1 1 1 1 1 1 313621 292408 300147 325485 289334 299520 Etidocaine Esi-13.603334 173784 208207 215430 169138 79288 103834 181724 224023 219270 211955 229894 184293 238183 201862 248734 175726 180779 193816 192274 195130 149412 190175 304194 199347 224638 173986 176811 171283 180144 129022 131837 182824 213031 215675 212567 254742 Etidocaine Esi-19.356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142507 28135 1 1 1 1 etizolam 28113 97149 44211 55757 51931 27377 227157 37558 24228 72501 314676 31979 111875 18778 64608 32912 108285 45276 63392 29069 87904 143004 127602 23466 23385 41481 18013 185332 4600 15948 1 1 1 1 1 1 Etofenprox 72354 65070 191588 225839 1963844 126746 332902 83035 389418 66541 177610 365895 82379 112100 96860 710389 735791 118298 77847 2607788 175113 760292 176303 75782 121445 1003394 247246 406660 844206 21890 220374 332710 557633 302625 580963 306382 Etomoxir 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4345 1 69558 5536 1 7541 1 1 1 1 1 1 1 1 1 1 Etrimfos 260927 611125 664567 144286 270052 453719 301393 429648 833925 486780 458321 293413 771317 302554 582929 476275 521418 582303 315444 268584 1 510538 91906 427794 631342 498032 77265 367072 639033 579963 473417 465470 490176 485406 487992 485595 Etrogol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56653 13317 1 1 1 6968 1 1 1 1 1 1 1 1 Eucatropine 1 1 1 1 1 1 1 1 1 1 24439 32752 29065 19513 23570 29503 25775 16617 1 24145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Euchrenone b5 1 1 1 1 1 1 1 1 1 1 966423 749255 743601 598047 483044 520200 654904 722533 569355 546778 574836 630146 981597 642366 596300 571652 522286 570494 575847 481414 1 1 1 1 1 1 EUK 118 204311 166917 303553 298021 163867 329174 282834 174148 94847 509468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Evasterioside E 1 1 1 1 1 1 1 1 1 1 27759 62993 37313 23186 17405 62862 43271 34434 51745 36028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ezetimibe Esi-18.233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107836 108080 145608 128288 81351 49597 Ezetimibe 180691 63770 245338 163849 62206 129657 96076 151202 41037 50714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90739 97763 31333 36203 38175 1 Falimint 1 66534 97618 21926 5586 5904 13988 76611 84106 8926 1 1 1 1 1 1 1 1 1 1 128922 119650 25132 14521 79354 100179 44300 132487 149633 356169 1 1 1 1 1 1 Famotidine sulfoxide 29947 28124 50746 29914 14424 40132 54142 36967 30625 61468 1 1 1 1 1 1 1 1 1 1 36208 25470 115005 72338 8913 37102 22995 41311 1 55105 1 1 1 1 1 1 Faropenem 1 1 1 1 1 1 1 1 1 1 59696 36219 62400 59657 75917 62631 49433 48670 56100 45151 1 1 1 1 1 1 1 1 1 1 61966 57961 61790 58743 64622 59730 Fenclorim 1 1 1 1 1 1 1 1 1 1 63429 606711 79951 52548 149636 449400 566674 114380 535565 231928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Fenirofibrate 1 1 1 1 1 1 1 1 1 1 96655 18276 54111 35549 62752 13057 19470 27463 36461 41224 1 1 1 1 1 1 1 1 1 1 54913 39748 21037 34203 35710 51301 Fenirofibrate Esi-0.83699995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50868 210591 192131 130420 191612 147330 Fenoldopam 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161364 153582 161662 307847 399096 1 Fenoterol sulfate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17506 1 1 1 76900 64665 1 92220 1 1 1 1 1 Fentin acetate 79708 75309 66224 1 33189 48549 1 51454 81407 27100 56829 80474 58892 67983 64871 41950 63655 60387 65450 47918 22479 85415 89448 62534 89488 78694 40482 46212 73374 51964 70895 68370 40664 77032 1 73904 Ferrichrome 208379 112787 120275 174594 238162 270931 130611 90432 156400 100167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152283 130551 133939 168802 70939 88262 Ferulic acid 1 52047 1 1 1 1 1 28913 37167 17666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Feruloyl-2-hydroxyputrescine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5903 74443 26518 41797 30506 46480 Fetidine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215406 1227677 192419 195453 266208 305426 418197 391615 1 157785 1 1 1 1 1 1 F-Honaucin A 45798 31044 57232 41947 36899 24339 40790 29750 32569 66004 1 1 1 1 1 1 1 1 1 1 43917 30628 146354 27564 37021 30924 37142 26889 31332 47154 1 1 1 1 1 1 Flavanone 7-O-[alpha-L-rhamnosyl-(1-2)-beta-D-glucoside] 126187 19433 1 85627 89423 108167 71227 52110 31395 26193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Flindersiachromone 56836 52826 101098 58305 89459 56195 64681 59867 52043 87730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Flindersiamine 1 1 1 1 1 1 1 1 1 1 17244 27121 1 29935 1 36860 1 1 40452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Flonicamid 56212 337508 110558 443599 288950 266346 172296 1 55346 118697 1079602 5672 333494 81359 667279 71392 193571 127715 433232 262555 110169 892144 1 130729 135836 96498 43236 133095 153774 100848 409154 273336 46948 167351 169508 74401 Fludioxonil 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177195 1 1 1 1 1 1 1 1 1 1 1 1 1 Flumiclorac pentyl 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248364 232265 61792 12669 12225 26084 Flunarizine 1456145 278767 1391525 1045983 932680 1275590 815668 678686 392826 302005 362442 301605 287601 237675 165728 162316 197222 304197 215445 175629 262373 196297 553950 352951 242734 248860 203770 233397 193996 196775 1086534 973194 299418 266042 284040 263200 Flunisolide 69855 25256 67642 1 1 1 8261 15127 6434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Flunitrazepam 1 1 1 1 1 1 1 1 1 1 1 32648 1 14371 1 108838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Fluoroureidopropionic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268061 1 1 1 1 1 1 1 1 1 1 1 Fluotrimazole 1 1 1 1 1 1 1 1 1 1 1 41646 29447 33554 12071 32972 1 1 16975 40861 49213 16030 1 12477 15680 19898 29531 26295 27127 25730 14304 1 31844 29244 1 37115 Fluperlapine 1 198866 39705 1 13864 38518 1 120325 1 161685 1 1 1 1 1 1 1 1 1 1 239789 191885 206887 218547 283358 228109 115029 138874 232865 72346 1 110540 279669 199389 316114 1 Fluphenazine enanthate 68155 89666 262269 151914 161240 86148 165841 113811 111871 93343 1 1 1 1 1 1 1 1 1 1 100639 47716 260640 215343 105806 73670 99554 68318 78524 63548 1 1 1 1 1 1 Fluprostenol isopropyl ester 1 1 1 1 1 1 1 1 1 1 25421 1 82627 7742 8787 8094 2749 1 3539 8082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Fluprostenol Lactone Diol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122976 3835 5537 6840 1 1 6530 9079 1 1 1 1 1 1 Fluprostenol methyl ester 149303 85415 81845 96522 98580 73639 72786 104464 41857 102343 156789 68998 234615 92131 140337 173160 118920 107945 135136 95810 181284 87716 126932 87238 103399 112019 132308 120356 117702 114490 152393 108703 147210 108734 157962 99920 Fluprostenol methyl ester Esi-17.805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28341 1 33743 28681 Fluvastatin 322668 192577 284055 331053 339742 448229 402557 590338 561550 270962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297344 460186 354858 1 1 73372 Fluvastatin Esi-19.509502 1 1 1 1 1 1 1 1 1 1 407391 601113 586290 107075 629701 632775 702594 742368 731156 153554 593567 128563 54291 788779 777287 735277 708691 805603 701921 712210 1 1 1 1 1 1 Fluxofenim 300555 1 85210 19269 58728 196027 9143 34487 10530 184682 36595 1 1 13620 8488 13012 62966 1 1 17843 1 1 1 1 1 1 1 1 1 1 14824 26825 41622 2087 1 48934 FMC-5(d18:1/24:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57299 70817 1 61408 1 38228 54145 1 51759 1 1 1 1 1 1 Foeniculoside I 100009 75767 83478 67398 63486 83682 88496 40676 82529 53853 1 1 1 1 1 1 1 1 1 1 77353 35662 51749 60358 65954 52505 66108 43343 53645 46339 108572 91660 63945 68172 63605 64482 Folic acid 166779 28854 130593 1 77274 84896 53422 1 39451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68645 76420 50216 1 1 41942 Folpet 1 1 1 1 1 1 1 1 1 1 47281 77555 1 141635 62934 1 1 101100 1 50171 1 16796 5679 1 42592 109512 1 79854 1 1 1 1 1 1 1 1 Fomesafen 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54415 1 121966 1 1 1 26980 10355 26847 36987 1 1 1 1 1 1 Fomylciprofloxacin 39775 19198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Formononetin 7-O-glucuronide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29588 18573 23039 26976 29368 Formoterol 99920 83359 73852 40761 40056 1 1 40342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Formylpyruvate Esi-1.255 1 1 1 1 1 1 1 1 1 1 219086 790845 366923 351659 369754 366539 453343 729976 575165 107874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Formylpyruvate 277830 364802 309831 249667 232588 285076 169252 44464 328012 183127 1 1 1 1 1 1 1 1 1 1 359168 448394 247180 30131 348953 365544 418460 218464 344820 369594 334142 345343 355487 340610 297183 367835 Fortimicin AO 93242 70238 108092 58475 1 107214 55311 80341 68376 67794 80773 124359 52999 75119 71771 46133 72427 90878 72843 84298 47960 83459 102935 34607 80323 1 42878 53325 74109 58397 68501 64075 67868 73865 78319 78384 Fortimicin AP Esi-11.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32242 1 1 1 88495 1 1 1 1 1 1 1 1 1 1 Fortimicin AP Esi-10.715143 1 1 1 1 1 1 1 1 1 1 1 27460 1 36844 1 1 1 32697 82272 23880 1 76423 1 1 1 139577 1 1 1 1 1 1 1 1 1 1 Fortimicin AP 1 43485 39034 131155 136985 134370 94020 72859 58162 77611 70924 81688 132469 81187 84235 108361 41022 123201 68504 87530 51329 33665 76729 55647 50883 94348 70921 108359 105890 1 1 1 1 1 1 1 Fosinoprilat 1 1 1 1 1 1 1 1 1 1 1 183572 1 1 114749 131098 128724 35483 9090 71755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Fosinoprilat Esi-10.661 1 1 1 1 1 1 1 1 1 1 1 13499 97676 27180 167830 59210 29831 4090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 FR122047 1 32665 1 1 1 22631 53461 85841 33211 28804 1 1 1 1 1 1 1 1 1 1 19204 32440 79614 43280 44392 36176 1 26524 1 26780 1 1 1 1 1 1 FTY720 phenoxy-biotin 77644 1 207464 1 1 75622 74785 1 21475 103439 1 1 1 1 1 1 1 1 1 1 74850 1 151114 104092 1 102083 56290 53741 79734 35564 106149 270794 105312 78316 194936 51914 Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128511 196172 102071 137686 182926 135185 185231 137494 121576 183517 1 1 1 1 1 1 Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-15.069 1 1 1 1 1 1 1 1 1 1 310192 273839 322955 50861 61992 162872 282809 311034 292221 42305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82607 56438 92802 92389 80554 69179 1 86671 1 1 1 1 1 1 1 1 Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312001 188345 274117 263673 257241 243079 Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) 1 1 1 1 1 1 1 1 1 1 756567 813505 729024 679170 539867 802463 1 657223 653292 1 135090 179388 185516 184342 171120 189430 149543 1 162205 135105 1 1 1 1 1 1 Fucalpha1-3GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/16:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32655 106041 22352 39896 49697 43871 40305 43400 127646 27357 1 1 1 1 1 1 Fucalpha1-3GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) 193314 121620 180881 167367 236700 100207 188641 171793 165179 91674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) 110782 81595 168658 81019 133911 79791 99248 108915 124379 48166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109985 126767 108537 85648 77770 91809 Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232000 1 1 189019 155402 110371 154577 1 105202 1 1 1 1 1 1 Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-14.553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163006 137248 122832 117435 119279 94983 Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-14.548002 1 1 1 1 1 1 1 1 1 1 121334 64515 122541 114686 54685 157289 69069 67950 80085 117442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Fucoxanthinol 160967 105484 1 68821 44929 148197 99454 1415 25405 33285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Fursultiamine 27630 19678 30202 21087 36586 17318 18318 1 20247 31915 1 1 1 1 1 1 1 1 1 1 93738 1 1 1 1 1 36142 36064 1 35885 32167 38213 15822 11620 34107 28993 Fusicoccin A 181663 80853 242307 249118 224117 252491 120898 158492 62148 74380 1 1 1 1 1 1 1 1 1 1 53617 66135 141235 91677 62924 54734 62599 66637 52774 50521 1 1 1 1 1 1 Fusidic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212308 40798 1 1 1 1 1 1 1 1 1 1 1 Futalosine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4805 1 4306 1 G?6983 21584 68207 6162 1 89063 46835 50164 29591 97249 50440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Gal?1-3GlcNAc?-Sp 1 1 1 1 1 1 1 1 1 1 75208 1 31828 34429 62729 25626 40100 57272 29200 37932 55831 1 114683 66022 1 52580 50223 52000 13466 49739 275629 161587 149705 133701 117781 107520 Galactaric acid 371304 868073 270408 298543 281354 24987 327626 366411 446852 138410 198271 222304 370840 251529 89714 237155 225813 208160 343162 337192 518318 297957 174311 201597 453854 370067 151426 270485 481405 146376 4448 417831 174216 436498 304303 195278 Galalpha1-3(Fucalpha1-2)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 96911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327881 166830 187216 48448 Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) 8444 7544 74292 1 29413 9826 1 1 31259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) 1498924 1265752 1526204 1233582 1057418 1387117 1436391 1337347 1373308 917609 1192596 1202187 1118591 1153490 938883 1345129 1095871 1037352 1010445 1237690 1086898 1232110 1143039 1122053 1053335 1252535 923211 1048258 1082110 805075 1420522 1374012 1234796 1200387 1163614 1119932 Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-14.280001 1498638 1265752 1523821 1230879 1057046 1387117 1436475 1337347 1373308 917082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) 1 24813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Galalpha1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190225 164256 1 148328 1 1 175788 159580 191851 1 1 1 1 1 1 1 Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) 1 15172 1 10251 1 1 1 147712 58219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158311 171916 61599 142825 144074 176144 134452 156542 153474 80655 1 1 1 1 1 1 Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) 382468 298287 377335 345133 236972 338023 354193 388687 485413 257291 260472 224558 309647 260039 279514 193219 256307 235256 244815 200165 198886 216846 332129 304383 245098 197838 249256 182690 191051 219667 318479 352668 295034 291281 255138 242096 Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/14:0) Esi-14.026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189047 79210 327018 285785 135686 122635 97584 72639 1 17297 1 1 1 1 1 1 Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/14:0) 277002 128602 553238 194683 208056 202631 197397 188733 158411 134329 248354 150309 263795 168943 171780 211640 131521 156142 187359 121267 183804 83072 319919 338649 196115 1 99720 86914 101923 93557 292427 258039 215937 204982 189177 157909 Gallamine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24359 46624 85326 34653 45093 46882 28481 40784 43492 35384 43269 30886 40729 41705 43055 40984 GalNAc?1-3Gal?1-4Gal?1-4GlcNAc?-Sp Esi-14.18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367916 322682 292450 275121 1 256667 GalNAc?1-3Gal?1-4Gal?1-4GlcNAc?-Sp 329148 294120 302020 269557 205925 285355 291526 167038 261238 248893 226738 279381 282120 275739 153097 229657 282085 261711 281922 239983 265184 203484 262404 266016 276916 97043 254105 217598 238412 237269 1 1 1 1 1 1 GalNAc?1-4GlcNAc?-Sp 162157 183506 1 31841 67320 1 187708 34509 51747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 1 1 1 1 1 1 1 1 1 1 109375 97688 65081 132599 121054 80249 58336 101051 26479 26397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/18:0) 136632 83436 122906 107201 99010 92802 116603 76581 94200 41467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GalNAcalpha1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527135 411223 361784 351514 307493 342227 GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99357 93927 61545 51533 47766 50676 GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 8142987 8246044 9205908 5383700 3180120 6763288 7806657 6865084 9198550 3636321 6813277 7150073 5979308 6539573 4259497 9598892 5288613 5116108 4796463 8206440 5960395 8711139 5947114 5925865 5312198 7706053 4010555 5483634 5889408 3259304 6202169 6274210 5993352 5944018 5698559 5346366 GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) Esi-13.995312 250429 317238 190058 155582 490629 195990 256499 192053 341876 92481 174841 274469 108063 211663 104503 344283 152150 136803 116103 325717 1 1 1 1 1 1 1 1 1 1 249107 228324 231691 218420 209238 217151 Gambieric acid B Esi-15.449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77943 378556 291592 1 242079 296450 Gambieric acid B 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324040 606012 187626 234838 187955 277771 228354 1 527053 1 1 1 1 1 1 1 Gambieric acid B Esi-15.044999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2136772 1583170 2024885 1950497 1965350 769112 Gambirtannine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15274 76695 34022 1 1 1 16956 8026 48588 1 1 1 1 1 1 Gambogic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164328 171204 122624 132004 240389 171634 603438 200700 189598 612411 1 1 1 1 1 1 Gamma-glutamyl-Alanine 627884 113061 316675 60430 315716 614270 133891 1 1 1267155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ganglioside GD3 (d18:0/20:0) 1 1 1 1 1 1 1 1 1 1 177264 161761 205647 325452 1 102304 141970 151008 61292 172884 186979 62639 132572 86683 50793 180504 109114 212580 131445 58661 93559 108464 1 1 1 1 Ganglioside GD3 (d18:0/24:0) 196994 1 261000 138801 231178 118881 1 1 1 59124 1 1 1 1 1 1 1 1 1 1 232023 188414 219152 1 201598 300585 155143 139034 199048 154622 195776 170953 1 124073 65850 115839 Ganglioside GD3 (d18:0/25:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667846 854554 654004 660674 600435 747851 507879 636115 637826 443357 862101 856515 760509 749662 724134 728964 Ganglioside GD3 (d18:0/26:0) 1 1 1 1 1 1 1 1 1 1 483474 500545 466023 482763 372045 608759 398303 423025 412624 554322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ganglioside GM1 (18:1/22:0) 574514 485462 581128 462908 205155 505476 520242 508784 519047 347848 246090 182231 220366 293477 235403 295046 225342 171229 186920 327548 1 1 1 1 1 1 1 1 1 1 312322 174711 274884 269946 257308 243763 Ganglioside GM1 (18:1/22:0) Esi-14.879001 318481 229372 179970 231871 305945 292027 306901 202367 285147 234742 1 1 1 1 1 1 1 1 1 1 65845 217437 244275 186921 211889 37222 200337 166804 197146 209123 1 1 1 1 1 1 Ganglioside GM1 (d18:0/23:0) Esi-14.559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221015 175265 225506 208290 204773 282647 168721 144163 199984 185956 1 1 1 1 1 1 Ganglioside GM1 (d18:0/23:0) 802842 753525 819491 1034364 603015 1001882 145561 854710 574317 736140 679691 907474 444036 626168 887661 599764 271515 883807 626084 880516 1 1 1 1 1 1 1 1 1 1 837603 837437 691354 553426 515845 602806 Ganglioside GM1 (d18:0/23:0) Esi-14.870058 311260 925441 325584 1268284 361697 1226801 348809 1021669 142894 948104 445889 424296 173693 448184 402545 270214 124408 402822 430787 407711 498878 692309 775926 743947 733320 381134 733537 686846 733009 749962 335519 282667 235495 286155 300031 234972 Ganglioside GM1 (d18:0/23:0) Esi-14.567172 334307 227174 462640 281170 377169 256300 294378 259271 328051 1 319479 224999 299933 286532 197192 272492 200461 160565 211082 229627 283953 226351 278347 138970 253475 323229 207575 178609 265115 230767 1 1 1 1 1 1 Ganglioside GM1 (d18:1/22:1(13Z)) 1 1 1 1 1 1 1 1 1 1 63556 106625 69862 39779 261875 227301 80186 249714 92308 114916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ganglioside GM1 (d18:1/23:0) 106150 51983 99093 79902 140273 71066 89015 58737 91741 28247 1 1 1 1 1 1 1 1 1 1 204024 152375 1 172495 167095 200914 122178 116664 159551 138187 1 1 1 1 1 1 Ganglioside GM2 (d18:0/22:1(13Z)) 1 87216 1 1 1 1 1 30458 99817 299656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ganglioside GM2 (d18:0/24:1(15Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38959 39286 42918 Ganglioside GM2 (d18:0/26:1(17Z)) 335345 263433 396073 224763 708063 283157 309939 198693 315253 104708 208567 200563 94105 237369 137196 430298 170524 142715 132401 339273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ganglioside GM2 (d18:0/26:1(17Z)) Esi-14.23 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67380 50495 92401 94258 59347 70278 54314 54717 68968 32441 1 83393 83682 75766 75842 83818 Ganglioside GM2 (d18:1/22:1(13Z)) 1 1 1 1 1 1 1 1 1 1 116511 1 183616 131293 124448 1 45616 128571 125307 130881 1 1 1 1 1 1 1 1 1 1 1 1 132825 155034 130169 144584 Ganglioside GM3 (d18:0/12:0) 1 1 1 1 1 1 1 1 1 363000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ganglioside GM3 (d18:0/25:0) 1 1 1 1 1 1 1 1 1 1 344258 101620 100022 188707 103135 134211 87509 105628 99838 112522 63121 104073 87077 90324 71249 77030 62731 64077 71272 93017 1 1 1 1 1 1 Ganglioside GM3 (d18:0/25:0) Esi-13.782999 1 1 1 1 1 1 1 1 1 1 1 79342 1 97435 102427 105555 93192 111006 89423 128386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ganglioside GM3 (d18:0/26:0) 1 1 1 1 22424 1 1 1 201367 65997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ganglioside GM3 (d18:1/12:0) 5371282 4807218 5762877 3411641 2635279 3045743 3398872 4271885 5447322 3471251 4671181 5963716 4361383 3347115 2278638 3779233 3228331 4331257 4204720 3071105 3629589 3922252 3923385 3763622 3516290 3685831 2858707 4059930 3149400 2689890 4517330 4465401 4048214 4104225 4003736 3851236 Ganglioside GM3 (d18:1/14:0) 1475314 664811 1319149 937270 1028622 950314 970180 761295 752545 291568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ganoderic acid F 79922 110752 98816 71684 110783 34433 131214 1 153099 142489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ganodermic acid TQ 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299893 170376 338626 95963 155797 221979 193192 140212 188270 169773 1 1 1 1 1 1 Ganodermic acid TQ Esi-23.747498 1 1 1 1 1 1 1 1 1 1 170076 132240 165557 130293 87984 127995 104427 104293 107130 137386 320588 231498 364854 106695 181462 242195 214108 191861 90987 205054 1 1 1 1 1 1 Garciduol B 1 1 1 1 1 1 1 1 1 1 85429 8627 71667 1 4125 20525 32528 47591 82846 45793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Garciduol B Esi-18.406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560460 203568 1 1 1 1 Geldanamycin Analog 177532 1061907 1252970 1017484 2118712 825349 1147326 767012 975500 531576 1619797 1126572 1277341 1727586 1560348 2515384 1335939 1359961 1201129 1981071 1685968 55880 2452715 1640732 1694194 1696568 1362303 1 45381 575936 1 1 1 1 1 1 Genistein 4'-rhamnoside 1 1 1 1 1 1 1 1 1 1 326273 328113 487396 241132 124008 38531 176340 542684 174441 586025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Gentamicin 119613 38631 98857 91581 25212 72552 1 30359 39165 159003 6717 20165 88119 35023 69437 105903 1 42652 1 43584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Gibberellin A3 83772 177600 70574 65204 369469 132878 207345 379321 284185 26050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66115 110119 438354 45326 207772 196738 Gibberellin A53 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389238 1 1 1 207745 1 1985 1 1 1 1 1 1 1 Gibberellin A92 472815 472630 622380 312795 459773 401550 477206 303620 483074 468585 737010 480660 755492 558502 449077 523414 492304 477121 465031 616612 981974 600252 1020165 313321 498591 537921 559489 586437 284429 465791 256231 349348 623354 335713 678117 733459 Ginsenoside Rb1 Esi-14.899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300516 898754 937475 1065400 1035945 539867 896677 780665 1025408 1028618 1 1 1 1 1 1 Ginsenoside Rb1 Esi-14.56789 658514 361921 720903 467389 1636919 407839 438906 443845 512435 302876 522704 346623 524211 434704 333214 478956 351491 269683 296242 363521 388119 297594 373104 191383 344736 416194 256492 260176 376278 283984 572395 551012 450881 392364 368241 339506 Ginsenoside Rb1 1756636 1100619 1801213 1564130 1546398 1454717 1444707 1162911 1237591 1318199 1255081 1068284 1000891 1157246 1086148 1075685 714426 1019471 1061843 1021551 381025 1185976 1312183 1153514 1291933 635777 1177389 1128680 1174190 1303368 610809 1451832 1194468 1116513 458774 988680 Ginsenoside Rb1 Esi-14.887374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300796 901610 938081 912120 1036521 539867 901094 781372 1025842 1028618 599858 1451832 1208026 1119462 458774 988680 Ginsenoside Rs2 363671 306248 388551 302521 1 321663 252884 318482 297510 286550 233753 266964 223874 203168 203737 250701 236603 225628 251734 237931 1 1 1 1 1 1 1 1 1 1 368486 346285 251312 214457 246217 221815 Ginsenoside Rs2 Esi-14.407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234873 112883 267281 39139 128408 84009 234006 219341 236613 90248 1 1 1 1 1 1 Ginsenoyne L 1 1 1 1 1 1 1 1 1 1 35741 91452 76416 1 1 58005 67471 86505 47744 67386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ginsenoyne L Esi-9.911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51897 36843 52237 58146 58299 56892 Glabrachromene II 100644 55901 85391 104058 25148 77261 77168 61983 75584 40264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Glandulone B 90547 275191 137649 597807 502002 383794 480986 112929 73681 163625 758468 118369 177224 291441 151552 246591 268435 133842 260576 32997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Glandulone B Esi-3.2642305 119009 275191 137649 597807 502002 383794 480986 112929 154466 92244 1 1 1 1 1 1 1 1 1 1 259290 340282 600368 404708 14460 63059 128777 219932 422333 6961 346582 481451 171777 206356 173931 378768 GlcCer(d16:1/18:0) Esi-23.399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 751980 1 29215 1 1 1 GlcCer(d16:1/18:0) Esi-23.715746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3861049 1571294 593550 575489 1431336 1325417 1659941 1427647 937289 728479 2331717 1929303 1977625 1379502 2183925 2563531 GlcCer(d16:1/18:0) 8353266 1250321 6446697 2095541 2830795 2648057 2398595 1067325 1459039 1947291 2722809 1175311 3538118 1721907 1423938 1328411 1292600 1310106 816742 1756635 3861264 1474442 2369681 575489 1427786 1324969 1658139 1418277 943529 728479 2218990 1929307 1978932 1379685 2198150 2563980 GlcCer(d16:2(4E,6E)/20:0) 197990 115500 329832 104722 1 161251 128224 69055 125714 123261 258391 134327 280603 119626 112980 102520 109047 104209 91797 101170 379986 122840 346756 118483 148290 136444 116882 136776 92586 122920 157307 146317 177999 101439 191462 201259 GlcCer(d16:2(4E,6E)/24:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197364 211741 357942 162333 79892 115045 170653 24518 44978 124110 1 1 1 1 1 1 Glc-GP(18:0/18:0) 230912 1 238071 155936 133669 115663 255299 187390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180804 90293 1 1 1 1 GlcNAc?1-3(Gal?1-4GlcNAc?)2-Sp 1 1 1 1 1 1 1 1 1 1 56198 37214 36777 50767 44347 57936 32993 26863 37122 54596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GlcNAc?1-3Gal?1-4GlcNAc?-Sp 1 1 1 1 1 1 1 1 1 1 28439 160756 37044 1 46177 107657 39210 1 112572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/16:0) Esi-14.669 284049 226975 304924 1 241170 148247 148776 180094 228704 39871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/16:0) 170627 62658 331783 1 182295 97499 1 78445 33306 36538 107293 1 77353 89075 58010 90864 41693 16421 45296 56134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-14.850999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258330 301041 123866 258961 249131 288753 GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-14.592156 1 1 1 1 1 1 1 56498 67077 102580 191003 192846 218073 165324 251558 157376 238550 129434 18971 179623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-16.559 1 1 1.29E+07 1 6536830 1 377012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) 7.81E+07 2.99E+07 8.72E+07 4.40E+07 6.84E+07 5.25E+07 5.34E+07 4.29E+07 4.53E+07 449190 4.36E+07 2.45E+07 3.71E+07 3.60E+07 3.49E+07 4.03E+07 2.28E+07 1.72E+07 2.22E+07 2.83E+07 3.48E+07 1.83E+07 3.05E+07 2.41E+07 2.28E+07 3.12E+07 2.04E+07 1.52E+07 2.09E+07 1.77E+07 6.00E+07 5.19E+07 3.51E+07 3.20E+07 3.28E+07 3.14E+07 Glibornuride 1 1 1 1 1 1 1 1 1 1 1.24E+07 1.04E+07 64792 4324 1 5953291 7684946 1 1 1 271308 1 468811 325696 284957 223139 190448 260258 250226 240993 1 1 1 1 1 1 Glibornuride M2 (p-carboxyglibornuride) 371899 227333 313945 148627 184690 143892 272751 169374 244093 117147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Gliquidone 481541 501200 1639340 1390806 1482550 1445568 1636897 1652856 1229114 666139 550928 631242 1319270 701459 1058982 779897 908823 696248 954477 627742 839597 726409 892901 230005 520625 613291 626266 534187 347877 711954 275939 1126152 1015394 422978 754183 652862 Gln Asn Arg 68407 295786 1 1 138055 7165 44616 23770 57471 1 1 33909 45731 107043 20692 150550 62799 13896 132280 25090 1 251877 50393 26551 104813 57549 22147 36007 38396 1 79897 77446 81948 72287 77316 89107 Gln Asn His 146500 69211 199522 159157 171975 194167 165144 156908 122582 105689 140086 94408 115941 98334 58772 1 96465 92944 81782 1 109125 95285 137788 115437 108935 70542 77120 85397 73945 85116 189659 186066 44369 111220 91854 60067 Gln Asn His Esi-17.809042 1 52876 1 1 1 1 1 121332 100005 1 170970 187645 273155 223851 182566 270479 226037 151034 163544 234896 187901 139193 209839 79115 117326 150918 191893 191456 257500 86904 1 1 153772 149002 192880 189709 Gln Asn Ser 15999 1 46323 16885 1 19845 21881 21672 8089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Gln Asp Phe 2048 64761 1 2971 9857 28617 3004 125817 25140 34376 1 1 1 1 1 1 1 1 1 1 68470 28655 176126 13444 39573 113426 131436 128485 42641 52171 1 1 1 1 1 1 Gln Glu Gln 464243 380545 415916 257518 444171 331865 352769 233567 294863 290480 358842 374287 323842 353125 297565 369826 341572 329639 314237 305436 380371 408104 491578 386932 337369 317967 275241 322673 262272 220755 199307 274110 372222 399066 403248 449126 Gln Glu Tyr 1 1 1 1 1 1 1 1 1 1 64019 12985 89036 43853 30505 9325 28001 28642 24208 6791 1 1 1 1 1 1 1 1 1 1 1 37584 3498 35576 43194 84906 Gln Ile Val 1 1 1 1 1 1 1 1 1 1 24446 30878 54472 145901 75291 114669 33500 26642 51113 50764 17575 30542 216504 234082 63228 91628 124454 22650 48040 38687 113519 105751 103968 103370 95047 99100 Gln Phe Ile 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109599 54598 10525 2424 5454 1 Gln Pro Leu 2835878 1029078 2968679 1971243 860486 1082280 1198957 1107753 924756 1192252 1354689 882554 1372824 1215028 1491414 830221 1101774 1145345 1155898 851755 839337 948049 2988171 1243928 1119395 760835 1264969 760115 823039 1003889 1646688 1018732 951319 941501 877143 942444 Gln Pro Leu Esi-18.393852 279183 90697 283108 313485 306888 353746 262953 192653 92868 98891 105714 96494 90684 80325 49717 64989 63163 99907 77371 58174 51498 59026 132627 92842 59281 90828 49598 76722 47132 38909 318059 264882 76273 95775 1 91099 Gln Pro Pro 1 1 1 1 1 1 1 1 1 1 1 36970 22305 112742 30021 32712 38978 35443 25014 46047 24220 129398 1 1 1 58963 14154 21374 26401 24182 1 1 1 1 1 1 Gln Ser Cys 33970 85352 87052 94222 80881 96276 105710 88248 78083 130729 80408 88573 84538 84833 90807 78236 101304 102427 104364 86276 79534 95102 77358 77624 63968 65735 89882 83087 67614 88227 1 1 1 1 1 1 Glu Arg Phe 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309103 249592 99121 34299 97698 82674 Glu Gln Gln 317893 133065 163902 176990 186851 210334 225361 260911 172418 106523 78541 125194 52467 133821 112849 131717 69845 124565 118809 126318 136130 132969 83922 43748 77105 127377 48675 37253 126345 105609 1 1 1 1 1 1 Glu Gln Val 81162 59857 28877 64306 60230 84520 110076 37092 58537 29516 57370 108230 54023 80825 80261 181576 51754 23121 60087 73718 80425 73826 38887 32166 57340 83182 38358 39121 59410 100677 84859 87508 86515 91731 86659 82918 Glu Glu Thr 1 1 1 1 1 1 1 1 1 1 42619 36128 1 31584 1 1 34814 1 1 22963 62330 40903 74854 79998 54381 43421 17231 39646 63164 1 1 57094 41460 72213 70305 148067 Glu His Arg 92757 305749 1 1 11552 1 61873 36508 33299 1 16141 44099 29007 47137 1 1 87175 1 356538 51132 19839 111352 1 49089 86733 83482 20258 1 55000 47268 1 1 1 1 1 1 Glu His Glu 141546 138495 185341 67529 126215 144175 165972 263770 171730 107183 450750 663241 529838 609422 631741 470827 550033 659617 605625 573421 84648 61952 170509 138339 107055 109203 109804 118321 113759 107566 293538 378327 486878 617863 534391 589690 Glu His Ile 108100 34118 32933 122461 1 92453 59391 40543 78251 1 181605 46531 1 20815 53070 119269 2448 1 1 34832 1 21691 43254 6482 19638 1 1665 72994 33800 45735 1 1 1 1 1 1 Glu Ile Arg 103047 42229 123320 116750 147806 149452 157777 1 43211 28384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Glu Ile Leu 120121 108152 1 1 6389 1 48515 3409 26877 1 1 5166 31375 24446 6973 1 33809 4625 195057 21373 17589 112913 1 17775 99089 22570 1 7969 37439 131420 49129 29842 51997 51645 48816 51904 Glu Ile Lys 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42734 1 1 1 1 1 1 1 1 1 1 1 1 Glu Ile Val 6026538 4115553 6241821 4942904 3312980 3991827 4344410 4252808 3766669 6154743 4256232 3579261 4503894 4087895 5035999 3167336 4125817 4207211 4300793 3370305 3392286 3458224 7335571 4311296 4147957 3132378 4523473 3193486 3277719 3944595 4622852 4238250 4263826 4206791 4336635 4469481 Glu Ile Val Esi-5.766665 93520 158265 28337 19839 19941 31484 41779 20109 40347 29124 19182 35744 20738 22190 20364 28258 40759 24342 146646 36337 36522 135403 28065 47171 73782 66877 21132 22647 51061 153151 43427 48143 50152 52727 53124 53149 Glu Ile Val Esi-5.9629984 216101 268500 50485 51012 34209 35527 110416 33997 82915 29124 48106 74103 62430 57148 53669 55315 108974 55972 290315 92292 67224 233378 36924 73636 157268 108279 35125 50044 100259 229796 91699 102542 109573 90986 112120 111648 Glu Lys His Esi-19.547081 1 1 1 1 1 1 1 1 1 1 105171 47171 70614 648775 428044 602840 59069 67133 504414 478606 116640 366017 162630 159631 35623 333737 72598 50552 434237 46126 52694 127329 503051 75634 84411 70507 Glu Lys His 305532 397244 242749 195096 218691 155078 234408 360452 406036 289983 581583 421233 598081 648798 430809 603266 586907 348181 505050 479787 545601 365777 449349 676752 375869 368054 522232 286752 435337 119955 200439 359062 505985 502240 488584 505391 Glu Met Trp 592014 267099 545686 531860 325978 495191 412522 415897 307768 367893 244498 229203 255046 255124 339791 168677 276469 294900 306876 172368 213077 208830 496116 252147 268253 134106 320791 201044 204019 296832 510414 314683 278376 280391 287291 263096 Glu Phe Glu 196223 117216 184309 175357 129078 106041 131874 138750 115979 123362 207368 167532 206615 198560 203829 171437 190009 171468 182214 165256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Glu Pro Thr 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2928133 5571936 3712715 3570775 3272046 3398458 Glu Thr Asp 763698 406191 794587 433102 583985 498685 534496 473836 432319 369452 517977 284058 534801 338171 320304 309649 302738 268838 285296 299621 493968 311297 467556 99229 283600 261982 273186 283521 147441 231309 154780 378830 397412 198579 383029 346923 Glu Thr Thr 446457 359477 347770 448373 507325 610556 599314 604528 56901 561726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Glu Tyr Pro 25826 29261 9272 13223 20414 47172 27613 41706 27624 77702 29164 22016 59408 42795 17410 21575 56566 40232 21142 33895 22940 94124 58050 1 1 9643 29147 21321 25935 1 22102 34832 46982 45039 3607 56566 Glucoconringiin Esi-6.1020007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78016 7386 77638 98686 80507 6841 61396 110083 93146 1 1 1 1 1 1 Glucoconringiin 42637 107438 107587 18868 50268 72381 43193 70277 132963 82794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88692 90882 94676 96220 88300 91344 Glucoheptonic acid 1 1 1 1 1 1 1 1 1 1 999368 1242948 1692549 401418 1178283 1379469 836285 1079477 1463760 1890729 2000604 1028387 1129535 664090 708285 979943 1398169 1363960 934511 2483621 1 1 1 1 1 1 Gly Asp Val 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63132 140009 162338 62956 40870 194339 Gly Gln Gln 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71252 51076 26666 1 1 2081 1 1 1 1 1 1 1 Gly Gln Gly 1 1 1 1 1 1 1 1 1 1 170371 13222 45966 18496 7295 1 1 1 11569 22542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Gly Lys Leu 1 1 1 1 1 1 1 1 1 1 2072 24429 10331 114836 29162 67236 1 9403 33672 31478 6716 80832 1 1 1 23308 1 5359 1 1 1 1 1 1 1 1 Gly Tyr Asn 1 1 1 1 1 1 1 1 1 1 46015 11243 46580 50194 4477 13309 83446 43992 11431 63059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Gly Tyr His 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72932 102809 1 1 1 1 77426 116488 1 94439 1 1 1 1 1 1 Glycerol 1,2-cyclic phosphate 467166 174771 234311 396171 415046 1 407583 95863 136172 305894 516049 336493 305527 388635 135786 116219 78230 1 1 472344 606267 153766 470048 247895 1 228642 260021 1 1 412186 1 1 1 1 1 1 Glycerol 1-propanoate diacetate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1255281 4355069 3059256 2563248 3683530 2729300 1792853 1029050 3387026 2213315 1 1 1 1 1 1 Glycerol triundecanoate Esi-20.89194 2400 178747 1 1 1 39472 41046 50084 128583 62997 1 1 1 1 1 1 1 1 1 1 140286 189169 118248 207917 116800 191787 203871 180495 143397 3253 1 1 1 1 1 1 Glycerol triundecanoate 118346 548108 62289 141522 278516 207491 90671 317361 1006014 99740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662772 128326 450236 321808 228480 417867 Glycerol triundecanoate Esi-14.857001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651586 688016 1098933 930946 509571 1054214 Glyceryl lactooleate 306633 1 166602 227024 116034 148724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Glycosides 282801 149269 267618 281513 61034 366216 219680 171600 98206 171304 63819 132901 89783 148124 64829 39426 82092 190634 21149 86330 1 1 1 1 1 1 1 1 1 1 194300 177153 135083 138313 143416 133927 Glycosides Esi-9.361889 68180 52790 48978 89773 120221 46483 76752 54207 72855 36647 111762 172459 89750 61519 61514 36817 90124 74249 103078 116191 64059 117361 23485 61075 70541 146140 55746 87625 92266 86218 78151 95739 81498 78729 76913 71268 Glycoursodeoxycholic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6485 1 105667 1 16711 1 12125 1 1 7262 1 1 1 1 1 1 Glycylalanylprolylmethionylphenylalanylvalinamide 1 1 1 1 1 1 1 1 1 1 236895 241678 237556 140231 154116 199604 151872 174722 227163 233714 375089 376654 292619 350636 340645 337130 345454 263523 357170 126403 463292 435386 415713 306708 332411 332850 Glycyl-H-1152 54844 29408 60664 56096 63946 50931 64835 7080 38333 57829 32256 1 1 1 1 42685 1 1 1 1 99696 44241 96384 12504 26504 50043 12196 1 30973 63605 40201 1 56316 60000 51036 63915 Gly-Nap-OH 162307 74386 24529 113351 113201 80088 1 36380 33734 72634 53178 70958 107745 1 1 1 1 1 1 115150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Gly-Nap-OH Esi-0.83899987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131402 1 37655 30907 51812 73478 89854 64762 70109 43316 1 1 1 1 1 1 GN25 237101 168948 250504 144531 169598 163548 173669 141850 163789 151922 219861 145412 232587 176382 147223 162372 151810 141726 143092 164575 222987 153330 242162 95273 147621 147287 145140 159965 82978 129280 53019 128204 182337 185135 189688 176646 Gnididin 813462 431049 869909 1 1 1 572924 451009 170359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Gonyautoxin IV 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61284 6392 1 1 1 1 68117 1 1 1 1 1 1 1 Goserelin Esi-13.974999 1 1 1 1 1 1 1 1 1 1 1 101108 43457 74849 82136 72741 117812 117235 107656 73820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Goserelin Esi-14.011 39269 97483 20475 130699 112628 65553 105279 89981 110159 106188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Goserelin 205102 178590 213962 499525 137486 422483 409372 443673 440668 456997 360513 467838 452954 421064 332933 371459 412574 492086 477599 374880 427959 381161 413505 424216 417285 364248 421059 414188 384489 420243 442819 483057 394691 427473 409614 373997 Goshonoside F6 1778157 1310398 2405451 1470677 1783441 1832268 1405815 1 1 1221854 1397405 1388743 1319914 1277130 1055432 1140002 1241740 1348645 1128584 1149448 1219759 1210739 1601820 1320977 1270771 1154279 1052953 1177676 1091521 1055100 1 1374706 1 1309412 1 1 GPSer(16:0/18:1(9Z)) Esi-14.094 1 1 1 1 1 1 1 1 1 1 66207 106848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GPSer(16:0/18:1(9Z)) 331821 82236 101395 262457 150257 322382 1 1 1 1 87525 106834 44568 1 94483 43875 111047 106244 52834 133394 1 147922 176588 12197 1 109451 32319 34681 54852 63280 314233 1 31560 75194 23831 82697 Granisetron metabolite 4 sulfate 1 1 1 1 1 1 1 1 1 1 8685 14660 1 7435 1 1 23929 1 45767 16890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Grossamide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58614 1 1 251294 1 76096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GSK264220A 1 1 1 1 1 1 1 1 1 1 101470 90743 106296 76185 77416 90440 81113 41448 62841 79606 94697 63269 91336 39750 86422 97393 92715 81746 85981 84349 71607 61898 105665 1 97094 99666 Gualenate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24242 55955 44180 44608 44913 52830 23867 19483 44945 15867 1 1 1 1 1 1 Guanidinoproclavaminic acid 1 1 1 1 1 1 1 1 1 1 119663 19363 48264 1 1 10192 14469 1 1 10955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GW 3965 101527 12409 181357 118084 111651 121084 147366 51899 26075 9767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GW 6471 Esi-13.514 137180 145089 89361 7144 109286 151339 124265 137130 84525 137656 269540 89087 46222 194412 135664 180608 148372 157422 152670 201872 237049 199453 84100 162591 76662 202921 91195 102289 170170 98563 108975 82464 226902 204231 220173 152744 GW 6471 Esi-14.841889 176825 88747 131497 146289 1 145639 138759 194827 123176 100138 96456 89775 107674 119848 110217 97799 92263 123688 103047 86716 147107 113932 126691 99084 72943 110608 112328 157398 125340 124781 199858 177141 138343 73770 99491 97343 GW 6471 Esi-13.727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184912 353770 451643 445919 378737 276887 GW 6471 733770 90119 131497 806000 134282 742363 649641 480132 470514 114570 947391 704520 568064 659956 469827 789732 477024 494489 665974 556410 476777 614967 57109 262969 1 603589 602918 609845 591631 669551 254536 613167 355887 304141 272378 309678 GW 7647 Esi-23.759872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527843 393457 548936 224957 343557 356814 380493 388383 219868 348395 161462 178592 315515 167342 455585 492154 GW 7647 207254 274238 282737 189717 241072 223294 237594 211834 273762 255061 357150 345286 376891 342219 259771 307094 278127 325129 312257 368691 525030 404010 544108 108553 345372 331283 389073 406668 394042 342863 161144 180008 319145 167899 454054 480408 Gymnodimine 1.79E+08 1.72E+08 1.74E+08 1.35E+08 2.18E+08 1.81E+08 1.31E+08 1.77E+08 2.00E+08 1.41E+08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 HA-1077 67618 75955 1 19866 18635 3074 32664 13526 14733 1 14753 29421 11320 34235 15157 18576 70069 11147 104432 34896 1 132904 1 12848 65927 38665 23112 1 29069 21159 1 1 1 1 1 1 HAMI3379 121261 58478 52569 90632 161249 69241 104665 1 71745 103164 75851 61018 102772 109847 117877 131343 80860 96505 63432 108684 1 1 1 1 1 1 1 1 1 1 78848 1 61768 62278 87572 66868 Haplophytine 637059 232017 685695 1 524041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Harrisonin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29260 5694 81831 8493 12883 1 7521 49818 11569 1 49824 43452 19612 33411 39986 70346 HC Toxin 1 1 1 1 1 1 1 1 1 1 17645 46189 14023 32370 1 44560 69960 60001 72343 41718 1 1 1 1 1 1 1 1 1 1 76567 83346 38877 60884 50548 48925 Hedamycin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86493 1 79067 1 76156 85877 Hedamycin Esi-15.987 68950 43565 1 1 1 188224 78777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Heliotrine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4582 23815 113426 34849 47683 18228 1 15124 1 1 1 1 1 1 1 Hericene B 18777 10822 1 1 7216 53691 5962 1 13139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Hexacosanedioic acid Esi-20.018232 1 1 1 1 1 1 1 1 1 1 132817 183351 146174 100161 77272 169475 211413 174083 163242 150566 177990 172000 72831 186234 161954 220450 141454 185108 172980 99618 93890 275462 129237 200683 201990 143363 Hexacosanedioic acid 314330 193490 304108 303278 428326 382092 333269 297225 228130 288405 259459 291610 220255 234525 178309 223755 371500 372161 290237 360109 287353 269093 192895 345987 309064 364493 284690 320209 342567 198063 192410 409624 286371 323570 318719 317377 Hexahydro-2',3alpha-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan] 596004 326655 301351 256900 298565 285139 1 1 1 10150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 His Arg Ala 178852 34174 102064 100507 85108 109752 87984 65881 52166 29312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105542 91097 38056 31850 38743 34351 His Glu Asn 1 1 1 1 1 1 1 1 1 1 58843 32748 112647 61504 24591 55954 84241 52613 27744 37720 1 1 1 1 1 1 1 1 1 1 79400 7520 33436 25345 64269 120418 His His Cys 1 1 106825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 His His His 117408 127286 95567 115868 109708 71648 82743 86627 94711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34258 52156 36457 1 27851 23027 His Ile Gln 282450 1 281202 65899 361061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 His Leu Lys 1 1 1 1 1 1 1 1 1 1 265550 385971 429383 323637 296257 433705 357100 405969 241921 435853 391011 357710 289125 246766 294528 416032 281118 391918 407741 189845 1 1 1 1 1 1 His Lys Asp 223983 266925 38263 96162 96921 27772 260899 61392 53132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57218 112582 105958 97925 65546 115227 His Lys His 388397 61930 23500 100169 1 1 277057 1 1 4724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 His Lys Phe 42879 25483 17164 1 1 15484 86919 112145 20117 2040 3186 48851 17501 42690 32336 51062 1 1 100590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 His Lys Phe Esi-6.1037855 1 1 13209 1 11848 1 19147 43331 15955 1 1 30935 17657 9128 19891 31111 3562 1534 65683 9350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 His Met Ala 93542 312778 191708 192471 212803 261773 261252 496738 310935 233008 1036300 497981 343113 404219 536608 317638 654232 561305 410334 409202 313021 530796 488671 1592349 1541885 1229642 406029 450327 382332 444304 208721 417950 617514 730446 692926 762291 His Met Ala Esi-17.569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301905 536832 488154 1582894 1559079 1229642 325711 451568 398335 430881 1 1 1 1 1 1 His Met Glu 1 1 1 1 1 1 1 1 1 1 319562 215901 282350 255269 313228 236451 306607 272970 319200 254539 351712 273204 814412 430632 484312 266490 1 283848 1 432683 1 1 1 1 1 1 His Met Lys 24883 1 16754 57845 67385 32069 36246 9241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 His Pro Trp 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93482 8234 1 43912 18125 1567 8959 13404 1 1 1 1 1 1 1 His Trp Ser 785408 620898 748539 587050 636143 606188 612183 573091 626914 570808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123065 338601 508786 270550 482897 456007 His Val Lys 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22677 1 83366 83086 35791 1 5401 15914 10935 1 1 1 1 1 1 His Val Met 138001 91895 115360 43436 67917 56704 138912 155871 54484 1 122359 104394 90241 95378 49372 40866 27098 108558 64733 49408 76792 1 128742 1 1 63349 57408 1 64877 1 1 1 1 1 1 1 Hispidulin 7-(6''-E-p-Coumaroylglucoside) 1 1 1 1 1 1 1 1 1 1 157661 1 1 126313 1 193528 377567 1 1 188928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Histidinyl-Aspartate 1 1 1 1 1 1 1 1 1 1 36909 49331 86259 115521 106737 109421 70943 68882 70442 31958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Histidinyl-Hydroxyproline Esi-0.77300006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546196 1678471 3147559 3499459 1 3495898 102780 321230 1 1 1 1 1 1 Histidinyl-Hydroxyproline 743336 382462 1909833 2164357 1873490 2442051 2343904 1232308 335817 328972 4581098 671171 448812 561902 761495 426127 926285 790474 564175 545213 385027 774222 779663 1.27E+07 6757060 3725968 498668 565270 512262 669746 1 1 1 1 1 1 HMBOA-Glc 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36579 28310 1 1 18699 HMB-Val-Ser-Leu-VE 160834 120996 169152 111270 135998 1 117862 82618 109865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 HMB-Val-Ser-Leu-VE Esi-15.069617 1 1 1 1 1 1 1 1 1 1 120984 71562 186730 113775 135260 91049 92838 82617 65688 85198 134854 111701 149342 60319 79909 68877 103436 74814 97979 82239 116473 97574 119954 131200 129115 71348 HMB-Val-Ser-Leu-VE Esi-5.619 24203 12215 25073 35841 76546 1 39427 1 12771 11621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Hodgkinsine 90274 208354 36423 1 109275 1 59759 88092 115315 1 1 120530 54324 149176 73636 246052 88568 1 82617 133653 59778 300292 1 199567 1 47613 62615 101677 63167 64651 1 1 1 1 1 1 Homocystine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80480 55763 296970 73374 44166 46659 81841 83133 45063 157571 1 1 1 1 1 1 Homodihydrocapsaicin 176484 204654 211115 236005 236352 284821 215084 449255 318363 212367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 HoPhe-HoPhe-OH 2594797 361846 2242542 2031135 2068799 2848607 1059766 863827 442211 348705 496074 413474 380616 394046 190768 250397 338327 406083 359176 318224 332936 348449 634631 342680 364013 274691 319566 367222 359547 288150 2770789 1083718 375850 273682 312856 279995 Hordatine B 2078209 1055690 2542092 1610456 1254348 1363667 1687022 514380 1092094 584426 1891256 1562120 1462630 1138351 1135134 953795 1328034 1760344 1578887 1729991 1332987 988662 1398366 1103303 1919245 1594632 1471241 1670957 1136936 1423926 1967440 1162874 1179403 857435 1785318 474327 Horhammericine Esi-18.71 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240313 1 1 1 1 1 Horhammericine 642968 1 594175 707075 704782 749615 527603 214418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Hovenidulcigenin A 1 1 1 1 1 1 1 1 1 1 2835506 1639242 1875606 752814 1695502 2563461 1083292 1746217 1671267 1940771 1 1 1 1 1 1 1 1 1 1 993448 2381570 1985336 211782 868240 2228865 HPF 170699 25288 102910 318717 54125 107561 19973 83435 16435 28814 1 1 1 1 1 1 1 1 1 1 68343 8669 210091 10205 7861 15408 55281 9978 23963 12315 28057 36346 44134 40572 1 47182 HPF Esi-1.523 1 1 1 1 1 1 1 1 1 1 60135 1 1 23642 1 30206 60670 1 10679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Hycanthone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106303 1 1 78560 304473 565279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Hydramethylnon 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87111 107036 113755 61099 103314 116421 Hydroxymelphalan 1 1 1 326877 1 340378 744357 1 1 563911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75666 229267 283427 37911 27797 728795 Hydroxyminaline 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2314 60420 100266 65768 12717 39082 1 88221 54022 118685 1 1 1 1 1 1 Hydroxythiopental 2356747 3150254 1974724 8946114 6485157 6700224 6060207 2930484 1197018 8436490 1.15E+07 2453070 3079070 4590424 4420192 1129154 3940987 3418538 1234878 2367084 5281705 3911759 1.47E+07 4849525 1824482 2879066 1493798 7567848 2180690 133884 4654619 7361257 3282710 3279166 2914423 6178328 Hypoxylone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130280 4106 1 4770 1 1 21797 4816 1 1 1 1 1 1 1 1 Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-) Esi-14.070586 1 78346 1 1 1 7791 1 13024 28616 13014 7268 97580 50842 62146 49359 12440 14764 84206 102976 48167 1 129215 47921 29643 118088 86345 19156 101519 41285 24663 1 1 1 1 1 1 Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-) 157210 268633 193806 176496 152366 214188 146200 161079 232066 170529 369640 427250 403031 485385 496923 334309 353573 290332 388443 383743 392659 418100 438976 380845 480250 384491 248198 347784 486288 268454 93734 213906 418471 470491 409010 447837 Ile Ala Asn 1 1 1 1 1 1 1 1 1 1 35334 66262 35760 41509 1 40478 56161 45907 43054 37419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ile Asp His 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248835 269710 415977 276957 221432 199017 260857 245872 267298 256785 1 1 1 1 1 1 Ile Ile Lys 54659 86129 76061 37555 65080 76543 42386 63817 66217 79071 88737 1 61238 84857 85388 41652 46973 49461 63305 37367 52975 1 186462 30535 54950 1 54492 31188 32862 36066 1 1 1 1 1 1 Ile Lys His 279190 167350 164434 192797 173511 106384 186768 194969 82853 189782 229709 137385 368960 188575 258889 228749 173177 212577 207838 157382 268733 183373 245486 144322 188125 166366 215694 206081 173249 183223 242977 224398 299956 279188 264832 267783 Ile Lys Lys Esi-18.367002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80094 69479 25367 23102 19200 24940 Ile Lys Lys 83057 17415 1 74266 91314 129089 72422 31693 9901 28726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ile Phe Ile 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59193 45701 51241 55618 68006 52308 Ile Val Gly 8280 11498 1 8398 12814 14792 17546 1 7173 12221 1 1 1 1 1 1 1 1 1 1 1 5868 1 1 1 25415 1 22999 12219 15108 5637 16467 20271 25597 10071 26148 Ile-lle-OH 220669 105552 215729 226385 48818 281893 171041 133306 72694 132929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ile-lle-OH Esi-17.959187 220669 119939 215729 226385 48818 281893 171041 133306 72694 132929 1 178945 113069 163311 114102 1 152278 209635 103970 1 55540 141989 335040 182127 128370 108598 83724 110869 112128 63830 1 1 1 1 1 1 imidapril 1 1 1 1 1 1 1 1 1 1 1 1 85067 145563 1 76366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Imiquimod 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16800 1 326165 15762 13718 12883 22036 13269 7841 45529 1 1 1 1 1 1 Indinavir 1 66881 1 1 1 1 1 85315 5164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Indolelactic acid 2076591 647219 4798731 1795854 854956 2114698 1859254 786562 558162 4081422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128139 1123180 1257632 1387847 1282043 1375977 Indoxylsulfuric acid 129451 72610 49153 154421 98859 152228 159725 104833 138511 119658 197157 205928 185903 115126 113581 186480 210324 208721 156279 191061 155523 105165 66068 123109 153587 155710 125949 167507 226266 42394 133585 120476 127866 201178 199538 183819 Inosine 2',3'-cyclic phosphate 1 1 1 1 1 1 1 1 1 1 473626 58193 293787 130439 64122 333388 624541 795988 358104 136563 271455 293944 63481 254396 164072 250935 67973 148130 10345 9308 1 1 1 1 1 1 Inosine-5'-carboxylate 84971 103910 97186 95180 94077 66533 99657 81842 94636 58359 111203 126468 114779 116914 119685 111263 107023 116893 87786 111294 114766 114072 117724 115683 122590 120199 136262 88263 128578 120201 97394 105317 109507 124055 127642 122711 Ins-1-P-Cer(d18:1/22:0) 1 1 1 1 1 1 1 1 1 1 31642 85730 17459 32083 48333 188029 17274 41857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Integerrenine 514679 665818 53168 253990 379235 540193 268865 456658 363819 451500 563812 341348 82716 525820 369477 780260 31957 464731 539552 581614 493688 682240 327256 631477 255418 333062 458021 443672 583764 350152 410807 399427 443080 657311 600617 698460 Integerrenine Esi-13.511475 1 1 1 1 1 1 1 1 1 1 512487 332425 82716 1 332006 673177 31734 475107 509082 576486 483022 702948 346358 626944 293447 389386 457829 444460 530691 346380 1 1 1 1 1 1 Integerrine 1 1 165327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Iprovalicarb 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6657 1 66081 9691 10339 1 11997 1 1 1 1 1 1 1 1 1 Iriediol 522583 3760 763835 634888 702605 647472 496752 200815 40054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 897127 436264 1 1 1 1 isepamicin 545359 983097 428447 1 654992 783224 141191 1077265 352985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 isepamicin Esi-13.792515 1157695 848324 1 848803 1230526 403114 634829 340842 665957 466821 1554615 1204184 163034 1204266 1041855 1755585 1089625 844258 1283468 1286181 1062901 941368 1182840 1676159 1269107 1299454 1050543 1052971 1121545 823795 505350 996213 1412357 667843 1459115 1384811 Isobutyrylglycine 592122 682790 615832 393273 391370 130390 128403 548018 598740 295025 401039 423392 399592 465904 488018 283262 398168 584991 363755 354562 382478 412158 759175 573417 596893 572968 404024 312216 594556 457463 588451 489932 546170 513932 535417 507358 Isoeugenol phenylacetate 246293 136207 245685 226179 142734 198835 271347 167736 188686 192270 235408 180999 163870 122506 134717 132924 180667 280492 145936 185395 179239 170139 146742 68631 158600 121387 132865 101185 132120 62542 212839 133099 223175 213169 77058 171990 Isoferulic acid 3-sulfate 269921 39249 30756 247393 98395 56779 257732 39484 164902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99236 28784 309040 196965 119953 1 Isofraxidin 81682 64726 150257 147427 51635 76426 100001 81174 56076 117224 66000 69294 63378 53109 63350 74385 84852 93973 50694 66093 80436 55763 267558 73379 44166 64867 81841 83133 45063 157571 73505 103971 96208 71253 101717 85396 Isomorellic acid 66333 19513 58118 54724 95244 50325 71028 38493 27536 19799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90549 82161 28488 20763 24524 21258 Isoorientin 6''-O-alpha-L-arabinoside 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126121 68322 1 13597 1790 1 Isopentyl gentiobioside 15436 70703 70614 63276 1 11721 1 49853 34460 1 13214 1 35338 88002 38920 62615 5897 1 24868 27965 1 21759 89476 85326 25965 33443 1 1 20435 13652 1 1 1 1 1 1 Isoplumbagin 1.02E+07 4582538 6853123 7673388 7638278 6778040 8634034 6703965 6977500 8366074 1 1 1 1 1 1 1 1 1 1 1.43E+07 4259361 1.09E+07 9373336 5500907 9319218 3410031 5262090 3137054 8286061 6369221 7585420 6846428 1.16E+07 1.15E+07 1.10E+07 Isopropyl apiosylglucoside Esi-18.751 1 1 1 1 1 1 1 1 1 1 1 55949 55228 1 1 1 1 61440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Isopropyl apiosylglucoside Esi-18.040003 1 1 1 1 1 1 1 1 1 1 1101057 1696487 1227742 4086365 1263245 1129111 1530089 2117580 1113808 1241222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Isopropyl apiosylglucoside 2057338 2374491 2359091 2582613 997889 7579880 1054860 2864890 1339153 2579859 643505 2379323 2183327 3273588 987036 705091 1633795 3628542 721412 822375 738358 1920574 6291582 2311497 1161109 1139756 813072 2528855 1010479 460340 3346626 3361544 1822717 1710280 1541654 945596 Isoreserpine 1 1 1 1 1 1 1 1 1 1 1 256154 220423 343654 407694 313721 359148 365434 292723 316955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Isorhamnetin 3-[2''-(4'''-acetylrhamnosyl)-gentiobioside] 1 1 1 1 1 1 1 1 1 1 138906 22865 44589 31242 30312 15146 65393 55574 30237 26292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucuronide) Esi-20.356 96584 1 91456 59472 81229 65594 62910 5944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucuronide) Esi-6.0989995 1 1 1 1 1 1 1 1 1 1 68108 42991 102127 42308 74566 68209 76420 69986 44071 38936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Isoxaben Esi-12.109461 121586 93350 45236 90211 181095 127197 180626 111373 51199 126081 1 1 1 1 1 1 1 1 1 1 173752 385102 102814 113066 136739 154162 164033 210877 142985 21758 149873 151430 209300 158858 178922 154952 Isoxaben 118679 60778 96189 61432 168890 75015 184411 84488 32421 98173 116137 296528 121807 74973 52484 254982 196895 123929 59423 139959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Istamycin AP 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6896 63909 1 1 1 1 3249 1 1 1 1 1 1 1 1 Istamycin B0 1 1 1 1 1 1 1 1 1 1 50412 11462 1 33623 32797 25487 36869 39945 40193 11767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Istamycin C0 Esi-16.0415 501796 1120906 1119329 1014993 758781 832858 531226 1007484 1229797 1032748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722691 860208 1193563 1097473 1114875 1058064 Istamycin C0 Esi-15.586999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370976 276125 530509 508926 479875 462814 Istamycin C0 940486 1119061 1127798 1014513 755580 830464 529341 1006915 1133222 1033731 1495544 938690 1085329 1017786 1055737 1010992 1261742 932360 1366658 730711 536588 721791 2588319 1607346 1036278 745320 1133436 563575 748925 325169 1 1 1 1 1 1 Istamycin C0 Esi-15.5872755 528646 537797 649438 357112 256827 425880 346544 403106 436205 521516 438735 261577 394396 700289 515893 210338 385543 362086 404053 207218 288535 316033 1746933 632006 439311 263980 375003 241460 221996 325809 322059 283744 492738 511457 477397 432957 Istamycin KL1 1 64410 90739 1 28399 132539 65156 71651 77927 68288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Istamycin X0 428958 773897 1302571 335515 398696 724666 207470 787239 626073 780380 726483 791228 640528 773412 890380 360064 566886 985514 1014492 371362 462773 470647 4423290 1437247 914962 578373 638353 598540 650930 924812 586343 744723 767524 873594 891135 872305 Istamycin X0 Esi-15.615997 :1 1014560 110292 361587 314456 625097 513993 7047 472898 25169 555857 1 1 1 1 1 1 1 1 1 1 167432 204548 837996 793185 277301 307778 334583 268166 265369 323937 492973 461190 640652 565374 560411 576158 Istamycin X0 Esi-15.622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3973 43137 58411 789787 7807 187133 339784 218714 7610 298060 1 1 1 1 1 1 Istamycin X0 Esi-9.9388895 13712 25718 25718 1 1 55253 16577 52771 43756 174216 1 1 1 1 1 1 1 1 1 1 28515 34516 204343 67524 50209 33080 20026 67222 65764 21288 1 1 1 1 1 1 Istamycin X0 Esi-16.171446 108676 64477 219074 87351 69574 171743 130802 126912 58138 100838 83969 61068 75586 87475 77380 57809 88364 101507 63367 59619 52577 55545 181796 80304 65481 24622 50248 51649 31620 19540 107454 107828 96622 100935 100639 98051 Istamycin Y0 204481 81936 127993 127630 133175 162118 50887 123790 95494 145204 105109 121272 100323 61718 107441 84973 102706 141242 110126 87883 39007 66994 461028 137542 91583 57343 88518 36790 1 65590 100068 135261 102020 124314 61258 115763 Jaceidin 1 1 1 1 1 1 1 1 1 1 2980 1 8869 5250 1 1 27006 14889 55364 1 1 49836 1 1 16847 20465 1 15301 22511 20231 1 1 1 1 1 1 Jadomycin B 157949 1 147732 120771 122867 126943 105949 66068 35423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114701 96096 24620 19937 29703 11093 Jamaicamide A 213281 49295 237724 159085 155209 194907 143261 101703 69979 47246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Jamaicamide B 9096 1 1 103792 53416 59574 23757 30312 1 22623 45085 72233 23539 7377 11907 67790 31205 39593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Jamaicamide B Esi-11.435726 1 1 1 1 1 1 1 1 1 1 221948 197243 25638 1 1 61840 1 111527 1 1 1 1 1 1 1 1 1 1 1 1 104974 43843 98133 89877 101197 105463 Jamaicamide B Esi-10.62047 1 1 1 116994 141507 49907 15097 1 1 1 86606 115762 12183 1 3700 102820 1 63644 2470 1 16601 203895 100483 13211 1 1 1 67005 1 18311 1 1 1 1 1 1 Janthitrem C Esi-14.425043 1 1 393772 1 1 1 1 1 1 1 1506580 450599 525632 398130 366551 371201 291430 370466 345586 376921 1 3061164 280024 342025 332239 444064 296269 367555 328609 371556 429948 453738 416242 1 1 1 Janthitrem C 2158569 3284607 2403009 1022408 2712377 1416057 1050026 2015905 3377233 841345 1452087 1637763 941806 2228278 1393671 1246984 467035 429199 1395270 1621463 982684 2528384 686611 410365 1075717 2645222 420410 1926641 1268138 1104470 2188145 2503973 2132347 2084759 2083407 1675022 Janthitrem C Esi-14.674221 1 1 1 1 1 1 1 1 1 1 968408 1343848 1182206 1488825 607569 1297707 1 1 554183 641471 172124 1 613034 1 1 1 1 134860 238273 1 1935146 2410181 1901485 673488 1343787 1474951 Janthitrem C Esi-14.837 387528 450821 380586 398553 488966 310972 636280 569895 558608 224456 421362 653715 588371 3303269 282665 846885 1176195 1013478 598288 488630 433891 546946 163055 317256 388005 589755 418989 370025 579894 1213539 1 1 1 1 1 1 Janthitrem C Esi-15.099999 1 5506008 1 5886003 1 2539972 4019167 4467655 8298212 2348041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Janthitrem C Esi-14.834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 612283 375118 400602 440192 546868 1648123 Jesaconitine 58702 1772208 2448466 352446 2374985 599926 1191712 952704 866537 691694 1126058 907145 2043760 2287158 1766327 2108217 1755123 1233788 1405367 137043 1657335 1561152 1952176 2144668 1731515 2357951 880729 1397429 1718737 328058 632459 453871 2136679 1788088 1903505 1914151 JNJ-10198409 167956 318215 297461 284686 272207 287299 281820 291400 309523 315820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 JNJ-10198409 Esi-12.412695 1 1 1 1 1 1 1 1 1 1 299556 294187 303530 270247 244652 302877 298204 306108 298737 312232 227206 305033 283733 316009 308383 265006 302809 314560 309577 283312 225677 261025 295487 309258 290250 304770 JP104 123665 91065 59603 101637 61152 119567 104554 110683 45165 106316 110978 38911 270637 93173 135790 68564 71918 86512 83683 51032 151147 74203 161640 57418 47008 61179 89066 82334 59738 64204 106854 114868 114290 103019 115101 116814 JP83 108162 57866 116154 122932 122844 150056 72578 87051 56629 57564 69258 89021 70288 59016 36645 39856 57498 93092 60318 50675 48093 51254 115493 67978 53859 34096 32687 51195 30874 43230 108330 110278 56137 54786 41446 55245 Jurubine 1 1 1 1 1 1 1 1 1 1 3205661 4269234 3182909 3136140 2204358 2644888 3438037 3737418 2884707 2886642 2252336 1662693 5367106 4090583 2640894 1115160 2831470 1110156 847988 2647199 1039428 1635277 3126852 3931106 3923707 4111288 JWH 073 N-(4-hydroxybutyl) metabolite-d5 Esi-6.25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63377 60667 74749 73176 65867 56728 JWH 073 N-(4-hydroxybutyl) metabolite-d5 95940 22344 1 6190 1 1 37003 6075 12953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 JWH 073 N-butanoic acid metabolite-d5 1 1 1 1 1 1 1 1 1 1 73008 67971 66636 102616 104826 78350 68055 81257 71054 53467 42994 80028 161797 87915 84593 64398 66748 51350 77734 56511 1 17757 103297 116166 95068 97718 JWH 081 N-(5-hydroxypentyl) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45811 36025 134389 69334 48577 43856 39801 52002 36734 38109 1 1 1 1 1 1 JWH 081 N-(5-hydroxypentyl) Esi-18.811003 1 1 1 1 1 1 1 1 1 1 41847 1 59204 1 44905 29676 48539 1 60258 72878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 JWH 200 2'-naphthyl isomer 846667 1 836352 395444 568733 669238 699341 1102827 862166 856967 1 1 1 1 1 1 1 1 1 1 817174 976788 1525736 1245540 872285 788273 707878 905088 753627 920454 1 1 1 1 1 1 JWH 200-d5 156702 118702 12409 84692 53478 1 230819 36264 23753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36832 18704 32924 47822 32245 38484 JWH 210 N-(5-carboxypentyl) metabolite 27517 85483 17086 4621 21345 12878 1 1 46770 27051 52520 90449 64906 95491 50713 67273 64812 60298 64357 61289 60813 113468 84313 96830 71059 76296 75715 72188 54021 49174 1 13297 61745 122158 134784 113908 JWH022 1 1 1 1 1 1 1 1 1 1 355841 445716 339921 481487 639087 563208 574238 461600 446998 560233 570358 535221 157495 619067 449383 561578 550552 248278 602361 139918 10152 498201 370716 629273 215639 476242 JWH022 Esi-19.05115 1 1 1 1 1 1 1 1 1 1 360842 552446 408003 412969 218336 448747 419530 508983 404815 494754 381674 273022 124704 440217 274804 413065 456705 279468 443060 171616 207509 498201 397772 417091 181376 539427 JWH145 1 1 1 1 1 1 1 1 1 1 87021 91844 89465 87579 92060 99571 82962 82478 81609 83024 93025 113393 76750 102223 81733 81658 80410 91325 80882 69542 1 1 1 1 1 1 JWH213 31242 31106 62434 1 25621 30455 41006 42840 22981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Kalbreclasine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182784 75297 1 94594 69503 1 Kanokoside D Esi-15.083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357392 280925 274758 261436 266114 204476 Kanokoside D 405614 374059 543944 1 322191 527851 1 396845 256967 241619 272433 1 407492 320841 310019 407122 1 252720 216425 372044 1 1 1 1 1 1 1 1 1 1 1 371649 473295 181525 1 1 Kansuinine B 194606 153988 160214 278925 295335 49019 141653 90383 1 136545 1 1 1 1 1 1 1 1 1 1 36223 144523 72252 75991 83865 98027 90193 50896 93369 43517 1 1 1 1 1 1 Kanzonol R 1 1 1 1 1 1 1 1 1 1 108442 81644 108838 104186 71246 77982 86853 83658 88845 99254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) 630736 500167 538608 501654 756454 275267 432716 369987 639221 112214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ketanserin 54023 68976 66471 63843 55456 1 56737 56255 64414 62015 77387 88374 69226 68214 70052 80942 74028 67904 73819 78640 62990 55509 77199 70242 1 58399 71143 72298 46833 72590 1 1 1 1 1 1 Ketanserinol 81303 93747 41269 1 39919 25476 1 78542 81085 83299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ketoconazole 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24425 1 39695 1 63078 1 Ketoconazole Metabolite (2,3-Piperazinedione, 1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethy 1 1 1 1 1 1 1 1 1 1 379200 6918 242878 150453 62342 278794 282587 2723 4035 93023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ketoleucine 1.68E+07 3394014 8654388 4927053 8293111 4676867 1.58E+07 2880020 1.01E+07 1.22E+07 5373328 2.03E+07 7351510 1695293 8298554 9344741 6780034 1.02E+07 1.68E+07 7902682 4274559 2.51E+07 2.35E+07 1059523 3.86E+07 1.50E+07 1.64E+07 5687886 2.91E+07 4956502 7965146 8734141 9615858 9742601 8244649 1.37E+07 Ketoleucine Esi-4.723999 2887433 908433 1244442 517467 775231 1015132 3472744 1430875 2125506 1914644 1 1 1 1 1 1 1 1 1 1 872898 7902730 3900077 633726 8946339 6333413 550859 1113139 3175251 928681 1 1 1 1 1 1 ketophenylbutazone 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482111 205660 5639 134146 137781 58923 39308 226588 1 1 1 1 1 1 Ketospirilloxanthin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230208 68405 174352 185666 271708 283343 275902 204814 263550 225280 1 1 1 1 1 1 Khelmarin D 446904 196189 412666 376223 210892 242373 287906 225998 188917 217520 130972 103612 151983 154544 190489 80309 124928 167044 139553 94428 126696 130960 360971 178480 165733 113009 184135 114773 114277 155456 349308 227975 203336 174041 185905 195730 Kikkanol A Esi-11.870001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268419 151072 93882 1 179847 243396 1 1 39910 222536 1 1 1 1 1 1 Kikkanol A 449146 470435 33717 111111 113665 28873 169280 63908 106926 17590 92469 148612 62662 222987 96759 110610 400843 79434 504122 213550 94811 441793 56393 94893 307470 186910 94971 58071 129263 87382 188092 117366 213876 186102 164439 192702 Kiwiionoside 105529 1 101437 106304 131071 55804 69666 15686 9074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Kni 102 Esi-14.574 1 1 1 1 1 1 1 1 1 1 243402 140413 200278 159660 95641 73681 217402 136556 180974 62412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Kni 102 Esi-17.123 1 1 1 1 1 1 4864360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Kni 102 Esi-14.021692 371518 416541 127157 558885 386203 381567 480533 469499 544491 307601 953043 505834 436289 454340 574087 690657 641221 462429 489489 727705 1 1 1 1 1 1 1 1 1 1 614862 517177 569727 535536 473734 584902 Kni 102 Esi-14.802616 578810 361004 706511 474034 812891 252923 561911 411829 538441 311721 1 1 1 1 1 1 1 1 1 1 399397 294141 285666 655202 429243 515381 429811 351462 738282 170812 523240 412302 504348 473558 463495 487933 Kni 102 Esi-13.425002 178399 321652 395889 76624 411289 77096 216066 149614 309184 107927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87728 66426 216077 216582 333641 246103 Kni 102 3725155 1005531 3586569 1798361 2821767 2113295 1 821035 1698483 1553941 1498969 757662 1199983 1282652 1172591 1345355 683353 443567 742897 822591 1061955 763094 957790 814829 729649 1019479 765862 558859 693229 613561 1 1 1 1 1 1 Kukoamine D 1 1 1 1 1 1 1 1 1 1 534659 266823 470717 273401 365454 352895 290928 232139 233881 130544 351596 175542 435728 287961 273370 307583 269796 245515 276611 267070 236730 146963 253049 286577 291523 300270 Kurilensoside J 177172 75506 153113 191530 148660 210895 138671 174133 84690 66902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161110 170427 1 1 25405 45338 Kurziflavolactone D 117047 35245 116421 92586 82033 114145 92686 60393 50195 40911 1 1 1 1 1 1 1 1 1 1 21534 21029 64094 41709 28715 20342 15349 22612 16258 17578 1 1 1 1 1 1 Kuwanol E Esi-15.122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432863 1 396411 1 1 Kuwanon R 115768 101942 36360 198870 1 128944 84191 156311 136946 97721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Kuwanon R Esi-13.948922 1 1 1 1 1 1 1 1 1 1 191596 237079 85848 263097 243591 109968 327024 230401 83278 258707 226533 203387 78561 183235 175079 350260 255402 138329 181691 140544 127339 93216 74079 96477 111033 116084 Kuwanone H 289299 336103 550179 191979 591052 148132 199534 190463 250019 313900 328559 518489 377593 413905 376924 462534 301519 316877 386189 269544 308038 452270 346530 309279 426463 322616 147151 271370 357239 92390 145307 117025 433234 330759 302968 538489 L-902,688 61989 97688 121832 83299 54450 1 61387 83177 75484 53406 54754 49056 76618 121560 83808 95777 49157 66009 64347 69727 26520 46707 1 1 67124 68505 74581 51720 72339 57970 84277 83152 77639 79130 76107 78222 Labetalol Metabolite (b-D-Glucopyranosiduronic acid, 1-[3-(aminocarbonyl)-4-hydroxyphenyl]-2-[(1-met 25915 1 44388 1 1 28109 23084 1 17716 1 35705 8387 23436 42962 50175 17406 10517 1 17945 28306 28958 15662 44727 16400 30105 19300 8733 13838 13215 19302 1 1 1 1 1 1 Lablaboside F 61314 131737 318105 220293 362340 310589 214955 244990 219749 140585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 LacCer(d18:0/26:1) 1 29650 1 1 7114 1 1 11791 42784 90455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lacinilene C 7-methyl ether 447463 486482 467225 460399 328275 403522 531416 318994 362425 480182 469554 421936 269747 313551 339603 327738 458554 585089 500643 434182 477315 452378 531639 380652 535653 474720 592939 411732 350358 207146 393275 513418 400051 413246 473398 218068 Lacto-N-fucoheptaose 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105025 88628 35097 23455 26827 26236 Lanceotoxin A 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100183 1 112130 95129 63744 77761 60822 43453 60475 52366 91173 57735 80663 97889 98117 74135 Lansioside A 145461 1 124372 262690 1 51215 239135 58310 145227 1 166242 74503 1 25661 93335 132620 1 1 1 76860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lansoprazole Esi-0.84076947 1 125537 9896 1 41452 1 134856 69789 88590 1 94383 165836 177044 119902 112997 65092 165679 178346 129644 191555 189052 92162 124738 53434 181301 145118 207285 112554 186107 118052 1 1 1 1 1 1 Lansoprazole 134833 321169 359786 80729 145844 243090 157741 228370 445110 252913 242276 163853 404441 156116 299382 255963 292209 310529 162312 146094 10548 281952 55854 229728 341588 257652 35942 205522 354083 317093 256543 244366 257074 263403 255601 259798 Lappaconitine 1 1 1 1 1 1 1 1 1 1 218253 149463 244398 176167 213830 241425 153170 111798 170972 164614 1 1 1 1 1 1 1 1 1 1 555327 256430 192331 184459 185733 1 L-Arogenate 1 58967 93011 37060 46853 53277 13221 64683 81623 12604 1 1 1 1 1 1 1 1 1 1 28525 33109 23333 64454 62540 70356 23503 30267 17465 1 1 1 1 1 1 1 L-Ascorbic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10314 175484 73948 119069 50584 158468 125542 1 1 1 1 1 1 Laserpitin 1 1 1 1 1 1 1 1 1 1 1 46966 1 1 9815 83769 1 1 1 1 1 57736 69822 1 1 1 1 1 1 13142 1 1 1 1 1 1 Lasiodine A 1 1 1 1 1 1 1 1 1 1 143690 104109 135063 116767 162683 81731 124395 112506 125227 91182 1 1 1 1 1 1 1 1 1 1 110735 99724 103343 104539 91977 95161 Latanoprost (free acid)-d4 Esi-18.924002 1 1 1 1 1 1 1 1 1 1 22833 48173 20315 23262 25983 244809 26745 20318 15473 34560 25041 25981 93883 13257 13434 32944 14137 19044 24997 34265 1 1 1 1 1 1 Latanoprost (free acid)-d4 38275 28394 53312 60429 61212 56064 81185 35846 47099 29792 41589 47069 50335 37028 31736 57033 49924 46905 49964 21596 368908 165946 56687 24381 52729 21844 57266 41954 33948 27493 1 1 1 1 1 1 Latanoprost-d4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51089 113040 152167 137234 99249 83407 64764 103625 82678 78086 1 1 1 1 1 1 Latrunculin A 312888 53516 296450 225286 217490 224456 184544 135133 78876 78502 1 1 1 1 1 1 1 1 1 1 1 14886 1 65370 23381 45870 28770 36279 1 24009 196065 191627 50427 32144 1 22443 Laurencione diacetate 74449 58613 68780 56802 48375 96489 59150 74546 1 92753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77638 70609 78638 71410 71136 65388 Lauryl hydrogen sulfate Esi-22.029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5307 80724 1 1 1 1 3985 24995 1 23055 1 1 1 1 1 1 Lauryl hydrogen sulfate Esi-21.017363 1 157750 9090 1 1 1 1 56311 104412 1 1 1 1 1 1 1 1 1 1 1 1 20405 1 6789 2802 25890 68843 24081 3010 1 1 1 1 1 1 1 Lauryl hydrogen sulfate Esi-21.026402 1 71437 1 1 1 1 1 63154 104881 1 1 1 1 1 1 1 1 1 1 1 1 162284 1 1 1 1 1 1 4117 1 1 1 1 1 1 1 Lauryl hydrogen sulfate Esi-20.184002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166128 572275 1165337 378214 899712 1077606 1288448 467198 14463 1056962 1 1 1 1 1 1 Lauryl hydrogen sulfate Esi-23.736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402323 856737 1341536 1374414 1505131 1671558 Lauryl hydrogen sulfate 699937 868565 753804 396821 731935 666895 679508 483029 823768 977429 714529 908725 1381778 986499 812599 974002 843582 851111 864659 1146803 1746616 1141218 1809828 312403 906432 1020561 1034000 1080468 491088 836051 291997 939862 1401929 690102 1547089 1744043 Lauryl hydrogen sulfate Esi-20.359999 1119319 657698 786874 1007543 1190127 999164 1066165 818386 544216 1 993189 753920 682946 989218 759338 723679 850594 773380 1069770 1048838 1 1 1 1 1 1 1 1 1 1 819743 1111432 1004914 134854 1126449 294115 L-Cyclo(alanylglycyl) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42864 105785 75335 27730 44594 55398 69928 55245 55419 1 1 1 1 1 1 Leflunomide Esi-3.274 1 1 1 1 1 1 1 1 1 1 307968 62810 97921 143526 48672 35528 1 1 92972 17014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Leoidin Dimethyl Ether 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595716 79646 92978 276531 651022 1 1 1 1 1 1 Leonoside B 1 28070 1 100982 1 168777 215255 299621 121416 147802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115963 169829 7883 1 1 1 Lesquerolic acid 43219 26735 59122 16878 355236 48548 274759 34458 70779 103318 159357 204260 110861 129095 123819 116142 84646 191810 76104 137306 162136 60496 107041 151344 45048 141588 128472 77473 208051 33477 234730 294653 85944 65125 110091 89437 Lesquerolic acid Esi-18.764057 1 1 1 1 1 1 1 1 1 1 42299 31003 31767 39268 1 34804 27815 40874 21256 35409 31618 39073 129374 33389 28664 26108 23796 49647 10420 32431 1 1 1 1 1 1 Lesquerolic acid Esi-18.919157 1 1 1 1 1 1 1 1 1 1 57341 51554 53680 36509 44786 22614 49517 30780 22464 39624 47965 38701 129858 27942 32169 50622 30747 27429 26580 32732 98992 28058 38905 44442 35573 39052 Leu Asp 50643 36106 69111 47423 154673 88557 45582 53461 49205 53791 52368 49290 63848 32991 138202 189372 25219 33613 181463 105093 60751 186581 65835 1 41409 40153 17571 159137 81693 31552 46741 73269 1 17746 57378 50060 Leu Cys Tyr 1 109796 1 1 1 1 1 58006 46866 90075 99160 188326 115576 151716 117310 106421 139376 178182 112596 138378 139730 196096 263378 196048 175354 137900 130314 166710 137987 141089 1 30935 130234 195021 172616 181617 Leu Gln Val 389608 287685 73498 164585 94369 230450 153171 120240 125400 107362 75183 88129 85816 30425 107175 64450 75468 72636 98942 76677 27269 36369 128865 60198 96917 32534 151898 44903 39623 40181 125940 147770 59462 199112 55221 136932 Leu Glu Gln 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93210 79355 91775 89301 80511 92295 93187 94858 85684 88614 87075 63998 102121 96961 84825 85586 Leu His Asn 37647 126150 175964 41451 43643 29824 56517 173770 93716 138334 27926 83037 86599 172172 136611 125149 88127 99176 90604 153934 18092 71187 293820 106583 109281 113042 137598 27932 177192 60398 133131 125821 132557 141946 129619 137597 Leu His Asn Esi-0.652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33116 1 1 1 6554 1 1 1 1 1 1 1 1 1 Leu Ile Gln 940978 509570 1149824 745768 1051121 905919 798442 551362 594900 628449 753095 824427 865549 743625 676707 804814 777012 797071 684121 725332 838518 757592 730926 906823 737921 763769 666990 679708 656265 656305 1 1 1 1 1 1 Leu Lys Ser 245506 222863 413932 255580 285933 356422 282268 334953 219117 309957 1 1 1 1 1 1 1 1 1 1 49731 16643 150658 169845 103812 100173 51852 79771 36291 46224 104903 113421 60489 88493 90886 43004 Leucadenone D 1 1 1 1 1 1 1 1 1 1 1464524 1096814 823665 1365391 1933751 1358652 821595 1411185 1936712 1716393 1466435 1425275 1882601 1794268 1648370 1720956 1745633 1343257 1556984 1386034 1 1 1735465 1720906 1857867 850891 Leukotriene B4-3-aminopropylamide Esi-17.563002 45143 120831 155646 247685 148930 282271 46537 120634 60741 66774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Leukotriene B4-3-aminopropylamide Esi-12.382003 84520 145415 130684 129597 165679 143486 122156 147081 158915 144278 165869 131176 155478 131959 244073 233134 130140 195184 112904 167250 1 182948 217311 1 1 30534 1 16273 1 196008 1 1 1 1 1 1 Leukotriene B4-3-aminopropylamide Esi-11.867218 128359 82525 146700 217158 313688 261312 294492 76899 87922 169189 256231 157610 295873 107482 109529 321857 139250 89773 104066 221739 160385 183151 204931 227016 121747 180526 130665 147412 152613 250093 122642 123617 164079 109650 122775 97427 Leukotriene B4-3-aminopropylamide Esi-13.529001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104683 4180779 634041 483116 235805 275876 151023 898161 277157 1525345 1 1 1 1 1 1 Leukotriene B4-3-aminopropylamide Esi-11.71 1 1 1 1 1 1 1 1 1 1 32969 83485 1 6455 23022 147123 1 18553 1 1 1 104693 155028 1 19717 18091 1 27697 1 41717 1 1 1 1 1 1 Leukotriene B4-3-aminopropylamide 17342 17465 1 45112 298331 87252 15907 119268 3656 1 122047 302459 17974 68097 134417 291528 2438 114459 28105 28759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Leukotriene B4-3-aminopropylamide Esi-13.5269985 15978 17465 11317 27405 132397 49385 15907 120355 14498 74925 1 1 1 1 1 1 1 1 1 1 18758 130485 63329 30155 20075 20978 25415 95638 22785 128460 1 1 1 1 1 1 Leukotriene B4-3-aminopropylamide Esi-13.272002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 977164 764006 18331 27570 28778 36566 235075 30756 55565 108824 132315 149939 155843 149800 116316 Leukotriene B4-3-aminopropylamide Esi-11.704637 13403 1 25112 88911 248551 69651 24755 15436 1 25337 198754 570080 87889 118139 173745 1059013 47477 153000 10952 1 36039 102913 224601 39908 17597 26330 29066 178394 11940 27805 197534 176250 219577 218507 227637 233173 Leukotriene B4-3-aminopropylamide Esi-11.701998 21145 15792 53057 30549 70894 95210 36507 21822 12226 35170 1 1 1 1 1 1 1 1 1 1 35652 731398 1051568 39271 17597 25456 29066 178394 11940 240759 1 1 1 1 1 1 Leukotriene D4 methyl ester Esi-13.571001 1 1 1 1 1 1 1 1 1 1 12832 62296 28717 54056 77959 100279 38918 30278 72616 110983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Leukotriene D4 methyl ester 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261688 118617 35798 236597 93292 20276 322713 79170 47583 56871 12513 225730 49566 15730 82924 13309 Leukotriene D4-d5 Esi-14.724852 427515 312873 616844 286229 1146748 460559 232794 277670 415993 220413 1 1 1 1 1 1 1 1 1 1 362043 328084 446767 470067 306623 360074 338828 334428 366155 202771 428930 504241 423019 441032 376206 414069 Leukotriene D4-d5 8822553 8212381 1.79E+07 8055194 9471466 4156073 6411925 3447475 6822895 4756475 1.24E+07 8809784 4162534 8974168 8417641 1.08E+07 8875254 7062288 9695890 9307963 8130041 6369613 1.57E+07 1.31E+07 9805389 9723536 7683492 7396458 8121416 5837059 4588585 7733054 1.13E+07 5891691 1.08E+07 1.07E+07 Leukotriene E4-d5 105990 71133 92551 61842 60077 92529 75811 94627 39725 97279 92335 37702 203170 71287 108609 69119 64057 71032 60718 41620 105295 52649 127881 48025 62513 38685 75452 70925 57229 51693 1 1 1 1 1 1 Leukotriene F4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326478 1 380965 301128 452000 1 213456 216355 197265 1 1 1 1 1 1 L-Glyceric acid 200599 254682 180383 277770 247704 267591 356087 171967 186515 297400 373012 353756 326335 145070 194080 160187 1 352519 326958 373810 346924 120666 360647 232899 234699 208487 271849 291415 320553 264981 286583 351689 112159 333332 385058 378889 Linoleyl arachidonate 52624 21146 63680 48497 78109 41911 69704 36253 36792 33925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lipoxin C4 7717114 2416215 7285522 6124137 6632793 5386799 4529303 3370081 2747633 44212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lipoxin C4 Esi-16.969027 882944 1 1 1664329 2471163 3888761 3011687 4560816 1 1417502 3992441 3023293 3942697 3418845 3536458 4137362 2913877 2590058 2693246 3090640 3565316 2396896 3043525 2801121 2857661 3065004 2711655 2294597 2572992 2422011 1.07E+07 3967583 3674853 3351740 3269212 3350345 Lipoxin C4 Esi-14.362997 1 1761927 2530962 2388659 736175 552195 2647640 447007 1 2425779 1786378 1867816 2541623 2127173 2035317 2233437 2507883 2163918 2650588 1982227 1 1 1 1 1 1 1 1 1 1 118923 1335190 2458792 1 2196053 1 Lipoxin C4 Esi-14.214115 439197 142823 165701 3593549 328492 271251 288893 389353 118090 2729864 127336 269362 584673 268598 517813 419318 500706 412642 2704527 190534 464267 379633 235921 422905 403185 146196 2072730 170714 409553 2090106 423576 257194 109286 81772 401498 408455 Liriodenine 77069 1 204902 187785 155735 226781 124943 129220 5155 170326 166360 1 144239 122328 39491 134363 275563 41625 1 194274 137907 1 207314 34817 8513 1 116764 39758 1 1 122967 86762 58550 62876 117417 148387 Liriodenine Esi-1.872 77069 1 14092 38901 120106 9698 42787 129220 4548 170326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 L-Isoleucine Esi-0.98600006 101197 118467 162612 84180 69870 97912 92343 26813 363737 806644 176177 30926 91512 68472 120390 71070 96344 154909 128668 63290 1 1 1 1 1 1 1 1 1 1 93232 432853 120370 1 73382 96228 L-Isoleucine 363984 327196 312881 336784 436151 359981 332398 372844 363737 148775 465323 289648 452225 390004 311359 322944 426303 391586 319918 154280 81270 262367 459488 371331 264157 215828 287008 193034 188629 383530 366468 131865 74658 120599 428170 201579 Lisuride 161566 213745 167654 74419 164264 165227 161854 98376 150066 161447 262970 150937 264004 178460 143856 189849 22395 155297 146325 185009 318236 201010 313960 63211 168666 156297 193564 190285 97651 135609 126820 133184 200512 102833 257995 262332 Lithocholic acid taurine conjugate Esi-13.262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360547 259340 398728 1 1 1 Lithocholic acid taurine conjugate Esi-15.662999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108886 103749 53586 1 1 1 1 1 1 1 1 1 1 Lithocholic acid taurine conjugate Esi-13.403336 227354 358957 542381 303745 228533 599499 411145 181343 423805 759560 335458 285606 399706 478787 287372 449899 269869 197928 275083 355140 160629 204258 598525 496086 327678 278770 277691 339217 415185 246210 1 1 1 1 1 1 Lithocholic acid taurine conjugate Esi-13.663893 1935896 1066830 1542802 988929 256305 580505 1532071 1165359 1276066 461786 1029306 897178 2107569 1858077 1201360 1736893 2026630 714769 1856152 1058847 2301585 775015 3338251 3431430 920910 1694051 716397 1847284 1132206 400243 807702 574318 1163840 1104354 1200143 1193686 Lithocholic acid taurine conjugate Esi-13.664846 1681052 1035974 1542802 987303 1980931 634093 1532688 1155457 1276090 958968 1 1 1 1 1 1 1 1 1 1 2269805 2077632 598525 517544 161688 308620 1084134 1859990 1132204 455672 619236 574318 1158808 1104354 1336803 203101 Lithocholic acid taurine conjugate 1733148 1346312 411704 451302 1740708 86453 1536968 728648 1349770 141084 1736008 1495385 1234780 1780869 2294148 1791871 2015590 1489657 1810100 1335660 2301683 1260018 3340340 3407324 1246253 1769900 1168777 889597 1384422 440610 649247 574318 1622878 754416 1241273 783413 Lividomycin B Esi-13.670999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253936 265314 326857 280178 294134 251485 1 224391 1 79846 1 1 1 1 1 1 Lividomycin B 1826280 1313302 1441500 2022731 1093071 2462772 1862396 707055 1282314 893960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lividomycin B Esi-15.033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2954541 200453 764192 1153808 1916184 9193 Lividomycin B Esi-15.012224 1327242 887595 1573061 2130529 1690274 1028028 1386776 692385 712299 1011286 1191305 1174493 979219 1153398 1193662 715069 1163231 1286804 1020663 1336271 1563454 1073739 2842853 497343 671277 1380708 556738 1509240 539259 1599652 3007670 1450517 702522 1549601 2002753 562117 Lividomycin B Esi-14.844177 636561 519897 474123 530143 442366 456157 583003 482038 441954 384565 580757 699475 872346 1 470254 554606 1 673358 682020 353333 748744 657987 432886 709625 345021 773486 831268 486288 545257 472136 1169953 652753 635590 893145 913864 531598 Lochnericine 4531 21789 65609 81221 354969 1 80519 1 74302 1 59163 61185 18330 12990 42802 184645 76238 1 5526 496706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Loganin pentaacetate 315702 44059 295981 257976 205102 303457 166775 101598 69389 37712 59456 43631 48439 34316 18595 19692 31845 43532 38772 26076 47771 21899 78523 53218 40060 39212 31191 38484 31052 31132 230402 168908 48899 39444 46740 33284 Losartan N2-glucuronide 78058 1 75152 81290 92577 126266 74175 39805 19292 48820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76770 63328 22879 1 16418 1 Lovastatin acid (Mevinolinic acid) Esi-19.048666 1 1 1 1 1 1 1 1 1 1 345446 190673 234300 327247 283645 153049 366360 181997 112108 350959 1 467436 565183 1 250043 1 309566 1 167027 1 1 1 1 1 1 1 Lovastatin acid (Mevinolinic acid) 1 1 1 1 1 1 1 117383 1 139466 344789 260817 343543 361150 291781 265466 372340 219554 166638 374250 484216 447956 533887 143894 100436 247477 324126 301304 121969 100162 78675 253347 240066 381862 237226 235342 Lovastatin acid (Mevinolinic acid) Esi-19.758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155501 30232 1 1 1 1 1 1 1 1 1 1 1 Lucyoside K 184058 246486 232293 122964 239765 160418 206769 234656 194141 184405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90088 236174 336169 421399 406280 1 Lumiracoxib 53302 32538 34312 36973 12798 37702 1 27455 44612 30096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23807 34759 43282 33843 41329 30636 Lupalbigenin 1 1 1 1 1 1 1 1 1 1 2248025 2221823 1809557 2771708 1331537 2131821 2065324 2176471 1528799 1358623 2612521 1384337 2816703 3307500 2124967 1942333 1522137 1505815 1263416 1065001 1 214570 2610777 2971788 3019299 3002792 Lupiwighteone hydrate 7-glucoside 197570 98140 155900 165753 110067 142362 132502 112921 105623 148064 119193 56155 97636 91483 115458 53116 79047 107133 106270 67772 65451 65253 182887 99100 81026 52745 90237 66591 60983 105517 167073 89307 99430 88897 92166 82907 Lupiwighteone hydrate 7-glucoside Esi-0.651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14830 1 30923 1 1903 1 1 7391 1 1 1 1 1 1 1 1 Luteoskyrin 85610 1 102216 82409 90701 72270 69029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117837 27494 1 2807 1 1 Lycoctonine 1 485522 1 1 329044 372407 1 296183 3143936 1 1212409 1218852 880047 997515 872014 1359533 1060282 258411 1071104 1084361 5538378 3797773 5078936 119892 3665280 5362646 333137 153858 4396381 343904 1 1 1 1 1 1 Lycoctonine Esi-14.8099985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3863881 1 2349333 6971304 4321037 1 3991072 2518973 6450800 949583 1 2948732 5613950 1 4912599 5322395 Lycoctonine Esi-14.408003 292335 1 1 747930 737623 1 1 343314 564351 1 1 1 1 1 1 1 1 1 1 1 1063995 474324 1122290 1 1 669463 1 1 1 602752 1 801267 895058 815912 787420 757030 Lycoctonine Esi-14.404003 659501 661558 1027218 447118 1 233784 1 408679 229512 354805 813289 513104 1324251 870427 622825 790857 511246 534072 558679 605368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lycoperdic acid 44208 19121 35130 1 1 58485 1 42535 1 53926 39355 60816 33983 36783 22989 1 1 47013 39544 1 1 1 91527 1 45579 50109 1 1 44526 38750 1 1 1 1 1 1 Lys Ala Ile 230552 348970 262229 362392 151332 284058 152511 329875 255456 241923 183662 125591 190483 348406 291893 186204 205741 173680 209120 139030 114891 104843 533767 438761 247150 149631 220608 103284 124305 105607 399199 381393 332112 282783 328188 309645 Lys Gln Ile 1 1 1 1 1 1 1 1 1 1 72622 1 1 1 1 59056 84165 1 71201 89071 1 61012 198327 1 83769 1 80814 1 1 53918 54031 165665 71278 112512 98023 104240 Lys Gln Lys 21470 1 2101 1267 2891 102087 1728 1 1 2638 12889 1 10253 5230 8166 64656 63261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lys Glu Tyr 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32860 32490 83343 1 30407 31597 26940 38333 1 26151 160160 131384 54770 1 1 33422 Lys Leu Ser 19034 10168 67914 42103 63023 46017 36214 21778 15613 4001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lys Lys Arg Esi-16.804998 1 1 1 1 1 1 1 1 1 1 294844 160286 237195 103222 22822 438831 100801 314751 196993 466275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lys Lys Arg 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313636 1 288389 505711 57244 274775 116445 1 1 1 1 1 1 1 1 Lys Lys Asp 218994 109727 254361 183861 239315 210263 193494 114915 129258 140183 203118 150954 184139 136834 99165 137254 141079 150745 121799 110472 137742 87296 118041 120314 99306 106240 93171 92380 94611 80650 207605 202726 116260 103252 113814 109920 Lys Lys Ser 43005 72097 41112 68296 24640 34199 1 66465 47107 63732 46856 19912 14477 99682 73770 51253 40151 17193 42593 34980 1 20033 111248 85075 42893 41210 49646 1 17108 22738 38491 45586 1 47571 1 47405 Lys Met Asn 1 1 1 1 1 1 1 1 1 1 37486 44751 44147 28993 38465 37141 40915 24769 23892 37678 37089 46137 21083 27160 29949 50394 18862 32831 1 33463 36035 37422 31477 33611 33266 1 Lys Phe Gln 1 1 1 1 1 1 1 1 1 1 36507 2705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lys Phe Thr 528844 95814 639792 391699 544904 486463 396511 166104 137940 98670 163276 127821 153616 108874 89246 108457 122555 101401 105154 104944 157661 1 135393 135799 103305 105820 105688 90770 1 77375 448228 488178 108362 113173 127564 109268 Lys Ser Asp 1 1 1 1 1 1 1 1 1 1 39171 53971 41465 38160 40749 46281 1 42265 37840 47634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lys Thr Asp 1 1 1 1 1 1 1 1 1 1 46851 1 50191 42322 46780 53709 1 53682 59703 61922 51344 53816 53526 55192 54849 52515 30332 55725 58696 54021 48891 42773 34156 63619 51151 44901 Lys Val Val Esi-15.215776 8873604 9236798 1.03E+07 1.03E+07 4033346 7815645 7538341 9139717 6847277 9589431 1.30E+07 6891928 116927 1.19E+07 119370 5142116 8328555 71730 1.03E+07 5502933 5057620 5496432 2.30E+07 1.17E+07 9544669 4982023 8366791 77114 5044232 5737840 9870403 4529420 1.19E+07 1.15E+07 1.19E+07 1.17E+07 Lys Val Val 9172071 9249848 1.03E+07 1.03E+07 4037578 7815645 7502975 9139717 6848294 9589431 1.11E+07 6178967 8628665 1.03E+07 1.06E+07 4486787 8065578 8513316 9135049 5106139 5166072 5355086 2.30E+07 1.17E+07 9859498 5104489 8590371 5268520 5041610 5734513 8709208 4010407 1.01E+07 1.01E+07 9963843 9826498 LysoPE(0:0/16:0) Esi-14.242223 2906555 2921640 4364770 1544000 2535865 1299090 1938551 2165668 3244393 885043 4331251 2748556 4220773 2945311 2345389 4898784 1386951 1263552 2240088 3071612 3068429 2806624 3818445 2883317 1963642 3193273 1843041 1968610 2666965 2139360 2884943 3009428 3314426 3191393 3250994 3116930 LysoPE(0:0/16:0) 1.24E+07 1.24E+07 2.07E+07 9396436 1.63E+07 7617137 9867116 1.11E+07 1.53E+07 5667809 2.01E+07 1.45E+07 2.08E+07 1.58E+07 1.42E+07 2.03E+07 1.01E+07 1.02E+07 1.25E+07 1.48E+07 1.60E+07 1.36E+07 1.95E+07 8522370 1.23E+07 1.60E+07 1.17E+07 1.24E+07 1.42E+07 1.36E+07 1.34E+07 1.40E+07 1.63E+07 1.54E+07 1.60E+07 1.60E+07 LysoPE(0:0/18:0) Esi-14.043 2572054 1875019 1 3297010 1 1 54620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 LysoPE(0:0/18:0) 1164597 748081 1164240 689867 1215460 831941 933974 603042 975892 565941 1359924 1100781 1138506 1341278 855314 1377781 964478 854065 1132677 1103449 1029249 987218 927203 496231 916875 1121376 747613 713926 864725 705990 1327365 1032339 1209855 1241872 1334424 996596 LysoPE(18:1(11Z)/0:0) 1.77E+07 1.50E+07 2.46E+07 1.43E+07 4.69E+07 1.48E+07 2.08E+07 6224878 1.86E+07 4307877 1.51E+07 1.12E+07 1.04E+07 1.45E+07 1.04E+07 3.08E+07 1.28E+07 1.01E+07 9861790 2.23E+07 1.43E+07 1.37E+07 1.73E+07 1.78E+07 1.16E+07 1.78E+07 1.10E+07 1.15E+07 1.43E+07 8165313 1.66E+07 1.62E+07 1.71E+07 1.66E+07 1.63E+07 1.05E+07 LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0) Esi-14.047751 1 159906 1 1 607949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.48E+07 3.79E+07 4.97E+07 4.72E+07 3.84E+07 4.42E+07 LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0) 1 2.43E+07 2.86E+07 1 2.77E+07 1.43E+07 2.52E+07 1.73E+07 2.37E+07 1.41E+07 3.34E+07 2.95E+07 1.67E+07 3.18E+07 2.86E+07 4.15E+07 3.04E+07 3.04E+07 3.08E+07 3.22E+07 2.70E+07 2.55E+07 4.21E+07 2.84E+07 3.33E+07 3.12E+07 2.81E+07 2.68E+07 1.93E+07 1.64E+07 3.74E+07 2.47E+07 3.62E+07 3.66E+07 2.62E+07 3.56E+07 LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) Esi-14.593262 1 1 1 1 1 1 1 1 1 1 6707016 546192 998798 1 419722 1253130 656629 456099 546995 712149 332504 413655 1 579556 620009 702002 496529 423705 750059 198768 5182653 566907 668444 638180 1 622900 LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 3786377 3501552 7452014 3001014 6785700 1668378 5121045 3562342 5163215 1853117 5621160 3936306 9997315 3357998 3266529 1.17E+07 5960106 3489083 4507531 5015096 3829475 1833419 2319055 6979680 4328685 5728859 4010919 2491050 6456643 496486 3981990 3031609 6214963 5384856 5191899 5558069 LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) Esi-13.987215 1.40E+07 1.38E+07 1.06E+07 1.73E+07 9656250 6756828 9844474 1.07E+07 1.56E+07 9045274 1.40E+07 1.76E+07 1.21E+07 1.16E+07 8589174 1.13E+07 1.09E+07 1.26E+07 1.08E+07 1.14E+07 1.19E+07 1.49E+07 1.01E+07 1.02E+07 1.20E+07 1.29E+07 9294668 1.46E+07 1.09E+07 5913370 2.26E+07 1.20E+07 1.25E+07 1.29E+07 1.22E+07 1.08E+07 LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) 5.78E+07 4.88E+07 5.29E+07 3.85E+07 1.90E+07 4.09E+07 4.18E+07 3.75E+07 5.10E+07 3.82E+07 4.92E+07 5.69E+07 5.46E+07 4.65E+07 3.75E+07 4.37E+07 4.30E+07 4.83E+07 4.94E+07 4.32E+07 4.66E+07 4.75E+07 4.46E+07 4.29E+07 4.58E+07 3.43E+07 3.96E+07 4.86E+07 4.37E+07 3.89E+07 4.96E+07 4.93E+07 4.72E+07 4.59E+07 4.16E+07 4.62E+07 M(IP)2C(d18:0/16:0) 342766 252594 324489 357149 301260 360997 384195 349568 304795 220308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247696 90326 227792 178139 185938 177302 M(IP)2C(d18:0/16:0) Esi-15.441 1 1 1 1 1 1 1 1 1 1 235425 260653 259926 256725 162400 293140 227155 203129 211506 238306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Macaflavone II 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264710 308183 353646 326817 Machaerol C 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60507 531151 1 72352 51196 121085 65585 57641 88109 1 1 1 1 1 1 Macrocarpal C 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43241 94112 49613 129442 137050 139681 Magnesium protoporphyrin monomethyl ester 344485 347131 72387 443432 111314 548917 139332 258253 367883 230377 429724 239103 414791 369156 284597 321604 365696 349615 390844 403350 448815 310068 270215 340234 350372 357408 243833 312304 355297 382297 400615 485881 451462 287369 329173 272374 MAHMA NONOate 1 1 1 1 1 1 1 1 1 1 1 1 19492 19877 52593 63146 1 1 7030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 makisterone B 209648 427409 449322 218551 180204 155640 425154 346732 424282 442925 647907 534937 668381 542214 475018 566220 507471 496329 505841 607469 1 1 1 1 1 1 1 1 1 1 240454 375924 602940 297499 625638 625182 makisterone B Esi-14.750736 29984 121966 1 1 37264 31981 14566 32184 104471 1 50748 96752 52020 64062 49507 83886 18932 45891 55345 60703 1 1 1 1 1 1 1 1 1 1 25694 65665 94365 110615 144589 109901 Malyngamide L 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87692 293820 431324 116086 104352 23856 70452 61160 170493 18103 1 1 1 1 1 1 Mangostinone 1 1 1 1 1 1 1 1 1 1 1 1 1.96E+07 1 1 2.01E+07 1 3.17E+07 1 1 1.70E+07 1.81E+07 3.02E+07 3.27E+07 1.88E+07 1 1 1 1.70E+07 1 3.34E+07 3.20E+07 3.19E+07 3.13E+07 3.02E+07 3.06E+07 Marasmene 279497 430583 481965 274928 441839 372257 393514 372719 325384 244826 536591 418118 483197 465750 431469 481146 294403 369643 429933 446292 431578 385200 232846 196612 499846 405693 370818 179241 133116 409465 174055 440217 527567 506509 374032 403889 Marasmene Esi-14.875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291312 342248 232846 302172 398695 405693 398183 190869 316834 409465 1 1 1 1 1 1 Maraviroc 2.08E+07 9997099 1.48E+07 1.50E+07 1.69E+07 1.64E+07 1.64E+07 1.37E+07 1.51E+07 252316 1.38E+07 9746858 1.17E+07 1.19E+07 1.05E+07 1.17E+07 9390104 7945757 8809551 7427690 1.16E+07 8655785 8315406 9728522 8716436 1.11E+07 8807439 7748878 9159865 8156141 1.84E+07 1.54E+07 1.17E+07 1.08E+07 1.12E+07 1.17E+07 Maraviroc Esi-16.530228 8918152 2560923 9241985 1 8389844 1 1 5169793 4138512 1 4389638 1804886 3601094 3762412 3392395 4167670 1804328 1119794 1889100 1846322 3248832 1976360 2214211 1763103 1733458 2858413 1753107 915013 2026104 1752380 1 1 1 1 1 1 Margrapine A 1 1 1 1 1 1 1 1 1 1 37750 1 1 1 58805 15004 1 1 46455 21778 1 1 1 1 1 1 1 1 1 1 1 19707 1 57271 1 51579 Matesaponin 3 1 1 79540 61602 165422 63019 1 42419 42836 96500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Mauritine A 1 730778 1 1 1 1 283101 270365 289627 233372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Mayolene-16 3155 628992 56111 7629 106399 65883 533373 163099 298124 22090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Mayolene-16 Esi-21.803219 1 1 1 1 1 1 1 1 1 1 1 33480 1 14684 107127 51416 5236 99945 294360 326270 355573 256933 280083 312526 263271 390732 12257 185987 327173 6400 1 1 1 1 1 1 Mayolene-16 Esi-16.897999 265433 273213 98441 353779 657006 249976 273757 288227 307280 148122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Maytansine Esi-13.948095 1 424188 1 1 92870 450190 471731 489538 457619 370339 182501 454096 175124 361156 236514 242550 503753 322687 165376 440956 90284 740718 116232 130501 168503 106304 212945 226471 215824 196750 1 336051 255117 468244 267886 247614 Maytansine Esi-13.949999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331219 1 326649 214338 247599 717964 318172 434336 463036 269009 1 1 1 1 1 1 Maytansine 699247 717311 1059924 915765 1678257 648448 804540 730895 470859 748596 336918 496722 348626 336464 403205 640358 480290 555749 429410 542966 527069 852920 815051 349402 486620 679913 381718 461870 821187 824965 635217 578179 551990 259219 633960 667660 Maytansine Esi-14.2845 104222 377000 72003 69061 95010 40585 85738 66013 190858 49546 1 1 1 1 1 1 1 1 1 1 653091 768470 429472 560724 539714 569881 667248 427586 770767 385245 1 1 1 1 1 1 MC-207,110 1 54674 1 14241 130461 1 57386 1 39881 9938 1 1 13733 183053 68432 55116 28701 82366 80051 68744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 m-Chlorophenylbiguanide 420071 544096 360751 529860 428563 60290 314785 423525 516794 393848 398727 575872 625207 511042 473791 591155 325447 516043 534437 525335 598988 261282 613589 653324 676728 764154 395723 68404 180166 1 471463 451881 386020 496848 629011 593123 MCPA-thioethyl 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8530 157184 36281 1 10464 1 2361 11398 1 1 42776 45625 47838 49471 51222 16250 MDL 73492 glucuronide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35047 1 58592 1 34527 14922 28635 1 25534 32766 1 1 1 1 1 1 Mebrofenin 1 1 1 12306 28458 1 1 1 1 1 1 1 14213 1 1 1 7043 1 1 1 1 1 1 53249 1 1 1 59266 1 1 1 1 1 1 1 1 Mecarbinzid 1 1 1 1 1 1 1 1 1 1 83206 198510 147815 214591 210470 128880 132056 168591 148495 91454 114552 47752 53493 1 95792 262834 110380 81551 113661 252762 20098 216881 91541 254900 108304 112167 Mecarphon 83242 41365 132846 78734 53822 77721 76997 46069 19290 116786 1 1 1 1 1 1 1 1 1 1 79670 22032 190755 49076 48952 44196 52668 1 47669 52946 68004 71293 67965 67463 63420 66845 Mechlorethamine 1 1 1 1 1 1 1 1 1 1 195741 225715 1 330512 177993 189612 241660 1 256851 458736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Mefruside 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23561 1 25401 1 21635 Megalomicin B Esi-13.776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64049 65522 83939 1 1 1 Megalomicin B 93695 1 90574 25933 150995 32396 37292 13939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Megalomicin C1 229004 1 292211 171104 229849 158322 175180 206019 282354 163968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Megalomicin C1 Esi-14.65 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208288 226623 1 1 1 1 Megestrol Esi-15.351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17936 12473 64326 37079 13900 22347 27463 21909 1 30672 1 1 1 1 1 1 Megestrol 36991 43371 57154 55140 1 1 1 47140 32885 29788 31289 1 1 59175 33351 30116 1 27944 35862 1 1 1 112141 47814 38478 1 40301 1 1 1 1 1 1 1 1 1 Melilotin 347783 565639 525018 614756 503559 1 806975 171979 649323 1 435766 1 260015 549047 1 310482 1 1 684137 537958 525516 536758 585993 622643 589754 1 577246 524112 358591 410474 1 197615 357144 430502 1 1 Melilotoside C 279020 188875 283949 191408 87769 237931 272753 204717 105765 370731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Melizame Esi-19.399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45453 131418 1 232100 1 Melizame 1 1 1 1 1 1 1 1 1 1 101183 81845 110151 46182 77810 59366 81114 53705 38942 85162 1 1 1 1 1 1 1 1 1 1 1 44342 103064 96247 93170 89682 Melongoside L 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103526 93079 79691 106805 114883 93526 101270 62324 100096 114059 1 1 1 1 1 1 Meloxicam 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73560 140338 1 1 1 1 1 1 1 1 1 1 1 Merphalan 1 1 1 1 1 1 79417 1 71237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Mesoporphyrin IX 1 1 1 1 1 1 1 1 1 1 12087 42968 11236 16510 5471 20928 12630 20784 29955 24185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Met Arg Arg 212940 128867 227848 120453 134457 161014 148528 168475 157255 96523 224550 168274 220461 166021 163116 199054 170498 121930 205736 193782 194751 134517 307200 155045 137772 184675 163112 128302 172186 238020 144873 155155 183628 173923 109849 146746 Met Arg His 22803 22833 1 1 67095 44468 1 1 1 29937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Met Gln Thr 125871 99777 130136 100908 76632 82994 96407 80219 107969 92732 1 1 1 1 1 1 1 1 1 1 87097 95953 131697 116977 97311 78517 93075 78608 83942 82029 106827 96478 101945 110725 112756 112220 Met Glu Trp 209787 1 156766 178552 166593 201131 138791 53542 62063 21093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Met Leu Trp 1 1 1 1 1 1 1 1 1 1 35926 55081 45393 37836 16387 61183 35881 40937 1 36560 1 1 1 1 1 1 1 1 1 1 28624 33017 40655 35737 29518 32614 Met Pro Met 1 80790 49449 45582 110278 95582 83804 133002 51981 68562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Met Tyr Phe Esi-18.509 1 1 1 1 1 1 1 1 1 1 26678 45303 48755 56308 46603 26667 8294 47085 64534 41828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Met Tyr Phe 1 205059 1 1 1 1 1 103635 163574 115232 275936 352014 250205 228887 277227 379446 298917 273438 347867 343260 250356 319136 202679 398710 272610 275071 347065 265764 341154 178838 9838 1 220582 328068 286360 303791 Met-Abu-OH 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19277 7602 1 7292 35563 39234 4998 41011 28456 44547 1 1 1 1 1 1 Metalaxyl-M 143139 137363 1 33132 45801 1 77935 30249 44185 1 28153 56803 30678 68905 34381 34537 114972 25571 193550 72512 43865 166595 21149 39246 96241 63973 33904 23262 53879 23700 65187 57671 67612 73646 68035 70318 Methacrifos 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168172 30238 444347 26046 44967 25227 58334 25267 3164 3968 1 1 1 1 1 1 Methamidophos 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 427213 1007879 891753 701959 1022053 673604 763839 1 951669 747368 1 1 1 1 1 1 Methaphenilene 370040 142506 30213 53529 28402 35237 136997 25381 11691 34352 50766 28063 7699 13221 8841 92386 30655 36336 200638 16244 64100 52575 66463 9004 1 15249 51235 4961 10232 49193 73177 68167 68228 68204 74945 76122 Methional diethyl acetal Esi-9.087999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86366 159170 203455 171047 157489 125333 148549 113750 121363 112277 1 1 1 1 1 1 Methional diethyl acetal 14980 254621 17235 25916 29028 28964 22513 45597 57364 30165 29183 63887 43474 23617 32969 41206 101960 50003 223198 62917 23868 223835 27550 76141 215466 117551 8919 53787 74612 133063 68881 70808 79970 67774 67722 76900 Methionyl butyrate 35011 72992 10041 14892 17415 10958 16380 115442 87694 72416 9600 83603 64291 39478 9916 10209 113498 109193 69838 81520 1 55012 66677 126216 43386 117015 48391 94551 117231 33986 1 1 1 1 1 1 Methionyl-Cysteine 121370 1 34076 155151 197581 230567 180836 175057 98671 117182 1 1 1 1 1 1 1 1 1 1 154910 1 533973 96788 66436 92758 18570 1 1 111192 1 1 1 1 1 1 Methionyl-Methionine 67280 117530 76688 363977 131192 32496 329006 117933 18061 203627 395470 45741 97951 135749 73121 43653 121993 65533 68651 25287 137105 173016 735958 176864 87415 33778 107392 170552 120795 6174 156313 22027 8328 88058 91749 137059 Methiothepin 1 1 1 1 1 1 1 1 1 1 1 22983 15870 136533 32492 33133 53529 165587 89231 135520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Methitural 211185 453233 107074 193890 261281 612884 13181 566973 399052 476403 322036 52407 254908 5141 259436 174610 446167 188871 78992 497128 193579 1010904 284420 206332 387045 164178 204325 208962 172274 68865 105741 371807 206143 155239 6506 236013 Methoprene acid 232937 218383 288594 271918 119853 319590 160582 242963 203881 264718 256894 396469 185678 266061 248861 158896 277890 345031 298703 238839 173363 313768 433390 157357 368623 327269 186098 279983 310473 266904 262788 215599 285795 291695 306062 327665 Methoxybrassenin A 55145 25729 96394 58698 13001 41969 54338 23231 40629 71058 1 1 1 1 1 1 1 1 1 1 38068 1 96974 1 32420 25763 63108 1 26082 1 1 1 1 1 1 1 Methoxychlor 24535 27936 67153 15265 20642 66299 43333 33988 6088 45749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside 671994 658284 801775 664130 264629 447514 460714 613222 536298 675665 772735 445568 299222 680334 706162 354903 472097 521281 251118 345101 386139 380847 1397398 751349 644660 382729 524093 379060 379630 337106 309326 94185 386014 426694 60441 115818 Methyl 3,4,5-trimethoxycinnamate 1 83762 1 1 3324 1 1 31381 44309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1-3)-[glucosyl-(1-6)]-glucosyl] ester 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19507 6111 32477 54249 39233 32573 26840 46324 58983 64399 1 1 1 1 1 1 Methyl 4-chloro-1H-indole-3-acetate Esi-5.3763795 49434 111969 34912 19858 38370 4565 36525 26382 50820 1 37584 91146 28767 32666 4708 58577 22178 6269 116414 74706 10408 56040 3438 42018 39739 54804 23321 1 41602 277356 57261 55561 62013 55295 65906 69630 Methyl 4-chloro-1H-indole-3-acetate 306302 964311 162538 479753 360060 818348 670352 861262 475899 701971 284344 269370 719461 768426 665058 930527 957509 263616 89262 846186 196413 942616 788796 721303 1046698 267682 65542 820183 188611 383920 905876 388526 482467 518270 1056147 671203 Methyl 5-(1-Propynyl)-2-thiophenepropanoate 386466 1 1 216872 356175 220063 349070 48177 111563 74598 1 1 1 1 1 1 1 1 1 1 468765 33681 173377 14458 324249 238855 306440 251079 154612 465615 146394 320189 260500 304287 267683 282521 methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87157 266391 1 1 1 1 1 1 2426 1 1 1 1 1 1 Methyl Arachidonyl Fluorophosphonate 469778 335593 1382482 351508 270760 507083 1147648 134769 247287 957439 521772 374912 1858241 435675 335432 849225 364374 305166 300649 1018682 1292867 1166774 270125 1378139 626303 1050018 1522182 382649 991629 1241939 1177566 1063725 278489 1169338 1092634 356492 Methyl Arachidonyl Fluorophosphonate Esi-9.839999 1 1 1 1 1 1 1 1 1 1 93000 63233 2232945 560243 333408 1075395 61713 446719 599400 1286289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Methyl Arachidonyl Fluorophosphonate Esi-9.5859995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005348 927516 690425 1076190 315943 819742 1216772 306401 784984 993510 1 1 1 1 1 1 Methyl hydrogen fumarate Esi-0.8059999 407716 534128 320202 315786 376245 1 469459 308369 327220 310387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Methyl hydrogen fumarate 403889 426222 320616 340187 490852 295415 469707 253505 326194 297456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Methyl hydrogen fumarate Esi-0.81276923 375278 470882 327055 282691 462145 218161 334190 346110 352930 297131 1 1 1 1 1 1 1 1 1 1 1 124964 1 1 1 45387 141559 1 1 1 1 1 1 1 1 1 Methyl N-methylanthranilate 2727673 2767367 2995637 2729314 2628226 2722398 3268947 2460473 2744554 2707850 2895556 2813383 2790103 2607982 2608736 2543400 2803426 3068560 3048286 2516976 622191 3083266 2850057 1833669 1984432 795297 1040555 776294 513617 724954 2792865 2863716 3012469 2886753 3071744 3075672 Methyl red 1 1 1 1 1 1 1 1 1 1 160722 105185 112568 164751 109661 139322 71822 1 93602 101727 222291 50210 223099 176019 82554 155388 102681 43965 112836 290631 110104 118712 119846 123522 81410 99544 Methyl salicylate O-[rhamnosyl-(1-6)-glucoside] 510459 201829 474254 456702 256348 372325 352819 287685 209674 402103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632686 385675 1 1 1 1 Methylcobalamin 1 1 1 1 1 1 1 1 1 1 407940 98928 71551 160037 147061 71115 125565 899446 677267 145719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Methylergonovine 1048366 759390 1029362 681960 769318 752013 727803 671782 750522 674300 1 1 1 1 1 1 1 1 1 1 1218151 925496 1257589 554798 880179 865706 881328 903036 389365 827942 1 1 1 1 1 1 Methyprylon 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28509 1 1 1 17626 1 1 1 1 17455 1 1 1 1 1 1 Metixene 1 58311 1 1 1 1 1 7033 47785 1 1 102689 24332 24276 43580 1 22782 71354 59263 48075 1 90448 1 28921 131190 69401 1 73490 44788 27269 1 1 1 1 1 1 Metobromuron 1 1 1 1 1 1 1 1 1 1 18715 71383 194724 151006 321996 71545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24154 1 25568 48960 225979 172780 Metominostrobin 102662 38549 89514 68445 101627 1 85628 51829 39075 20960 40303 90486 58893 37228 31872 45794 47003 38793 37289 40024 28586 61007 13671 24010 33650 45738 26898 40053 41168 44324 82465 90097 42090 45794 61871 44021 Mezerein 428778 367044 67358 622207 39184 18855 452352 66144 86104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557903 436292 451748 390087 374740 467495 MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 1 1 1 1 1 1 1 1 1 1 63424 27645 38695 34528 1 1 47782 87091 79809 36242 1 55687 1 1628026 295601 59322 29365 53113 1 1 1 1 124584 126413 124213 122070 MG(18:1(11E)/0:0/0:0)[rac] 448094 175630 379359 446904 656596 509641 534795 367746 313302 405663 464316 487297 576211 371165 310757 430805 436134 548337 280089 372088 498115 397963 546462 353803 306971 425252 351121 457720 476373 130611 403999 730794 449355 412671 398577 389827 MG(18:1(11E)/0:0/0:0)[rac] Esi-20.621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13142 1 293968 51855 9071 6893 7846 1 1 1 1 1 1 1 1 MG(18:2(9Z,12Z)/0:0/0:0)[rac] Esi-19.755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58155 82606 66424 66173 60129 69849 MG(18:2(9Z,12Z)/0:0/0:0)[rac] 39318 14502 1 1 19964 1 16745 50732 23090 1 40474 15226 39572 23837 4930 1 55788 57713 55946 33303 1 33851 1 855868 155885 28739 16247 14982 1 1 1 1 1 1 1 1 MG(22:1(13Z)/0:0/0:0) 41487 31347 369072 100557 1 514366 445325 129761 81871 55150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500867 174491 167800 167458 103243 185144 MGDG(16:0/18:1(9Z)) 1 1 1 1 1 1 1 1 1 1 1 61211 1 1 1 193305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 m-Hydroxydiphenyldimercury(1+) 373622 276416 600828 430580 355352 357300 387682 443220 439753 346082 483421 190918 638018 389598 209251 418263 326456 358938 1 137555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 m-Hydroxydiphenyldimercury(1+) Esi-0.691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13575 7512 31073 77890 14878 30618 88902 36608 35047 55649 1 1 1 1 1 1 Mibefradil Esi-11.611503 239612 88908 279324 174583 165012 66776 179404 126305 115805 97537 217439 44000 264733 171113 247458 138547 95994 81371 81324 92769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Mibefradil Esi-11.61038 239580 88908 279279 174834 165039 66816 179570 126212 115957 97670 1 1 1 1 1 1 1 1 1 1 92728 20017 324981 154262 135748 75865 115468 61384 68976 70423 121532 163374 151243 165764 135598 154143 Mibefradil 396783 435864 1339317 810722 789589 412000 840610 597082 613857 499373 980688 245639 1325281 835237 1211643 721661 562311 380981 504679 446568 478488 254996 1505773 939206 683823 378184 538855 329892 398916 349758 700244 644721 790977 788922 744682 762325 Miconioside A 199104 130211 169852 73715 200169 166890 113634 141824 125050 114138 197445 89657 80127 148123 128534 145746 69722 155883 96648 1 306157 116150 261817 296166 180340 153605 190780 189097 173035 162600 1 1 1 1 1 1 Microcystin LR 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113396 101887 356962 195908 167180 1 132792 1 130783 1 277364 233542 146084 127598 127338 127021 Minabeolide-7 62209 694189 28840 22315 1 8945 41892 26827 183936 31649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Minosaminomycin 1 1 1 1 1 1 1 1 1 1 1 1 1 193321 171616 186350 1 1 60620 164048 178565 1 140092 161266 1 1 1 89001 1 32201 135968 291534 1 1 1 1 Minoxidil-O-glucuronide 1 1 1 1 1 1 1 1 1 1 57733 76466 59420 68089 54273 42546 30005 63027 75836 51129 65052 1 96488 96425 60200 1 1 65722 31090 121193 26573 82265 36337 83680 68455 68193 Mipafox Esi-8.878 1 1 1 1 1 1 1 1 1 1 1 1 1 6233 5575 100696 1 1 4739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Mipafox Esi-8.195 1 1 1 1 1 1 1 1 1 1 122565 160311 107540 119550 125595 89809 135734 146668 104271 114230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Mipafox 149310 122138 136250 126220 84758 197567 106756 144017 152216 149591 1 1 1 1 1 1 1 1 1 1 85863 170966 186943 124203 158339 137493 91964 95516 116801 93193 144005 147829 151341 139103 138254 156801 Mipafox Esi-10.771502 1 1 1 1 1 1 1 1 1 1 40124 87467 29534 28366 35432 451809 47153 43638 46984 44091 1 1 1 1 1 1 1 1 1 1 65046 47777 57965 77735 68393 67293 MIPC(t20:0/18:0(2OH)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169974 265394 224166 196433 161441 250678 MIPC(t20:0/20:0(2OH)) Esi-15.387999 4321954 2894967 4292641 3455367 5317714 3145180 3853460 3456009 4417048 2146410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MIPC(t20:0/20:0(2OH)) 4045270 2893084 4278901 3258246 4522604 3116889 3851490 3449668 4353011 2144321 2779223 2848297 2917467 2981834 2305796 3531791 2562912 2147680 2272429 2885549 2710116 3156682 2039397 2856838 2572315 3066456 2175044 2277328 2972391 1666949 3734908 3673047 2938262 2665788 2797422 2711496 MIPC(t20:0/20:0(2OH)) Esi-15.387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3798568 3599258 2930157 2667965 2729986 2658439 MIPC(t20:0/24:0(2OH)) 584510 1 1 1 1 1 1 1 1 1649034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Misoprostol (free acid) 1 1 1 1 1 1 1 1 1 1 175521 214528 213293 240979 217943 179780 121059 133883 167229 220340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Mitoxantrone dicarboxylic acid 1 1 1 1 1 1 1 1 1 1 105081 80970 72927 78097 50203 65973 76856 72946 55615 52112 73145 57264 96916 85464 58663 55159 28107 66196 39897 28920 184556 112865 73526 59335 71973 61844 Momordicilin 215158 437353 287706 451920 216836 62605 1 403950 383817 68558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21614 38040 3110 1 1 36064 Monocrotaline 298016 306991 314349 318475 344914 361747 358357 577796 418741 315952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Monocrotophos 1 1 1 1 1 1 1 1 1 1 57320 64589 50335 49644 23539 71696 39449 39944 40630 57259 1 1 1 1 1 1 1 1 1 1 66621 70532 54587 56563 59286 43639 Monodeallydihydroxyalmitrine 299261 351826 66317 70598 132590 44141 350073 59278 71218 1 97912 1 64376 18351 1 141652 282246 1 276379 153102 136719 87022 1 1 139956 100439 1 15751 57942 67068 1 84379 141672 140500 114157 138556 Montanin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 887416 1123553 1059570 1203495 1050175 498685 978656 938353 1171424 1006968 1 1 1 1 1 1 Montbretin A 1 1 1 1 1 1 1 1 1 1 1 28598 36474 1 1 1 34198 30038 37519 29531 1 1 1 1 1 1 1 1 1 1 75953 14511 1 19314 31720 31300 Morellin 42874 119522 205228 164446 218915 190893 222956 134286 181343 149367 212555 230157 254221 226841 223008 168368 86317 128212 141164 152019 1 143497 228531 80587 110874 2376 146016 179334 110966 111718 1 1 1 1 1 1 Mosapride 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204919 196475 317582 202305 192200 215518 181196 179007 200199 171212 1 1 1 1 1 1 Moxifloxacin 100876 134902 306001 288758 371780 348405 309824 300086 166522 89152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249587 399536 153247 158125 136305 15741 Mulberrofuran P 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147775 106637 41925 33160 36219 29372 Mulberrofuran S 164878 21188 138241 146373 132483 155228 94326 53921 28993 7243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Mulberrofuran T 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132141 278536 92017 169287 92761 102312 132304 109121 146295 91520 127681 135877 138077 179377 186965 161858 Mupirocin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2079370 925413 606313 8745302 192280 999160 143293 1 1339481 703738 1 1 1 1 1 1 MurAc(oyl-L-Ala-D-?-Glu-L-Lys-D-Ala-D-Ala)-diphospho- undecaprenol 1419124 1103117 1310000 1226644 1690687 1461430 1490623 1217830 1352897 730585 1127700 915121 1129913 1371520 1012963 1414833 1018871 818814 838906 1596935 1191342 1457907 991812 1037677 1028567 1278295 804651 1036297 1219770 684870 1418497 1368568 1236725 1185204 1158294 1135325 Muricatalin 12448 22524 51167 51434 65619 76118 60873 26195 19653 26487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57006 57278 29106 25391 27911 36981 Muricatenol 1 75468 6225 3763 1 1 1 17957 37978 3089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Muricatenol Esi-20.944998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6943 90053 1 13040 2932 16565 1 4773 12128 1 1 1 1 1 1 1 Musca-aurin-I 1 1 39326 1 1 1 1 1790 1 73536 1 1 1 1 1 1 1 1 1 1 264331 1 1 1 1 1 1 1 1 1 38542 106187 137986 118858 88327 99676 MY-5445 55130 27597 63329 40948 63230 43876 63203 31581 45103 58186 51228 45955 54478 49276 65081 72110 48164 47090 54175 70850 69711 1 58226 55475 71669 77680 56878 43056 76781 60790 83676 78008 76150 78526 75393 79748 Mycalamide B 217197 172276 36745 265331 184691 82369 178225 107843 173503 103860 312998 266782 204356 289226 239710 254667 256562 151547 233262 233681 213829 252974 199541 207173 254022 280986 201868 210658 180102 108780 298239 103750 254228 264813 220956 281777 Mycalolide B 178150 1 1 1 1 1 134361 75526 103473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Mycolipanolic acid (C27) 34961 82667 37482 49611 59116 39671 42396 54529 77683 54746 48520 64712 46196 48167 44845 60084 61984 63929 51786 68598 54107 99184 41120 63076 62592 68708 43292 57240 80219 50303 32900 35765 47049 42032 37714 43300 Myricanol 5-(6-galloylglucoside) Esi-5.625 14286 5033 10370 17580 44681 14036 22930 1 10688 6361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Myricanol 5-(6-galloylglucoside) 412577 241250 388677 373666 373379 180914 325319 270080 175306 236140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Myricanol 5-beta-sophoroside 217767 214790 235523 262686 182809 1 180998 166568 148073 116330 1 1 1 1 1 1 1 1 1 1 69133 128638 115849 51763 131626 64292 126462 49329 111062 1 1 1 1 1 1 1 Myricanol 5-beta-sophoroside Esi-14.362578 213648 99869 235523 262686 1 1 181826 155997 148073 60243 230481 211977 141931 126320 1 1 146759 201488 150783 126623 57892 139527 115849 194465 161244 58792 106006 54638 100292 1 66800 235098 86094 80023 95639 105099 Myristoleyl linoleate Esi-19.116375 1 1 1 1 1 1 1 1 1 1 38871 45864 36042 36697 22096 28544 34552 37876 28544 31950 1 1 1 1 1 1 1 1 1 1 78151 56914 48458 35133 51408 44220 Myristoleyl linoleate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486656 453646 553095 153839 698465 387722 202621 59026 332485 1 1 1 1 1 1 Myxochelin B 1 1 1 1 1 1 1 1 1 1 58942 1 54103 54516 49866 1 50388 1 21602 34599 26936 1 44158 86764 46954 1 49165 1 58927 1 1 1 1 1 1 1 N- (3-Trifluoromethylphenyl)Piperazine (TFMPP) 18019 54759 159514 93035 168310 20954 96355 78986 86087 103046 112649 162800 148246 107958 117713 194836 119493 45693 84735 71797 65342 185679 65068 90938 149064 155860 106230 62260 108988 66281 115894 118129 113832 109085 113014 115815 N- (3-Trifluoromethylphenyl)Piperazine (TFMPP) Esi-9.168876 20735 64699 102217 43143 79887 40347 68012 38314 31221 53986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87350 55094 55155 51202 80601 61016 N-(1-Deoxy-1-fructosyl)methionine Esi-12.818358 1 1 1 1 1 1 1 1 1 1 34981 40507 264883 17147 21067 115320 27566 53352 20752 26452 28716 27166 30658 61512 48268 24566 71059 126239 1 22625 65258 64735 64702 62925 57681 28810 N-(1-Deoxy-1-fructosyl)methionine 70969 29395 51939 105254 88234 74942 57628 63299 85203 88596 70765 87494 392456 70005 77709 454207 79594 53352 68479 63731 92857 124017 81653 55169 178744 65460 71059 324375 77048 65278 142692 78638 123477 118362 101104 114276 N-(1-Deoxy-1-fructosyl)tryptophan 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69064 1 1 1 1 73361 1 1 54880 171016 1 1 1 1 1 1 N-(1-Deoxy-1-fructosyl)tryptophan Esi-17.592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58933 1 1 136622 1 73110 1 1 1 103174 1 1 1 1 1 1 N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine 1.71E+07 7796676 2.64E+07 4.06E+07 5.12E+07 4.70E+07 4440439 3.86E+07 4343847 1555710 5.52E+07 3.89E+07 1.45E+07 8829482 1680275 2.66E+07 2.21E+07 9217354 4.68E+07 1757218 1 1 1 1 1 1 1 1 1 1 3.06E+07 1.05E+07 6150027 1.50E+07 1.86E+07 1435046 N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine Esi-23.576998 7905774 2832653 6892678 3.46E+07 3965962 4804739 1.18E+07 4304378 4374593 3.95E+07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-(2-fluro-ethyl) arachidonoyl amine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46568 1545232 279136 49010 6534 10556 125802 373002 5367 70015 1 1 1 1 1 1 N-(2-phenylethyl)-Indomethacin amide 1 1 1 1 1 1 1 1 1 1 326126 239029 248336 298946 362767 206135 212335 258100 311270 160176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-(3-pyridyl)-Indomethacin amide 5890 1 1 1 18304 1 67870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]phenyl]acetamide 284905 232283 305861 129167 235586 146730 82111 114185 196226 261983 1 1 1 106912 1 1 1 1 97846 1 197890 25014 451330 219417 132213 141764 1 46995 1 251269 1 1 1 1 1 1 N-(diphenylmethylene) Glycine benzyl ester 240702 260665 402528 351140 447062 441705 371696 436695 299764 286322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287757 413148 298941 253588 266074 288859 N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine Esi-0.657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20461 1 61695 1 8295 1 29387 6793 1 8919 1 1 1 1 1 1 N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine 316595 1 291067 291986 289927 318843 197292 56776 14041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314196 131350 1 1 1283 1 N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine Esi-15.294001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60928 35541 31992 1 23371 28194 n,n'-dinitrosopiperazine 1085926 1718739 649442 1971339 6590896 199305 3418230 463923 980179 1502432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 n,n'-dinitrosopiperazine Esi-3.2796123 1597295 1582504 3894788 3477880 4348698 1310351 3674447 3133275 2555110 2574985 5566747 755443 1174844 2169253 67942 1711037 2983372 162212 814455 2575903 3714858 3533069 760920 565240 730716 5145305 339994 968285 4379927 418510 2181854 1527338 604784 1473759 2360240 3861729 N,N'-Diphenyl-p-phenylenediamine 1 1 1 1 1 1 1 1 1 1 1 62761 10520 1 7159 1 4469 42182 31851 1 1 41034 4433 52764 59207 57384 1 39880 74024 23037 1 1 1 1 1 1 N-[2-(4-Chloro-phenyl)-acetyl]-N'-(4,7-dimethyl-quinazolin-2-yl)-guanidine 41215 14131 88478 142505 118541 148596 160067 91038 1 17124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-[2-(4-Chloro-phenyl)-acetyl]-N'-(4,7-dimethyl-quinazolin-2-yl)-guanidine Esi-17.579546 41215 13633 131606 143226 120141 149451 161559 93865 1 1 69805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192114 130299 1 1 1 1 N1,N4-Diacetylsulfanilamide 1 4728 1 1 1 1 1 1 29990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N1,N5,N10,N14-Tetra-trans-p-coumaroylspermine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3174746 1182203 21945 1 1 9421 N1,N5,N10-Triferuloyl spermidine 1 1 1 1 1 1 1 1 1 1 331077 367472 315799 385538 388853 389526 265414 173916 324674 395704 415658 409015 247564 142372 399569 185826 245928 438249 364736 319488 1 1 1 1 1 1 N1,N5,N10-Triferuloyl spermidine Esi-14.339803 1 1 1 1 1 1 1 1 1 1 191974 104124 41698 137817 1 138774 194229 143602 167084 132868 1 1 1 1 1 1 1 1 1 1 94999 142781 105990 79693 182168 177795 N1,N5-Tri-di(hydroxyferuloyl)-N10-sinapoyl-spermidine 75382 20805 35880 40641 70390 53057 67580 71423 84985 24281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N17-Dimethylindole-3-carboxaldehyde 25626 75134 22831 1 38418 17900 17348 88931 70685 41074 36580 80772 62538 55439 50926 45328 61514 78657 62439 73807 59978 71544 37779 102252 73527 82054 49856 60681 68261 82196 1 1 1 1 1 1 N1-Acetylthermospermidine Esi-18.22554 1 1 1 1 1 1 1 1 1 1 7387502 6846886 7764357 6291111 4996715 6939641 6417858 6867622 5235856 5844742 6472623 5473677 6049455 7050526 5640345 6317181 4996050 5367362 5380533 4566006 8277944 1.16E+07 6000986 6779012 6532047 6711233 N1-Acetylthermospermidine Esi-12.920054 45673 20522 44798 54251 42235 47253 46936 41498 41986 49413 47006 54408 46752 40119 44008 45588 40012 42456 41840 44257 41490 52904 56083 53123 47450 47931 49196 42761 51623 23480 42230 25450 50925 46192 46441 45872 N1-Acetylthermospermidine 1.33E+07 5604577 1.56E+07 9825573 1.45E+07 1.24E+07 1.16E+07 8095861 7194307 7017957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8777821 1.25E+07 6126653 6999006 6579352 6707146 N2-Acetyl-L-aminoadipate Esi-1.2581818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45844 1 406587 256127 1 1 279276 17701 1 1 98002 88613 121227 177139 62378 223234 N2-Acetyl-L-aminoadipate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49832 53467 252710 217018 9935 21878 57600 68770 1 1 105018 73865 44923 21114 57668 67706 N3'-Acetylapramycin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2610132 2144110 1125734 1014384 1208735 1002857 N3'-Acetylneomycin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81108 1 136945 58074 1 1 1 1 1 1 1 1 1 1 1 1 N6'-Acetylkanamycin-B 1 1 1 1 1 1 1 1 1 1 1 1 1 71765 152778 25874 34195 14482 41398 54098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N6-Carbamoyl-DL-Lysine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16172 1 116064 55988 1 28959 8404 41531 1 10600 1 1 1 1 1 1 N-Ac-Asp-Glu-Val-Asp-CHO 109333 70926 116727 140102 56887 115880 110840 132679 83043 103510 74542 41541 19552 68443 66106 29936 65622 72149 65939 44365 21454 40551 171699 39503 83491 14574 34005 47586 15258 50051 99087 64201 76314 76809 79915 1 NAc-DNP-Cys 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22241 1 50232 1 13537 1 1 11007 11586 8615 1 1 1 1 1 1 N-Acetyl-9-O-lactoylneuraminic acid 1 1 1 1 1 1 1 1 1 1 261558 114955 158179 114743 81996 107946 104162 120580 101823 85941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-Acetylcarbocysteine 228006 147286 280419 281306 159950 305869 266412 158832 81334 524755 1 1 1 1 1 1 1 1 1 1 204681 40382 959893 121023 93134 34775 102889 79623 44249 44399 1 1 1 1 1 1 N-Acetyl-D-galactosaminyldiphosphoundecaprenol 1875775 734278 3568969 936779 1881497 758263 1084798 792414 820948 542454 2290709 839849 1467367 1314638 1081863 2695707 1112038 1043659 1099631 1193137 1949962 574263 3707846 2976457 1335968 1167385 914349 915213 961608 324086 2245861 1578857 1650372 1598915 1402033 1512819 N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine 105071 117944 108871 117021 72547 76674 1 1 135889 148377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-Acetyl-leu-leu-leu-tyr-amide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82524 95278 125618 91487 92956 68711 69964 85458 50943 98359 94312 98240 107495 110177 102400 Nafcillin 76458 142047 133519 134616 129464 188375 128939 206795 133224 213618 1 1 1 1 1 1 1 1 1 1 36879 127926 125987 134809 126351 110691 133298 137436 136728 99954 1 1 1 1 1 1 Nandrolone decanoate 109861 25122 73931 68205 118472 107039 80365 57694 54160 21293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82259 88252 48077 28321 40786 43663 Nandrolone decanoate Esi-20.410997 1 1 1 1 1 1 1 1 1 1 50271 40049 51680 42466 36099 40620 33113 33483 30460 33697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Na-p-Hydroxycoumaroyltryptophan Esi-17.591 48221 1 1 72818 63017 1 86001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Na-p-Hydroxycoumaroyltryptophan 158066 37790 292239 107598 151633 276078 227751 367417 115673 85381 28215 67108 36446 31945 31216 10586 45363 69295 43680 36241 1 1 1 1 1 1 1 1 1 1 241591 173456 25893 21969 37652 53483 N-arachidonoyl tyrosine 334066 233840 380454 233409 253160 126282 205149 206935 255916 158641 353340 201785 216648 115586 199253 273512 124134 153547 203778 231536 267700 209952 154782 163996 120160 132295 159124 175777 111905 189781 282656 265893 223840 342133 218441 200307 N'-arachidonoyl-N''-diethyl ethylene diamine; N'-arachidonoyl-N''-diethylethylenediamine 978165 381826 1223761 1371231 1523991 1272413 1038503 527298 333980 1 387244 1 535080 224417 382487 530036 455741 450008 309309 643312 1 1 1 1 1 1 1 1 1 1 1521519 1123380 590399 603107 584869 1 N'-arachidonoyl-N''-diethyl ethylene diamine; N'-arachidonoyl-N''-diethylethylenediamine Esi-19.133572 57048 248784 393756 435991 494247 98738 117962 394902 263238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222769 73930 134377 40337 69947 1 Narbomycin 3700716 3429605 3625407 2864356 4408713 2136387 3066965 2719749 4008643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Narcissidine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145874 144607 527508 461896 282613 244047 179948 144490 137767 268697 399803 400192 326526 332452 326076 279962 N-benzyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine 81233 44684 54544 33848 28593 40723 39328 20103 27136 21353 1 1 1 1 1 1 1 1 1 1 13820 1 39175 15109 9795 24239 16518 1 12551 1 1 1 1 1 1 1 Nb-Palmitoyltryptamine 69686 23597 68567 60846 111694 81849 173488 43382 23185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27142 94216 37411 32102 22349 21423 Nb-Pentacosanoyltryptamine 513716 639666 817183 622553 294187 405003 372331 486363 523674 537983 527216 490487 471778 536083 689054 445668 527495 453477 491221 320658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Nb-Stearoyltryptamine 1 1 1 1 1 1 1 1 1 1 43676 61476 12344 42369 48050 103519 62984 47900 46184 47743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-Deacetylketoconazole 13120 37996 20155 9188 6041 42750 1 6792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-Dealkylzuclopenthixol 208189 5110 231129 47386 87916 183230 42290 104887 1 68512 1 1 1 1 1 1 1 1 1 1 120993 1 1162495 1 4213 1 129199 42545 31016 1 240457 212985 153596 16185 230847 1 N-Desethylquinagolide glucuronide 220602 131601 130993 29276 250910 131980 92781 1 173066 1 160886 1 131801 129744 109665 135925 89731 102543 1 148454 1 1 1 1 1 1 1 1 1 1 58904 154967 117445 155873 147605 116473 N-Desethylquinagolide sulfate 56077 104659 117809 80035 67865 33552 66266 189538 146030 129004 82226 82278 85976 69758 43977 42403 59850 72868 65764 68531 111574 70446 128878 95104 102611 92687 1 91480 84482 71352 64187 114278 109186 96479 98112 66013 N-Desethylquinagolide sulfate Esi-19.12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201080 81747 1 1 1 1 N-Desmethylmifepristone (RU 42633) 20714 14147 28986 25407 39707 17937 23818 14589 17178 14784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-Desmethylzafirlukast 100034 122939 1 26221 34199 1 104723 1 30889 1 1 1 1 1 1 32957 90199 1 126142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-Didesethylquinagolide sulfate 1 1 1 1 1 1 1 1 1 1 29052 13584 5182 22147 25944 8104 25368 25324 12155 22315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-docosahexaenoyl glutamic acid Esi-13.686222 100089 55796 76812 61346 131405 33572 64704 39439 46126 60708 97441 84175 110907 88514 62078 88466 77095 69179 86826 84905 79700 55836 93052 75437 76692 96683 30709 71917 72925 49605 48166 45365 72169 64774 89266 28902 N-docosahexaenoyl glutamic acid Esi-12.854999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101689 105705 97496 77018 73636 97170 N-docosahexaenoyl glutamic acid 399243 210871 1 333087 200429 385355 1 175312 262631 262609 469008 309250 469792 269549 352508 389570 339285 239789 269582 136160 447259 236863 457088 1 337562 413194 302954 273347 306360 272326 375472 242660 380642 399093 403688 374384 N-docosahexaenoyl glutamine 1 209825 195212 1 260776 1 799206 1 1 1 78477 709869 338381 275137 1 1 1 1 1 755297 381059 595614 1 1 717563 850227 1 579372 597434 664740 1 1 925585 77187 1 682991 Neferine 1 1 1 1 1 1 1 1 1 1 202477 282155 184441 162079 151550 343973 244387 180103 222282 222723 119502 124445 104252 140042 101487 193023 144990 97805 109904 64424 1 1 1 1 1 1 Nelfinavir 2986137 1 2086004 1 1467403 3360514 3376025 1940333 1 1788672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Neoacrimarine I 181913 78742 161454 186939 92932 150217 130636 132527 78346 70898 46650 38536 47838 39251 67200 32137 55511 51279 58213 33724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Neoacrimarine K 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107904 101725 135605 104593 128940 121442 88288 150713 102127 124968 1 1 1 1 1 1 Neoannonin B 88322 1 82265 28298 112144 60281 47047 29734 24652 35296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41308 65178 1 19111 25400 44959 Neoarctin B Esi-19.156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132298 1 1 1 1 1 Neoarctin B Esi-14.067717 56004 86962 14160 74868 1 69480 55618 30161 80677 1 1 160495 1 73988 1 1 159053 204631 204810 92575 1 91483 1 1 1 1 49474 1 1 107598 151259 32660 1 1 85420 60237 Neoarctin B Esi-15.3102 1 1 1 1 1 1 1 1 1 1 57125 89491 40489 179395 202094 67986 132725 313833 307352 57738 76353 130130 221629 190648 49180 85537 189269 429402 212059 336716 185913 1 82064 156419 277255 40672 Neoarctin B 212539 180897 130789 91192 112661 45050 80275 160112 143881 167427 140492 205767 155648 159687 122055 57116 138816 124059 197586 200999 199191 125817 142813 175845 132596 171558 142447 160998 144573 140579 185913 105247 71290 1 63901 69902 Neocarzinostatin chromophore 142226 25473 92749 132926 35521 113377 105495 307101 58028 142334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76648 109984 83374 10208 1 7666 Neotame Esi-9.581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359646 1 345744 1 1 1 Neotame 184666 350215 481884 396791 292196 186713 396215 80619 349441 340935 447893 354711 170215 78770 220182 62958 163130 283823 87744 346682 344881 269593 478573 117250 268938 248837 108739 105995 227319 323267 391178 390834 128705 378213 387939 381460 N-Ethylmaleimide-S-glutathione 1 1 1 1 1 1 1 1 1 1 81559 1 1 70703 1 1 54481 66654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Neu5Gc?2-3Gal?1-4Glc?-Sp 238279 57740 240085 1 94383 45003 154711 195695 60806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Neu5Gc?2-3Gal?1-4GlcNAc?-Sp 486628 325213 280689 323869 527491 334185 448168 256076 1 226451 23427 195513 182434 210997 159505 210373 222029 152812 242162 234252 211136 319188 299860 298187 216474 259137 196018 200860 222824 209332 131811 292718 105178 76825 1 185084 NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 1 68341 1 1 1 1 1 1 1 138699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3.75E+07 1 1 1.02E+07 1.35E+07 1 1 1 9273035 2.25E+07 2.12E+07 1 1 1 6.89E+07 NeuAcalpha2-8NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) 1 113404 179822 121358 83619 80411 90569 73305 109610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61353 176652 1 1 47373 119608 30822 1 1 20949 1 1 1 1 1 1 Nevadensin 5-gentiobioside 186141 22418 189077 147507 121884 180545 89862 51280 38399 23179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149469 90071 23791 22467 21596 15461 Nevirapine 17885 146558 13835 1 1 1 8356 1 19108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73082 15346 22831 1 1 1 1 1 1 1 1 1 N-Feruloylaspartic acid Esi-8.180532 1 75718 1 1 1 1 1 7833 10733 1 1 20781 1 1 1 1 31435 27081 74276 19418 1 83263 1 12540 76660 42951 14314 15302 1 34090 1 1 1 1 1 1 N-Feruloylaspartic acid 245967 217604 221297 168194 106788 172963 138785 209155 240040 127594 124954 68650 153778 192721 147724 100186 174174 164793 196278 133302 110066 199442 217667 100521 224567 222996 143836 109846 200432 115986 151731 192146 202918 190840 199046 194019 N-formylmaleamic acid 1.18E+07 1463783 5179770 1.20E+07 4490745 1.48E+07 4298408 6633364 2370832 1.94E+07 9072392 1677951 1893433 2113032 2359109 2813614 5026698 4825222 1187717 1061908 8761027 2800589 2973858 2284301 3303305 1095057 8618325 2830651 288758 2130264 9101871 9370141 9305231 9144744 8473783 6337605 N-Formylmethionyl-Leucylphenylalanine 1 1 1 1 1 1 1 1 1 1 76241 125122 94104 125296 113608 111770 116415 115485 110491 69913 146483 89357 115844 182555 106693 123805 133693 135546 90903 103166 1 33016 88933 129734 131992 139847 N-Formyl-norleucyl-leucyl-phenylalanyl-methylester 1 1 1 1 1 1 1 1 1 1 79490 84099 50959 1 1 17680 1 86939 73953 63251 66931 14921 1 1 1 1 1 47674 4926 1 32606 1 1 58120 110897 41614 Niazimin A 41988 269392 82784 254985 112588 377553 82147 324929 142908 238705 211003 419544 305312 400800 353102 283538 372436 452900 282429 331048 267621 448360 478513 407970 382035 364471 325921 376639 371360 346184 1 325842 320810 395783 407181 430756 Nicarbazin 1 1 1 1 1 1 1 1 1 1 42716 1 21415 4188 1 49935 12534 1 1 27129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Niguldipine Esi-11.651002 1 1 1 1 1 1 1 1 1 1 15965 51532 48877 34566 33602 18274 25988 69077 94748 17695 22118 47466 43720 46861 30403 75100 99604 77891 79811 15053 37973 30494 37723 1 1 32861 Nitazoxanide 108784 98594 88428 84024 59287 74628 74291 103512 109663 66466 66824 29013 62446 83630 62351 38029 74996 68084 88373 88867 57672 91624 83119 51847 98000 111116 68111 61765 85876 53087 68900 87346 84814 100537 60494 94437 NKH477 1.55E+07 1.17E+07 1.35E+07 1.19E+07 1.42E+07 1.34E+07 1.55E+07 1.29E+07 9502097 1.01E+07 1.12E+07 1.06E+07 1.10E+07 1.26E+07 1.08E+07 1.33E+07 1.08E+07 9702444 9721949 9025129 1.15E+07 1.39E+07 1.05E+07 1.06E+07 1.07E+07 1.22E+07 9756237 1.09E+07 1.22E+07 8908683 1.36E+07 1.38E+07 1.17E+07 1.05E+07 1.14E+07 1.19E+07 NKH477 Esi-13.966839 3063336 3894316 2178983 3091727 5244116 2981979 4102391 2903620 4120309 2227085 3087854 3755800 2610404 3615126 2691739 4516644 3242083 2672944 1780581 5029402 3343652 5719257 2634576 2625641 3301659 4498694 2489139 3593579 3499320 1764197 4197685 3289239 3392874 3886840 3456648 3900464 N-linolenoyl-glutamine Esi-11.3399 1 1 1 21668 70076 11255 1 1 1 1 29943 45033 1 1 1 71615 1 38582 1 1 1 48860 89702 1 1 1 1 37568 1 1 1 1 1 1 1 1 N-linolenoyl-glutamine Esi-10.548 1 1 1 1 1 1 1 1 1 1 432616 196866 64626 1 3270 358708 22223 359535 1 3430 29776 638840 2523349 23630 1 11825 56280 335178 1 52101 1 1 1 1 1 1 N-linolenoyl-glutamine 33164 1 1 22555 327916 60534 1 39564 1 15380 142572 394761 32948 13403 119416 93186 19369 98876 1 3896 5083 273246 551142 1 11030 1 9583 69561 1 122165 108349 70284 110520 108015 74593 112338 N-Methyl-2,3,7,8-tetramethoxy-5,6-dihydrobenzophenathridine-6-ethanoic acid 1370201 309422 1327910 989876 1171102 1032832 1041308 561746 355553 159871 390390 209744 281856 195743 200745 214143 183523 196896 177064 167142 236732 161792 328123 199121 193344 177532 150018 151211 148339 118520 947947 873884 298439 214886 239819 206069 N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one 1 1 1 1 1 1 1 1 1 1 11785 1 12970 18312 20093 1 11610 6922 3983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-Nitrosotomatidine Esi-18.211845 1 1 1 1 1 1 1 1 1 1 42719 40479 74234 27531 6052 31072 42636 78778 41310 70613 1 1 1 1 1 1 1 1 1 1 34646 79856 43565 1 1 1 N-Nitrosotomatidine 1 1 1 1 1 1 1 1 1 1 99492 73017 1 57280 21616 61368 90429 69309 96653 97752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-oleoyl asparagine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114710 1 1 1 1 1 1 1 1 1 1 1 1 N-Oleoyl Dopamine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232717 51437 1 15144 1 1 36820 1 1 1 1 1 1 1 N-oleoyl glutamine 1455707 3053178 1619938 1449135 1236056 1361858 1604331 94721 677778 1248439 961020 2654595 1074640 1131534 1076336 1936036 1015988 1020739 1066633 814662 1371170 1500325 1298308 1011459 1290219 2344 1428409 1420535 1367206 1522976 1422494 1361044 1342733 1289245 1358451 1482110 N-oleoyl leucine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63362 129723 564969 115635 115270 60199 93278 76347 90808 46006 251543 234151 142976 147852 137842 134403 Nomilinic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42979 86416 1 1 1 1 21670 1 1 1 1 1 1 1 1 Nonoxynol-9 368933 690259 445976 444098 453701 491837 343769 472099 366220 629907 663115 1173333 664039 973381 740838 661115 943190 1286348 768859 904202 739890 1218295 1435818 1296544 1050658 660096 776049 1012636 800761 870382 474982 402648 906357 1232861 1062572 1150350 Norbinaltorphimine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299541 175193 264839 321765 221604 185479 138362 126020 121271 83549 1 431618 102768 213664 260897 165228 Norepinephrine sulfate 501662 466817 359527 451090 175281 451522 462695 536128 538930 335858 518728 469325 548947 387717 465258 248506 493047 110786 586598 369576 470810 555816 325718 530237 552384 394516 63716 586873 499821 541219 490054 374331 472915 242124 553745 517636 Norfuraneol 653913 586774 710739 305844 704357 1 898602 1 726282 418410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611081 1 1 1 1 1 1 1 Nostocyclopeptide A1 438811 294629 417829 233490 262727 340334 276888 389244 266539 263768 180712 265049 172303 207736 164157 171205 179566 268577 180455 153072 173932 98173 478853 423422 320620 89930 105565 251049 196467 99145 222298 234668 453898 668886 498836 573539 Nostoxanthin sulfate Esi-17.429855 79394 74284 199336 233600 260643 164764 204758 1 81458 26818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199187 1 39947 35148 28153 42422 Nostoxanthin sulfate 1 1 1 1 1 1 1 1 1 1 172304 128615 203568 152111 204506 96105 160830 150219 155414 98345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Notoginsenoside R4 212211 166884 136282 109314 167056 119084 212211 153307 173566 120259 1 1 1 1 1 1 1 1 1 1 156131 161035 109677 131978 117371 126005 147976 96425 108698 164021 1 1 1 1 1 1 Notoginsenoside R9 152925 809227 156815 195040 284465 347599 475145 737493 806380 498989 753630 735872 667082 617190 472192 705256 713629 502696 656851 679781 540620 1 615147 5791247 3421572 1395152 1 771141 1 1 342056 570665 679540 717636 738168 738988 N-palmitoyl leucine Esi-19.009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317093 46424 8516 17090 47580 24515 2197 8640 1 1 1 1 1 1 N-palmitoyl leucine 1 1 1 1 1 1 1 1 1 1 46081 47457 35068 58141 51154 21557 44009 54512 52801 7923 54203 15689 402116 94096 71014 51113 82814 66039 60463 50181 97803 43651 50311 10074 15751 1 N-palmitoyl phenylalanine 1 1 1 1 1 1 51307 1 5127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-palmitoyl tryptophan 135028 42579 95112 93644 80919 67925 55359 51656 53768 44500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162763 45966 29852 27968 20404 17536 NPC 139463 1 94388 90156 195799 151966 89595 40867 37236 23708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149391 108468 30713 37059 49043 42960 N-Phosphohypotaurocyamine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6774 1 12181 1 23432 1 1 1 109007 1 1 1 1 1 1 NSC 23766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 718777 955994 929126 495082 874177 950494 546899 772420 670717 649589 1 1 1 1 1 1 N-stearoyl alanine 1 1 1 1 1 1 1 1 1 1 64106 56414 34968 52032 45991 8657 56760 71007 57618 36649 32804 42901 174931 48518 49751 31197 31338 34278 21865 10678 48262 77173 77067 78753 45939 80622 N-stearoyl proline Esi-18.875751 1 1 1 1 1 1 1 1 1 1 51518 53817 29313 54566 43605 29261 26489 82075 50191 36158 1 1 1 1 1 1 1 1 1 1 43472 45799 84125 87932 84177 85202 N-stearoyl proline 37841 80252 89434 36256 22489 1 1 130294 67534 58489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-stearoyl proline Esi-18.880999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20882 45665 218254 50955 40379 1 40952 10992 28164 18060 1 1 1 1 1 1 N-stearoyl tryptophan 48794 21399 18611 247488 268263 251235 233731 27806 1 8589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-tryptophanyl-35-aminobacteriohopane-32,33,34-triol 174166 1 101213 94106 141406 98135 46972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102134 93006 1 75722 57741 1 NU 7026 Esi-13.103081 1 1 1 1 1 1 1 1 1 1 43996 79497 36999 48876 49345 1 53150 61577 48757 40007 38919 63093 91021 27396 67743 55592 44643 55871 64484 44917 93062 61200 74522 75020 1 74663 N-Valerylglycine methyl ester Esi-5.969946 1754265 676885 4796867 1374652 593746 1360734 2073134 556596 601614 2912303 761602 521026 323729 396530 536932 709557 609867 601299 648016 542384 915906 514311 6793047 603620 779197 561277 2572761 308010 674829 367868 893114 903945 900343 938041 963323 932966 N-Valerylglycine methyl ester 6212907 7378283 5455130 3394255 1655660 3735188 2780595 5080481 5946764 2635444 3106792 5259821 3155136 4469926 3161235 1141327 3781236 3423573 4547835 4524176 1639430 4555038 5580851 5256991 5241516 5354920 2796791 1640152 4472846 2219050 4692817 4383734 4428654 4482720 4487023 4463523 NVP-BEZ235 1 1 1 1 1 1 1 1 1 1 200022 208222 115809 82992 121709 135510 166261 185331 121044 139544 148607 180525 279660 185472 161003 155171 140134 155729 146081 124551 1 1 1 1 1 1 NVP-BEZ235 Esi-19.376516 1 1 1 1 1 1 1 1 1 1 176192 219606 155858 160557 126388 143834 186871 211864 143210 144939 143039 156076 275528 138444 1 144605 144622 146766 132386 121969 185922 196300 190493 187872 165000 185468 O-Acetylcypholophine Esi-13.734918 642420 851861 1769328 443567 2241473 314553 821944 404460 702454 1103860 1645608 1420550 1279005 1071303 1024003 1936219 1980303 1104742 1440336 675696 777755 1950615 476482 1830205 916694 1575194 270945 646745 1528351 222486 324750 1069060 1274347 1157863 732461 29535 O-Acetylcypholophine Esi-19.113197 247791 72502 534055 412267 990200 357887 363358 197795 32214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443959 229280 25872 112408 164702 38516 Ochrolifuanine A 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399618 438351 1 104723 4171 195345 Octadecanedioic acid 3179761 1226527 1269398 2946841 6440884 4105628 2961967 4651603 3620465 1360433 1 1 1 1 1 1 1 1 1 1 4854970 3035186 3522293 2302379 958232 4095899 2212041 3421530 5005267 54201 1 1 1 1 1 1 Octadecanoic acid, 2-mercapto-; alpha-Mercaptostearic acid 1 1 1 1 1 1 1 1 1 1 1 15721 14661 1 6657 3734 1 64162 3414 1 12551 1 43525 7546 1 1 1 1 25568 16197 1 1 1 1 1 1 Octadecanoic acid-1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143184 135271 138932 130116 160804 168505 Octamethyltrisiloxane 8183 38923 15252 1 2092 4081 1519 8382 21165 5890 1 1 16268 27676 14802 1 24197 13502 39185 17748 2721 36809 15357 16316 40054 62481 4208 1 23774 33910 1 1 1 1 1 1 Octinoxate 75138 68254 86703 60191 35450 86488 43864 50376 56156 1 86667 134568 54338 73774 80280 53565 75872 89730 75433 69804 64050 103151 123369 50958 115544 114852 51749 75418 117216 68589 79273 67938 76184 76451 80530 82510 o-Hydroxyfinasteride 50048 260235 29073 1 19442 1 19635 201134 89143 27219 1 1 1 1 1 1 1 1 1 1 35454 169002 54528 204829 302693 91530 43598 84242 153912 28938 123153 111239 101103 93161 92347 86297 Oil Orange SS 71178 1 35286 66781 32736 35269 92485 1 1 13816 1 1 1 1 1 1 1 1 1 1 96926 1 50369 1 1 1 1 1 41677 50434 1 1 1 1 1 1 Okanin 4'-alpha-L-arabinofuranosyl-(1-4)-glucoside 141899 1 118637 149061 78933 1 1 88452 53959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Olanzapine 58358 209715 10969 45756 24942 80307 16810 135287 94503 39635 15917 295613 41479 100940 123907 9054 105694 237389 163516 154715 33570 260976 76214 44838 234917 190515 51891 208619 94535 46066 183774 9801 153798 145295 63274 142010 Olanzapine Esi-11.483528 7729 68149 1 1 1 1 1 26740 22168 1 1 29580 9551 22054 1 1 92163 20497 71558 24749 1 80344 1 37173 31287 37561 17614 24885 45224 21146 1 1 1 1 1 1 Oleoyl 3-carbacyclic Phosphatidic Acid Esi-9.697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57743 57351 1 1 1 1 32650 1 1 1 1 1 1 1 1 Oleoyl 3-carbacyclic Phosphatidic Acid Esi-10.19755 27103 9407 1 269841 162672 141059 65734 77580 14859 46150 137432 228011 66541 18889 46354 206279 84143 99749 1 20463 27998 146978 115374 78475 20130 50984 37269 100151 1 83479 111958 64473 95706 109536 99529 102316 Oleoyl 3-carbacyclic Phosphatidic Acid 29134 1 1 342334 433449 139380 40783 12539 1 24981 224365 347770 42962 1 60468 335162 29593 165529 1 1 43714 551135 288816 7413 11883 1 44132 192348 1 54341 133874 133706 139586 159080 128909 147059 Olprinone 36305 30487 33746 50357 27924 45988 34895 25443 34579 22042 1 1 1 1 1 1 1 1 1 1 25224 43955 51288 31523 46291 42856 22387 31558 35203 33007 31929 41529 40628 40070 33437 39483 O-Methylisoetharine sulfate 50949 26219 19093 44926 21199 66605 38208 58931 44941 56177 37885 60225 24796 13628 40894 14090 47717 47080 36153 33544 27913 51232 64621 21496 63623 1 36260 26564 43805 1 1 1 1 1 1 1 O-Methylsomniferine 264234 267748 444025 245411 465743 471079 353411 331315 316640 267857 440392 431580 584521 232752 302984 277588 243758 206804 259957 268222 315548 239341 411480 102375 209513 397580 229568 195637 122626 177987 189023 282062 319260 157584 289327 287953 Omphalotin A 1 1 1 1 1 1 1 17969 65972 12105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Orientaloside 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7290 33602 16538 66616 44116 139942 7538 1 12689 17625 1 1 1 1 1 1 Oryzalin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 610632 556734 481467 117209 684347 Oryzanol A 918273 1680740 798634 971724 955934 1204646 874712 1403778 1217578 1379661 1005262 1 1 1 1273355 470208 733017 1066138 1 827827 1 1 1 1 1 1 1 1 1 1 756876 1107937 1771677 2017037 1959109 2040380 Oscillatoxin A 687671 937719 1426380 220546 1502298 250213 671453 515202 651573 778388 1 507581 1288986 1337624 1016545 1205003 96642 761086 729601 445123 152461 805577 1170969 1205993 785712 1199507 437164 823490 962202 186053 294160 864485 1130325 468847 978282 1089365 Oscillatoxin A Esi-13.667364 798134 950912 1486583 487058 1502298 254682 680766 515395 651573 774660 1095911 365743 945751 1273900 1025641 1212096 477037 694497 759165 859132 923103 838814 1160407 1176374 845806 1175896 433789 803414 952305 189028 1 1 1 1 1 1 Oseltamivir Esi-12.221 55623 82675 130208 95951 69632 104076 177323 175169 66719 101640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Oseltamivir 352274 1242342 39111 40630 43056 35167 282545 121672 271854 11512 92023 264861 110313 206927 15421 21294 405931 26779 1400010 304257 112096 468892 9985 200668 319293 284386 51135 46343 234960 180077 331735 116784 111285 301943 315902 314631 Oxaburimamide 1 1 15646 1 1 1 1 41656 1 11797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Oxaburimamide Esi-3.28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28272 6313 1 13663 77276 Oxadiazon 28128 1 7692 70104 29247 107907 130931 1 1 28008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Oxepahyperforin 1 1 1 1 1 1 1 1 1 1 144834 102183 78924 120942 116442 110951 114478 96352 66451 67573 1 1 1 1 1 1 1 1 1 1 208900 92698 135254 75432 56038 26975 Oxotolrestat glucuronide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36321 1 1 1 2559 2583 1 1491 1 1 1 1 1 1 Oxyphencyclimine 30097 22107 40139 18233 26150 67060 29842 33331 32973 95195 36941 14640 38110 31634 43908 8517 28082 66565 26696 17823 34092 10994 61610 41154 47231 22755 39956 33557 45050 8349 1 1 1 1 1 1 Oxytetracycline 356374 76292 292417 225300 333906 243249 239314 140357 115338 65227 1 1 1 1 1 1 1 1 1 1 95459 1 67380 80954 73431 68285 52540 40684 65644 34137 168406 144349 59850 70535 63285 61266 Oxytetracycline Esi-1.5249999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5986126 576717 1.30E+07 670745 715456 223228 7934205 1097379 582022 788612 1 1 1 1 1 1 p-(Phenylazo)benzenesulfonic acid 51274 39454 76734 84233 31568 47124 68378 49733 36621 60933 1 1 1 1 1 1 1 1 1 1 28817 29472 188671 5993 53291 48000 55962 50961 44800 70490 57663 50331 34206 51870 41600 26133 PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 477527 1 391466 469079 1 246194 197297 259915 448719 547382 1 1 1 1 1 1 1 1 1 1 1300240 1514009 989218 1631636 1354705 1206169 754805 1241642 1111883 1174756 1 1 1 1 1 1 PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-18.22917 1 1 1 1 1 1 1 1 1 1 893054 1489741 1354968 1481385 1487654 1534432 1446479 1560223 1307896 1608697 1240798 1533187 644644 1 704329 806412 708839 1194647 1120188 847880 222549 274138 1169131 1788289 1386499 1 PA(13:0/18:3(6Z,9Z,12Z)) 60094 1 81801 107857 102919 117357 105339 33818 39371 41447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PA(18:3(9Z,12Z,15Z)/0:0) Esi-15.619001 84555 35459 96665 49075 54014 60917 81107 82518 41788 36434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PA(18:3(9Z,12Z,15Z)/0:0) 141764 103877 181965 105521 95384 72230 10800 118301 131919 141845 92033 148263 184762 141511 158028 144430 140829 114533 94985 105638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PA(20:3(8Z,11Z,14Z)/13:0) 312446 1159874 210730 297347 408764 443890 583919 1032184 1022550 838516 3019621 1689121 1208189 1238547 1022628 1327236 2070592 1136592 1285805 1317475 1 1 1 1 1 1 1 1 1 1 516071 842928 1765073 2056776 2053271 2155490 PA(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) 1 1 1 1 1 1 1 1 1 1 1 219016 1 1 1 189842 175032 230613 1 197146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PA(22:2(13Z,16Z)/20:0) Esi-17.563997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188447 128434 62714 80219 58746 21130 PA(22:2(13Z,16Z)/20:0) 157631 233440 57993 418656 2133776 370725 250425 968958 156074 539254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PA(22:4(7Z,10Z,13Z,16Z)/0:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439666 413065 406811 316224 471064 522922 355537 413082 527074 382624 514827 303784 502478 387148 477718 507997 PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0) 620743 312072 655776 419403 225399 266450 353400 315525 290546 348152 359403 233265 381236 312347 407961 210188 292240 260114 276764 208081 169135 235404 766994 357283 293305 179579 289496 154332 188764 188160 386614 345189 326349 364691 340194 381393 PA(O-20:0/0:0) 214297 246655 226713 223821 234885 231089 238674 228593 238384 241207 226005 263786 244030 242884 255687 249610 258864 228891 191754 242488 1 1 1 1 1 1 1 1 1 1 226179 231288 236922 253949 242491 202314 PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 4338058 646038 5823663 1946834 2143046 1940598 1721651 1045816 942906 885604 1797473 509568 2189682 790296 731934 586528 574600 450675 402909 600857 824941 573881 1655583 284768 519168 574605 467986 628624 414199 301649 1320296 1585735 1034054 593656 864065 755220 PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-23.697498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813298 566932 1654150 284508 516075 570395 477797 581449 413203 301280 1320296 1586858 1028663 599140 878427 877097 PA(P-16:0/0:0) 171002 185624 221664 87478 44984 163754 160884 239208 154364 136381 1 1 1 1 1 1 1 1 1 1 179758 55724 918557 324226 221323 37852 185583 31613 183903 8807 201883 186266 191125 212980 196424 200113 PA(P-16:0/15:1(9Z)) 1.59E+07 1.36E+07 1.83E+07 1.10E+07 6516288 7640575 9764510 9812922 9976715 1.39E+07 1.32E+07 8614459 1.38E+07 1.17E+07 1.42E+07 7921875 1.06E+07 9368709 1.00E+07 7777711 6594541 9028315 2.45E+07 1.25E+07 1.08E+07 6781965 1.04E+07 5622698 7235216 6616987 1.01E+07 1.06E+07 1.54E+07 1.51E+07 1.53E+07 1.49E+07 Palmitic acid 1 1 1 1 1 1 1 1 1 1 347886 363942 323766 309395 220145 252268 290349 312671 268432 245882 304155 306796 537927 338955 313051 282330 212437 285315 246397 219407 1 1 1 1 1 1 Palmitoleoyl 3-carbacyclic Phosphatidic Acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52969 1 34207 16613 41239 21735 1 1 1 1 1 1 1 1 Palmitoyl glucuronide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327462 1 1 1 1 1 1 1 1 1 1 1 1 Palmitoyl Serotonin 28705 63767 87411 31574 58730 57244 46148 157838 35338 81740 1 1 52424 94256 94241 27406 1 1 67951 93052 25058 13625 179406 17480 40577 56932 47544 9845 59148 41436 61449 96577 74581 73594 80741 82058 Palmyramide A 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23057 36020 82598 47052 41142 23427 37368 23399 1 28368 1 1 1 1 1 1 Pamidronate 1 1 1 1 1 1 1 1 1 1 483421 193452 639869 388269 209251 418263 326456 359557 105385 136985 390600 205409 80234 427423 238244 339006 345607 265431 343206 303471 230167 365445 385213 357661 383766 366074 Panasenoside 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184009 120141 49902 42466 45302 37959 Panaxadiol 1 66590 1 1 1 1 1 16226 30766 1 1 1 1 1 1 1 1 1 1 1 1 46594 1 10900 9432 11152 1 5800 1 1 1 1 1 1 1 1 Pandaroside B 147375 62856 358014 287487 396503 205613 190034 234580 165484 84259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307773 336996 85098 90675 71788 69610 Panfuran S 1 2447966 230103 1 964796 145940 221723 635203 1325613 119666 242263 612408 757623 730319 473023 626291 208704 441178 609269 513543 244139 825367 141979 312152 197504 604003 78260 41423 109334 14689 187940 308893 196428 459423 603534 889211 Pantothenic Acid Esi-2.43 318196 304116 658278 319489 371996 630938 224732 80029 51093 514413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pantothenic Acid 312859 296656 663930 319489 381696 633188 458642 117436 254663 499366 1 1 1 1 1 1 1 1 1 1 250477 284354 241226 166623 240843 255298 379914 164184 250973 674062 1 1 1 1 1 1 Patellamide C 638833 318811 451750 372393 68298 547261 724136 333580 382564 247125 172110 353461 368085 161097 315504 208384 209971 389343 361555 253837 1 1 1 1 1 1 1 1 1 1 362153 311588 185928 67876 251735 298014 Patellamide C Esi-14.6015 52750 322566 215752 882190 416148 871208 760970 626087 81452 341900 1 1 1 1 1 1 1 1 1 1 138984 321295 366251 128379 358268 34720 369336 321389 538756 392711 1 1 1 1 1 1 Patellamide C Esi-14.832718 127001 77294 127794 139821 69112 135863 120376 152276 142971 112919 86692 95628 111709 127215 100837 102969 79854 95889 109850 104345 114999 135978 106759 99141 80399 68868 101022 99082 104885 89757 100589 137542 119965 74100 79527 94070 Patellamide C Esi-15.121277 1 205350 1 385061 1 1 1 599575 296429 1 1 1 1 1 1 1 1 1 1 1 279486 151975 89364 315219 1 232336 122438 222060 180248 302146 505086 1 93960 158192 130987 246727 Paucin 1 37739 1 1 1 1 1 9203 17968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 p-Coumaroylagmatine 94268 66914 165207 203117 109603 192354 132328 37172 71343 109842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 p-Cresol 177593 125846 254569 68012 96862 95341 82916 131957 182955 200067 112383 95000 266723 125084 137867 128965 125781 136298 91810 86525 1 167359 63752 85626 129098 299031 41106 95919 376300 379235 1 1 1 1 1 1 PD 123177 302296 221474 331431 389688 145391 326226 304312 350295 221383 259363 242967 74328 172482 222384 239446 96276 194066 206754 213466 129293 8763 49593 494056 18632 77582 123338 52916 62786 88856 135402 274778 171101 239214 217440 225903 1 PD 173074 72301 125328 38039 69232 42463 20829 38085 75569 95174 58732 1 1 1 1 1 1 1 1 1 1 38195 90791 66905 23443 24280 29088 47021 31283 35849 22086 1 1 1 1 1 1 PE(13:0/0:0) 41379 40370 48948 19195 11810 29235 32783 55452 35244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PE(13:0/0:0) Esi-8.8502 1 1 1 1 1 1 1 1 1 1 28427 1 35815 34791 32577 1 1 1 16415 19663 20193 14416 126827 51161 31966 12407 28580 4590 23754 1 1 1 1 1 1 1 PE(15:0/16:0)[U] 170438 1 1 1 63597 1 18873 27462 191727 35980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48703 10216 18846 11699 13790 10136 PE(18:0/0:0) Esi-13.6850605 705873 563838 609302 387146 949761 276865 649058 381678 442408 456175 864783 669012 1 754362 548163 708633 556115 500710 612903 725642 665150 535993 616398 669926 595797 677266 258509 519915 566170 320516 44229 416832 646644 699928 611734 1 PE(18:0/0:0) 3201412 3394989 1756920 3190667 6228277 3283615 3415692 2491803 2921339 2215604 3587071 3314495 1810187 3311003 2788485 1552142 2530733 2935178 2913621 2779640 2598146 3180105 2867944 3264107 3100242 1678860 3052963 2637853 3339804 3076855 2588072 2844390 2680387 2700974 885411 2400960 PE(19:0/0:0) 1.41E+08 1.33E+08 1.47E+08 1.35E+08 1.32E+08 1 1.48E+08 8.72E+07 1.43E+08 1.01E+08 2.24E+08 2.00E+08 1.29E+08 2.11E+08 1.98E+08 1.33E+08 1.36E+08 1.85E+08 1.96E+08 2.03E+08 1 1.07E+08 1 1 1.13E+08 4.98E+07 1.13E+08 9.03E+07 1.16E+08 1.12E+08 5.70E+07 1.76E+08 1.90E+08 1.89E+08 7.09E+07 1.54E+08 PE(19:0/0:0) Esi-15.639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1883023 1 253018 481237 386744 1 391071 8206 249844 2223331 1 1 1 1 1 1 PE(19:0/19:0)[U] 130482 1 100680 1 60350 1 88760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PE(20:0/0:0) Esi-15.449843 580943 377739 1 1253794 774443 1370874 444358 464408 495704 1116050 179347 1052933 2344040 1197552 889376 177753 192253 71610 172798 87045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PE(20:0/0:0) Esi-15.505648 817340 464155 176583 1244223 774491 522180 511674 636408 495419 1024064 1 1179954 2204836 1060448 862950 1061063 894028 629643 840940 866145 1154732 598398 439747 1200989 876648 1345916 485768 799647 1164654 891903 888907 1 1331766 1478010 1641962 1719853 PE(20:0/0:0) Esi-15.399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196025 1344944 124857 1168392 194214 1081894 532922 257218 571093 72973 1 1 1 1 1 1 PE(20:0/0:0) Esi-16.537123 1 290024 806337 1 539581 299697 1 451965 427301 1 443256 283747 441543 494351 414027 422267 265015 155244 252460 295909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PE(20:0/0:0) Esi-12.4609995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266435 35701 30099 21240 39351 28553 36593 1 1 1 1 1 1 1 PE(20:0/0:0) 2398197 1267159 2458518 1590665 1834380 1640021 1849802 1463401 1706163 1038067 1741454 1214514 1595338 1477661 1473828 1603705 1124130 1051697 1148591 1310151 1474938 945329 1592504 1261018 1217030 1369619 1098530 922363 1138801 1055464 1805723 1725388 1494967 1301994 1456216 1428306 PE(20:1(11Z)/0:0) Esi-15.071059 386991 351955 354874 306724 404544 218687 306004 329000 470785 1 350690 395058 340196 328237 327971 386736 330901 295686 287678 390183 404719 321786 254098 340004 421363 420812 243171 331500 401029 235236 384049 354083 363484 363303 323410 295875 PE(20:1(11Z)/0:0) 1673749 1592524 1536699 1639924 1850253 1529547 1396628 1562043 1970528 1165105 1440339 1715653 1529592 1552519 1292869 1636056 1314381 1202397 1360052 1516573 1864086 1687735 1239461 1605978 1452141 1699522 1235528 1375328 1646762 1050777 1688059 1758519 1597128 1453714 1504372 1516927 PE(20:2(11Z,14Z)/0:0) Esi-13.972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325469 399885 249399 289311 222174 376990 199588 304905 307646 142678 1 1 1 1 1 1 PE(20:2(11Z,14Z)/0:0) Esi-14.2688465 1 1 1 1 1 1 1 1 1 1 6.65E+07 7.29E+07 6.68E+07 7.01E+07 6.05E+07 8.18E+07 6.73E+07 6.28E+07 6.37E+07 7.43E+07 9.50E+07 8.94E+07 8.77E+07 8.92E+07 8.80E+07 9.57E+07 7.76E+07 8.70E+07 9.36E+07 7.39E+07 1.07E+08 1.13E+08 1.15E+08 9.94E+07 1.16E+08 1.20E+08 PE(20:2(11Z,14Z)/0:0) Esi-13.973057 338469 431996 337073 327237 515213 306154 379109 343478 448625 234551 380271 404997 337695 414238 300970 575308 357699 321452 237960 518961 382671 559370 352687 304078 342925 492429 247445 402547 395674 191837 402119 400255 454962 411200 397889 407805 PE(20:2(11Z,14Z)/0:0) 1524230 1521659 1498460 1158079 1592749 1316554 1400057 1408099 1494871 795797 1540176 1394432 1266370 1453028 1297060 1813448 1347075 1229325 1174659 1746576 1522490 1707879 1431341 1203824 1352423 1647457 1102517 1381380 1479724 1305238 1584801 1447810 1680608 1300061 1554892 1531694 PE(20:2(11Z,14Z)/0:0) Esi-13.972372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3.58E+07 3.96E+07 3.52E+07 3.26E+07 3.62E+07 4.51E+07 3.22E+07 3.81E+07 3.42E+07 1.78E+07 4.38E+07 3.48E+07 4.08E+07 4.11E+07 3.66E+07 3.99E+07 PE(20:3(8Z,11Z,14Z)/0:0) 2788272 1183426 3068361 1050725 2945954 875947 1506259 792210 1277412 149812 2114483 930948 2054052 1825664 976632 2951705 907200 855017 1096779 1180066 2160061 825306 2399576 2572201 1786261 1948559 910860 841517 1337678 635076 1977744 1813774 1985655 1865972 1897707 2021736 PE(20:3(8Z,11Z,14Z)/0:0) Esi-14.924429 1 110165 152700 116378 262380 1 1 91922 132186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139407 132763 1 62445 224916 1 172490 1 156366 1 129167 133424 PE(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) 103664 3531 68513 172250 5676 127627 125393 1 62005 1 91789 1 1 29511 1 1 8259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PE(22:0/0:0) 390741 1 335726 1 645009 1336655 961837 390395 218040 206060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4736150 4604232 3883074 2936176 4000327 4091855 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8.42E+07 8.02E+07 1 7.80E+07 7.71E+07 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.241123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.18E+07 5.49E+07 5.44E+07 5.36E+07 5.00E+07 5.29E+07 4.75E+07 5.05E+07 4.92E+07 4.58E+07 4.99E+07 5.82E+07 5.52E+07 4.28E+07 5.35E+07 5.32E+07 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.015497 1.90E+07 2.32E+07 1.44E+07 1.95E+07 1.70E+07 8572881 1.65E+07 1.31E+07 1.98E+07 1.06E+07 1.82E+07 2.40E+07 1.29E+07 1.63E+07 1.33E+07 2.14E+07 1.77E+07 1.83E+07 1.70E+07 1.90E+07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.242999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4.99E+07 5.82E+07 5.46E+07 4.28E+07 5.14E+07 5.29E+07 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-13.98833 1 133419 1 300596 163748 263854 1 110076 387360 137822 1 226505 18247 219261 268496 110062 253531 229121 298649 267939 199663 243309 145595 157641 258052 30674 139687 143241 271720 82662 1 145072 289944 257572 333870 1 PE(22:4(7Z,10Z,13Z,16Z)/0:0) 3.00E+07 3.45E+07 2.00E+07 2.54E+07 2.36E+07 1.10E+07 2.31E+07 1.92E+07 2.84E+07 2.39E+07 2.69E+07 3.45E+07 1.69E+07 2.39E+07 1.95E+07 3.02E+07 2.44E+07 2.70E+07 2.37E+07 2.68E+07 1.57E+07 2.24E+07 1.85E+07 1.57E+07 1.75E+07 2.06E+07 1.61E+07 1.84E+07 1.44E+07 7248551 2.21E+07 1.59E+07 2.03E+07 2.04E+07 1.71E+07 2.00E+07 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.530001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 760348 1033154 579455 470832 290495 1035956 359159 409372 771432 375293 1 1 1 1 1 1 PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) 1 403279 1 1 1 1 1 1 927423 879970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1 1 3.90E+07 1 1 2.71E+07 3.65E+07 1 3.59E+07 1 1 1 1 1 1 1 1 1 1 1 6.57E+07 3.99E+07 8.25E+07 7.49E+07 6.45E+07 5.79E+07 5.47E+07 5.65E+07 5.10E+07 2.50E+07 1 1 1 1 1 1 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) Esi-14.486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326135 218219 96620 276450 49006 266645 24479 1 1 180511 1 1 1 1 1 1 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0) 1 6449 131361 214802 149395 739930 528520 129751 147341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PE(O-16:0/16:0) 83729 79971 96533 68648 73323 82908 79357 66378 1 28226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99986 90716 56404 82768 52396 92031 PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi-18.137074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106840 110979 1 27711 29647 67768 80385 422493 12855 208787 1 88177 25175 120341 58207 42337 PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 1 1 1 1 1 1 1 1 1 1 26639 86858 42211 121578 105348 39015 124359 72109 233962 36739 36109 155863 113606 87876 1 42988 34660 85308 77439 46763 1 1 1 1 1 1 PE(O-18:0/0:0) Esi-15.567857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1476791 4020540 810860 1445536 177619 2120969 837714 153976 1 387445 101920 1 3163003 2627571 2578393 3523679 PE(O-18:0/0:0) 824229 481758 463119 423176 752339 357430 242657 381669 560133 153504 491026 226038 334999 372404 352439 498985 282985 195144 233624 281015 1 1 1 1 1 1 1 1 1 1 348650 363852 433508 420863 378915 454654 PE(P-16:0/0:0) Esi-15.062601 1 1461757 1 1241868 1 1 1550185 1149501 1401675 955726 1 1 1 1 1 1 1 1 1 1 1391310 1009600 1732448 931032 1075591 1 957954 819861 1050873 908042 1 1 1 1 1 1 PE(P-16:0/0:0) 1744963 1240502 1993768 951771 1297256 631100 1108443 1091005 984981 1 1350047 920814 1731372 1105450 1264450 1173898 1023916 681393 771591 1051829 80446 1015447 217652 53513 12721 1035767 42712 77579 979349 81576 1213189 1201188 1269951 1130725 1199408 1031565 PE(P-18:0/0:0) 1804292 738681 837125 928137 1329720 731384 1 795774 1 414261 1215315 644289 1491721 690548 783419 925475 650769 741886 1 880515 1420069 1498959 1217219 644651 740516 1009533 782774 800131 777193 503872 1 729422 954799 958262 992163 1035995 PE(P-20:0/20:3(8Z,11Z,14Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51840 126051 397206 1 1 1 84927 1 1 1 1 1 1 1 1 PE(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) 121762 87945 80842 36190 78810 94765 19736 12561 63064 73093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72064 120740 57143 13683 60434 PE-Cer(d14:1(4E)/16:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 705299 634222 621950 220319 677731 1 410300 585360 250673 341460 1 1 1 1 1 1 PE-Cer(d14:1(4E)/18:0(2OH)) 1 1 1 1 1 1 1 1 1 1 520677 385713 1857889 435675 335432 848904 357106 305166 300649 1018432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PE-Cer(d14:2(4E,6E)/16:0(2OH)) 1 1 1 1 1 1 1 1 1 1 215080 209356 167042 158661 139768 147332 167761 178073 165194 165957 439438 542431 779255 631046 535304 452044 441941 477482 494538 413998 1 1 1 1 1 1 PE-Cer(d16:1(4E)/16:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56159 26648 19615 1 28929 17684 20377 1 1 10820 1 1 1 1 1 1 PE-Cer(d16:2(4E,6E)/16:0) 193616 76034 245233 132132 224201 182926 160920 77195 78403 70313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135558 174265 96177 106459 91767 1 PE-Cer(d16:2(4E,6E)/16:0) Esi-18.225002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132633 84739 81573 152139 88419 104106 76255 82209 90778 73573 1 1 1 1 1 1 Pederin Esi-13.51 1 1 1 1 1 1 1 1 1 1 7886597 4038875 915094 7784437 5269094 106734 425959 6172285 6851248 7998101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pederin Esi-13.385335 728914 868333 5467472 530474 5655021 251162 4500713 651497 247536 125132 898212 455282 3277900 1039949 852968 1122928 2947118 541886 581832 1069740 510161 907172 911502 920173 658838 1181997 615646 610891 644738 264604 1 1 1 1 1 1 Pederin Esi-16.31723 2805444 1022892 3366284 853658 3149154 1628229 2620765 1514315 1426873 837863 1 1 1 1 1 1 1 1 1 1 1915670 1084888 2165622 1310407 1023596 1215513 1168607 980111 1080768 1311433 1082354 1171404 1218224 1200941 1274601 1151463 Pederin Esi-14.612331 1 1 1 1 1 1 1 1 1 1 2492064 1545473 2820802 2756653 1806390 1676370 1307866 1288824 1608531 1816738 2476933 974754 2712123 1 2053958 1 1193146 1143438 1553832 813130 1 1 1 1 1 1 Pederin Esi-15.964503 471208 176755 216106 176990 337142 236863 289462 254221 201672 111983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247326 449559 308784 249965 255323 318674 Pederin 5915657 7676049 808310 3545498 4173475 6625004 3044426 6732705 4100831 5248115 7909807 4039112 915094 7784331 4981995 8542413 428027 6201308 6281717 8011914 7439954 8923119 4737623 8403186 3495716 4957409 5904449 6579722 7673377 4749121 5504821 5525129 5527555 8585118 8772843 8232240 Pederin Esi-16.318275 2805444 1022892 3366284 853658 3149659 1628229 2620851 1398082 1426959 837825 2321536 1162933 2120264 1326536 1435134 1785262 1024495 965380 1138248 1398467 1999367 1085447 2196043 1338348 1023197 1121458 1139533 979332 1088393 1313506 1082354 1171331 1218224 1200941 1273951 1151597 Pederin Esi-14.62 1689522 968314 1275606 1733523 1343076 2002350 942522 1728546 1182546 902874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pencycuron 64205 28938 90133 25361 1 34662 35402 24043 37443 35368 67616 20803 72092 36750 40962 44447 26327 39568 25308 31625 105162 30225 105645 56207 43237 52686 57879 31264 26604 43608 36941 38426 70930 65646 75580 73456 Penicilloic acid of 5-OH 1 1 1 1 1 1 1 1 1 1 88931 89005 73386 1 50220 54834 85360 1 18219 26097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pentacarboxyl porphyrinogen III 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6087 1 64739 3846 1 1 7323 1 1 1 1 1 1 1 1 1 Perakine 112968 195415 42361 78621 92849 1 144987 38857 84780 23829 60698 92644 69869 43679 11649 84235 201540 21250 377593 117884 64190 181930 21646 21449 119537 80523 33326 23912 47613 62621 88337 85453 83409 94179 94542 94259 Perazine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102354 1 40938 1 1 1 1 1 1 1 1 1 Perfluoroacetyl chloride 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269632 1 1 1 209223 241128 272071 89091 263382 320278 1 162312 183745 225251 1 230590 Perfluoroacetyl chloride Esi-0.8309999 1 1 1 1 1 1 1 1 1 1 142634 1 154730 126164 1 258321 195408 274719 171533 304537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Perfluorooctanesulfonic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64289 22899 1 14906 43763 60183 13048 1 13534 32887 1 1 1 1 1 1 Pergolide sulfone 44883 5626 72201 67268 58125 19917 48940 12216 55543 14841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pergolide sulfone Esi-10.179499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111654 18654 55509 67892 107145 78399 25950 162389 119910 38659 85468 47073 47095 53090 128311 31987 Periandrin V 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110171 96154 14618 23785 26738 9685 Periciazine 216624 141151 235338 264980 384963 410977 326056 375405 187875 28544 148525 184196 162666 163123 99073 90856 174645 225625 131921 129763 162847 192644 224564 128368 145797 128465 111864 156618 137375 102142 261564 382259 61433 225171 213001 148572 Permetin A 3036145 4058238 378173 5476968 2245327 9737989 1.03E+07 7689049 6660215 83088 527733 3544498 543326 4310876 4142622 4517559 3289854 2817596 3286050 3736840 4476964 2817185 4017221 3536547 3341016 4094283 3113335 2578121 3148946 2764457 3426587 9266877 4324184 3988463 4175248 3958979 Permetin A Esi-16.517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 941358 825512 855046 857396 Perphenazine 1 1 1 1 1 1 1 1 1 1 7777 14572 12401 12773 1 1 17418 11372 41909 16801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Petasitenine 215762 125243 221634 85342 297207 453014 416844 187825 99351 61532 221104 239747 188127 231221 1 179742 231682 234296 234411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Petromyzonol 1 1 1 1 1 1 1 1 1 1 48484 64749 107739 65786 34504 33501 53387 64975 42497 60957 78528 72669 119015 1 125899 81554 113020 113739 62867 78399 487279 426134 30966 49590 50468 64164 PG(12:0/16:0) 29558 256188 321538 318326 484511 376221 415771 296526 351054 250723 365703 324832 69603 264830 237253 274994 318901 178548 266659 335205 1 1 1 1 1 1 1 1 1 1 68061 195398 296430 203113 337300 321919 PG(12:0/17:2(9Z,12Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 104856 1 58991 73437 74254 3884 69168 82050 42094 1 1 1 1 1 1 PG(13:0/20:4(5Z,8Z,11Z,14Z)) 26456 32364 37004 20560 24090 21011 27905 29434 29471 21482 1 1 1 1 1 1 1 1 1 1 22374 28298 35227 27224 28899 29875 21176 16877 21950 20492 25013 24651 27950 29024 28305 31033 PG(14:1(9Z)/12:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40520 14226 11656 1 2830 1 PG(14:1(9Z)/14:1(9Z)) Esi-23.622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87496 59126 1 24682 124810 1 PG(15:0/12:0) 1 1 1 1 1 1 1 1 1 1 139467 56770 4923 111409 50636 59471 77550 44628 24920 89794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PG(15:0/16:0) 654069 297179 236083 315576 264316 416291 356085 286786 279408 270384 268074 248898 269118 353424 363511 291759 308275 224672 233377 203101 143912 161648 366391 337450 190673 161143 184912 118479 134071 92930 1 1 1 1 1 1 PG(15:0/16:0) Esi-10.005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36140 40723 37363 37924 32097 42935 PG(17:1(9Z)/22:2(13Z,16Z)) 1 1 1 1 128691 80495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PG(18:1(9Z)/0:0) 1 1 1 1 1 1 1 1 1 1 202655 209236 95895 66427 61003 118859 176423 114961 225683 147627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PG(18:4(6Z,9Z,12Z,15Z)/12:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50053 1 140237 201589 195467 204203 PG(20:0/0:0) 529604 791909 1252148 677552 807410 1140852 946796 716600 982828 580416 867794 652502 1564774 871624 1302472 6731366 553437 806556 560951 1209741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PG(21:0/0:0) 1 1 1 1 1 1 1 1 1 1 2321 18521 1 12042 16825 81965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PG(22:1(11Z)/22:0) 307318 296691 533764 245930 367337 335714 360660 253680 363240 308740 540585 289661 577291 330177 236782 346162 234972 248316 251080 386067 742490 395612 795377 163903 279074 351347 366728 364728 163286 246245 203189 313929 413846 223147 477966 563503 PG(22:2(13Z,16Z)/0:0) 596257 562930 736523 738747 1 953427 781079 614464 697525 1411018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0) 152279 127278 228187 174454 114393 122145 107430 159688 107690 115805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119892 94372 134585 137308 156230 125621 PG(P-16:0/18:4(6Z,9Z,12Z,15Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200328 216031 352265 244256 246599 195087 231146 168304 215161 220904 1 1 1 1 1 1 PG(P-20:0/18:3(9Z,12Z,15Z)) 1 455297 1 1 1 1 1 596554 1231694 1134447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PG(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 66669 1 1 36669 10941 29863 55547 30135 1 24571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PGF2?-11-acetate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25133 1 254006 38121 1 1 25153 1 1 1 1 1 1 1 1 PGF2?-11-acetate methyl ester Esi-19.169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177282 93651 182831 152627 183601 PGF2?-11-acetate methyl ester 1 1 1 1 1 1 1 1 1 1 182216 213118 234796 166312 106580 179776 177647 237374 1 153721 213178 168547 208912 144367 121555 182721 120284 198191 199335 60212 1 1 1 1 1 1 PGI2-EA 15622 38175 1 22758 24912 1 15981 28068 50155 75981 89967 91185 83119 72824 71284 62420 90492 112393 64818 85526 103369 72252 117910 66314 69907 86851 70021 85360 110780 32856 4295 1 72309 79655 75078 71175 Phaclofen 534648 527109 359527 333956 272777 511420 534848 536128 538930 335858 518728 536026 548947 387717 562993 248506 562039 110786 586598 531528 518049 570760 264074 119340 558083 568648 75850 605026 553975 548359 490054 374331 536340 352502 553745 517636 Phalaenopsine T 78368 49247 48092 46236 12276 13731 42453 25832 39970 66027 43664 37926 64662 29212 66588 48598 31334 96605 45334 43053 34386 38669 41800 65299 112008 14317 36660 35299 27355 29729 103230 48003 59001 54459 52080 42438 Phalloidin 1233603 321370 678316 691850 552966 561466 315567 458238 551158 407503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Phe Arg Arg Esi-13.385848 161237 139795 260754 113415 151731 72734 100419 88286 103664 190353 1 1 1 1 1 1 1 1 1 1 164087 154763 430233 429025 294021 238746 190754 234800 204571 171091 153831 498340 532921 235887 259948 269407 Phe Arg Arg Esi-13.995496 1 1 1 1 1 1 1 1 1 1 1.86E+07 1.25E+07 1.57E+07 1.76E+07 1.46E+07 2.63E+07 1.48E+07 1.42E+07 1.24E+07 2.01E+07 2.39E+07 280897 3.50E+07 2994564 2.21E+07 94755 1.69E+07 1.83E+07 1.70E+07 6913723 1 1 1 1 1 1 Phe Arg Arg 1.75E+07 1.68E+07 2.19E+07 1.63E+07 2.56E+07 1.35E+07 1.90E+07 1.29E+07 1.58E+07 1.27E+07 2.46E+07 1.65E+07 4304066 2.50E+07 1.98E+07 1392323 1.90E+07 1.90E+07 1.59E+07 307239 1.88E+07 1.46E+07 2.62E+07 2.08E+07 1.68E+07 1.86E+07 1.30E+07 1.37E+07 1.36E+07 5452320 2.15E+07 1.78E+07 2.10E+07 2.06E+07 1.78E+07 1.95E+07 Phe Arg Val 61095 5222 4112 21438 46240 1 55411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Phe Asp Asn 78075 29863 113107 85309 21863 56321 19774 52923 37279 76514 1 1 1 1 1 1 1 1 1 1 54899 32897 71853 50468 27633 35757 38069 1 53115 1 1 1 1 1 1 1 Phe Cys Lys Esi-19.116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249336 1 35291 1 1 1 Phe Cys Lys 2052744 801913 2101157 1812395 690524 1123803 978728 871783 767019 750534 1103474 927077 1051387 1061803 1293535 712671 1110347 1148033 1165799 820895 890864 906016 1806122 1184849 1111504 777430 1277728 856983 852326 1083497 1663300 918598 891432 857464 877056 895143 Phe Cys Trp 390096 222973 465410 207614 293497 290273 274439 180692 298011 250013 1 1 1 1 1 1 1 1 1 1 233716 232766 402898 206195 289132 143897 161220 105868 207834 106761 1 1 1 1 1 1 Phe His Glu 1 1 1 1 1 1 1 1 1 1 1 1 223589 1 1 156200 244400 1 1 1 1 1 1 1 1 1 1 1 1 1 268862 428643 485457 505051 462718 481527 Phe Lys Lys 1 1 1 1 1 1 1 1 1 1 158843 144129 163408 200897 167006 141907 162177 179260 158986 185575 1 1 1 1 1 1 1 1 1 1 202062 218494 223446 217144 227985 228882 Phe Met Phe 1 85407 1 1 1 1 1 128708 108156 59496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Phe Pro Glu 1 1 1 1 1 1 1 1 1 1 28732 4324 29463 58480 56386 152868 32575 14010 40981 1 58215 131142 25835 1 37736 60675 1 18928 39545 77324 23742 1 55300 33445 26875 17611 Phe Trp Leu 77295 1 58442 29774 122955 96020 73141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Phe Trp Trp Esi-14.903789 1 1 65870 20819 39932 1 20039 15073 27230 1 37850 16738 35832 26136 10953 29824 7856 7441 16462 12951 20365 15731 1 20019 14565 20455 1 5396 16732 5784 1 15834 9843 22478 11351 1 Phe Trp Trp 851723 873325 1034051 1293036 285461 848515 1040645 773270 844525 843256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Phe4Cl-Nap-OH 1033033 48159 942788 760932 814941 742943 737768 253851 99767 49327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128005 111010 4128 1 1 2871 Phe4Cl-Phe4Cl-OH 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48669 1 1 48744 Phenanthrene-4-carboxylate 1.06E+07 158253 1.20E+07 3235092 1.07E+07 1.40E+07 1.52E+07 596672 105383 6001870 1.46E+07 1 3732324 2227592 38193 817986 6242484 29269 1 2833327 1.36E+07 1 2.09E+07 1 1 1 1612442 1 218145 231076 8392748 1.18E+07 6571687 1.15E+07 1.19E+07 1.24E+07 Phe-Nap-OH 435620 45791 415661 350415 368828 495533 241626 144066 69081 46269 47445 11433 22998 26445 1 18153 21043 18228 18223 1 1 1 1 1 1 1 1 1 1 1 431827 234775 1 27405 33629 27143 Phenisopham 276962 76894 210651 142685 237700 225003 125724 103853 84890 82553 107631 91447 89307 78897 56566 84049 85149 70813 67587 66162 78077 83417 79007 92081 66913 73033 76850 72582 72200 48989 214475 121976 87292 78410 66649 73164 Phenmedipham 191308 31741 47580 180371 61889 201029 149428 184762 81064 50928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232322 233110 44978 32333 29413 27266 Phenyl sulfate 1270645 1 505506 590652 137682 501871 414624 685870 756282 298053 717997 1 1236466 888934 517465 719878 1 1099410 397547 1 760319 1 928881 1063170 368059 217254 522774 562033 1 1.11E+07 746855 805953 844897 750913 828288 808090 Phenyl vinyl sulfide 1146454 4690515 1944417 4212250 3912146 489008 3057363 3777537 3653633 493679 1166412 1541391 5421524 4215299 3565855 4066931 2692066 5085289 3793334 3344860 2976823 1618186 1.01E+07 3166856 4608528 4721561 502093 484938 1064514 1172697 1 1 1 1 1 1 Phenyl vinyl sulfide Esi-0.77684623 2809497 4460364 324521 1623630 3422692 975805 1855831 3725154 3905113 1933547 1172763 2155912 2566531 4219414 4006657 4305145 3411323 3334800 3288977 3739881 1 1 1 1 1 1 1 1 1 1 439461 569143 3592257 4487685 1109766 471879 Phenylamil 77779 1 36743 158781 1 149248 190445 1 1 36477 1 1 1 1 1 1 1 1 1 1 88125 200372 245506 191941 139478 101331 36315 207988 161917 125995 103204 105217 51860 319936 48831 454653 Phenylephrine 3-O-sulfate 1 1 1 1 1 1 1 1 1 1 20113 78820 45708 39970 28009 107910 9161 44282 73589 42385 16552 110681 1 34783 42424 60217 54636 15741 9014 38226 1 1 1 1 1 1 Philanthotoxin 1.34E+07 1.08E+07 1 7656607 1.95E+07 1.44E+07 1.84E+07 1.31E+07 1.44E+07 8131996 1.92E+07 9740651 1.68E+07 1.15E+07 1.12E+07 1.44E+07 8369236 6702752 8724847 1.19E+07 1.55E+07 9170681 1.75E+07 9952806 7597746 8945315 9362317 7366856 8724962 1.05E+07 6506627 7315326 1.39E+07 1.35E+07 1.30E+07 1.28E+07 Philanthotoxin Esi-15.965054 3968722 1088381 1585091 835218 2671383 1348221 2053127 1340315 1462164 862094 2917457 1046959 2751561 1174497 1165508 2120922 897132 719553 1013763 1240582 2083834 894154 2362811 949115 823477 989175 993054 904240 1038584 1143267 1744521 2232197 1467409 1484226 1325436 1140383 Phlegmarine 365604 324308 684015 215388 243526 622909 403517 390647 292377 592277 437412 378911 375539 420899 315573 217066 441917 499036 313212 289863 428213 289772 1014425 494289 398709 297602 279172 305066 309750 239814 351788 373176 443279 450184 463445 444539 Phlorisobutyrophenone 2-glucoside 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120772 133705 130238 132187 133177 137540 PHOME 77899 88927 73712 79305 9885 151910 31238 110547 50806 94823 21182 71587 67343 68356 45239 48821 61805 87383 46324 50337 34850 62275 159570 84368 73511 40404 56879 77093 15623 59514 68384 138526 89721 67379 93325 80541 Phoslactomycin B 256123 281614 278557 247536 243897 135845 212533 107002 243782 159942 373173 242134 30557 342951 229248 295322 254403 227451 259107 296161 219093 222499 415922 423543 261942 332827 224544 183933 206260 192670 122637 226338 366396 200626 306041 303143 Phoslactomycin B Esi-13.793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122644 222979 366027 200915 291495 304726 Phosphatidyl glycerol Esi-1.2580001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14583 9566 88422 1286 60551 48519 37011 67381 22347 43971 1 1 1 1 1 1 Phospho-L-serine 892337 252012 403065 837668 616435 1065125 360742 505684 327891 508392 842577 323509 283966 443322 286836 438335 593559 599510 299845 533510 873366 383344 681955 267353 424080 258251 729519 456467 376357 280050 656347 580413 745069 698031 802092 680589 Phthalazinone pyrazole 805238 762141 883853 922507 867489 1153416 815663 1005887 954023 1167841 673978 798038 749816 843187 821320 840987 818009 875306 873094 888558 884540 815398 758335 819568 835961 747632 889416 929294 946732 948145 850514 804635 825758 848346 820829 823518 Phthalic acid Mono-2-ethylhexyl Ester 6963809 6929231 6800362 7261315 6663335 7530679 7135833 7355889 6762845 9462893 7107113 7260747 7227917 7001465 7288876 6918751 7356887 7844635 7604269 7126281 7542116 7341670 7580640 7291436 7318831 7276568 7956942 7674018 7495019 8238678 6927138 7079665 7251913 7433843 4574710 7345320 Phthalic acid Mono-2-ethylhexyl Ester Esi-22.013496 19129 458421 3888 3967 5130 1 10861 207003 221018 8918 1 1 1 1 1 1 1 1 1 1 51364 236795 17081 42580 10728 1 1331 13642 16554 3084 1 1 1 1 1 1 Phthalic acid Mono-2-ethylhexyl Ester Esi-21.041466 1 681886 1 30392 28541 1 8081 293005 393047 30530 1 1 1 1 1 1 1 1 1 1 1 399476 8845 38446 57815 30775 23107 61481 14282 1 1 1 1 1 1 1 p-Hydroxyfosinopril Esi-14.575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 866917 579940 798743 741787 653555 723079 p-Hydroxyfosinopril 285949 278925 146645 200876 183718 296480 293027 202190 275119 330311 230801 303872 163067 255279 181722 187768 261775 257109 258919 270910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 p-Hydroxygliquidone 1 1 1 1 1 1 1 1 1 1 46299 35750 57387 59061 1 73056 22895 42888 33567 39816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 p-Hydroxytiaprofenic acid 95941 60911 155965 110638 74673 115091 119913 58788 62751 183010 66626 64408 62757 1 53991 102907 80414 58824 49766 70061 110764 72710 213890 48831 40188 54861 100044 1 62370 43464 1 1 1 1 1 1 Phyllanthin 1 1 1 1 1 1 1 1 1 1 169454 160139 185235 190842 189087 117063 148332 115330 158608 150396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Phyllanthusol A Esi-15.091001 1 1 1 1 1 1 1 1 1 1 1 63101 34301 1 1 1 46328 66744 1 80309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Phyllanthusol A 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83574 141832 19414 29810 74990 108993 113342 72143 41486 62763 1 1 1 1 1 1 Physalolactone 84153 184162 268488 108883 70091 66823 168779 64361 87706 46336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Phytenic acid 31489 11669 29559 33855 38713 34999 26949 17899 14659 6943 1 1 1 1 1 1 1 1 1 1 10475 11688 24154 21228 12527 14014 7419 8628 6719 10212 1 1 1 1 1 1 Phytyl phosphate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52694 178377 1 1 1 1 PI(15:0/17:1(9Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79581 148227 1 1 1 1 1 1 1 53285 1 1 1 1 1 1 PI(16:1(9Z)/0:0) Esi-15.032 1 1 1 1 1 1 1 1 1 1 3904 151313 78714 127869 95771 99682 93574 209155 207103 173811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(16:1(9Z)/0:0) 83458 117485 96298 103949 57417 111110 69691 100649 86743 216380 87901 93626 86716 50630 70248 41483 55669 105725 55072 118833 136554 148249 255781 141619 106289 132698 163608 201460 70516 112318 195074 36500 78162 158840 1 1 PI(18:0/0:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394803 356141 327974 347518 439592 283034 298471 332694 296276 150761 1 1 1 1 1 1 PI(18:0/22:0) 1 1 1 1 1 1 1 1 1 1 1 333067 347676 360907 345383 300182 204558 308003 196118 367843 371744 1 259294 516427 369655 335192 1 1 1 1 1 1 1 1 1 1 PI(18:0/22:2(13Z,16Z)) Esi-15.679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99729 1 1 137410 40102 12335 53130 349857 1 1 1 1 1 1 1 PI(18:0/22:2(13Z,16Z)) 1 1 1 267531 445018 382658 1 370465 1 206374 489383 189162 576664 375147 290883 309795 295989 259451 283970 275491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(18:1(9Z)/0:0) 59510 296375 43682 58799 97049 95143 23060 72867 378417 1 24760 49314 429008 388260 328700 281531 260019 336841 213103 291543 1 1 1 1 1 1 1 1 1 1 53078 659348 291533 40973 270020 321089 PI(18:2(9Z,12Z)/0:0) 265733 1 1 1 1 1 1 664977 1 441183 1 1 1 1 1 1 1 1 1 1 57214 192453 359874 50112 51047 124385 309406 171219 92900 308945 1 1 1 1 1 1 PI(18:2(9Z,12Z)/0:0) Esi-14.804 1 1 1 1 1 1 1 1 1 1 337950 1 496011 1 692251 157696 157718 343673 78055 57427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(18:3(9Z,12Z,15Z)/0:0) 1 1 1 1 1 1 1 1 1 1 265005 192674 189710 206894 151591 210304 190248 341344 265653 207121 163556 300638 123275 256845 134596 214018 245192 231099 137812 362974 1 210065 216312 102213 194160 250192 PI(19:1(9Z)/0:0) Esi-15.002001 488992 50225 97850 484486 80930 352698 277439 197341 119497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(19:1(9Z)/0:0) 963104 163496 615206 1524144 872205 1229781 1424740 175700 292464 1277110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(20:1(11Z)/0:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91452 131094 49887 66112 80777 120168 49066 66195 94081 48103 1 1 1 1 1 1 PI(22:0/19:0) 100972 51532 120342 79616 41997 51774 60268 53488 42540 57685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124165 1 169209 1 167235 361461 PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-15.244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139622 1 318128 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 6279512 4848378 6659831 5493195 6003929 5645136 5680756 4927907 5295276 4569855 1 1 1 1 1 1 1 1 1 1 1286794 4399042 4114363 4324222 4379501 2464164 4360496 3464373 3164106 4623078 2450534 5749604 4874405 4804530 2214414 4776699 PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.567055 1735549 1208263 2027474 1372582 1969396 1410594 1319398 1320139 1522431 1 1602585 1212170 1641565 1496041 1141125 1540210 1097419 887651 1142623 1285221 1250049 1069379 1240197 611121 1123118 1456522 1011592 863334 1174155 1101182 1624139 1652876 1432983 1406214 1319541 1368813 PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-15.258001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24124 1 442313 486378 366249 32569 269807 1 456630 124633 1 1 1 1 1 1 PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.902002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260035 4332345 4114363 4520757 4369420 2474366 4254770 3464373 1378557 4625805 1 1 1 1 1 1 PI(O-16:0/0:0) 1 1 1 1 1 1 1 1 1 1 890409 758295 1016288 1087715 1088539 1377168 827995 560650 630099 815293 362220 999138 1374933 1468471 1200847 1422626 1142679 982560 1093065 679904 1 1 207163 228668 119104 175572 PI(O-16:0/17:1(9Z)) 1 104513 61831 1 1 11874 24366 1 80648 118306 100787 1 1 133523 119811 1 1 1 1 103220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(P-16:0/12:0) 1 1 1 1 1 1 1 1 1 1 574458 675038 868108 569390 472629 144332 416887 606800 504615 309059 772470 353822 494000 290708 616625 752169 512644 593966 404715 148359 568565 63072 87658 442008 678070 146900 PI(P-16:0/16:1(9Z)) 1 1 1 1 1 1 1 1 1 1 62030 86742 51105 58217 38505 69013 59208 1 54359 53634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(P-16:0/16:1(9Z)) Esi-18.521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234259 248964 317784 397901 1 386286 PI(P-20:0/20:4(5Z,8Z,11Z,14Z)) 258450 212778 260780 150171 571005 123497 236343 69877 229298 1 1 160532 1 199017 186572 303065 1 142133 1 300029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(P-20:0/22:4(7Z,10Z,13Z,16Z)) 555909 135754 639312 295282 763278 274637 288544 260936 300891 122918 295317 218198 302185 202488 164167 329026 128523 150892 169639 264619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PI(P-20:0/22:4(7Z,10Z,13Z,16Z)) Esi-14.531585 278123 138675 616097 181347 724853 246886 198114 275411 1 1 1 1 1 1 1 1 1 1 1 1 257418 274292 258523 172174 175097 261058 152453 151108 236652 136201 404685 329202 273876 204004 245070 252343 Picosulfate 79031 133341 36285 25671 67442 52136 30044 25959 82727 111640 1 1 1 1 1 1 1 1 1 1 26418 139392 41332 147533 92054 79050 24460 64394 45803 44384 31026 96335 1 71972 1 78179 PIP(18:3(6Z,9Z,12Z)/18:1(9Z)) 748907 459456 1956797 880369 548957 705748 806786 886170 612111 685786 1 1 1 1 1 1 1 1 1 1 1012573 223761 1362493 1483779 810787 584333 695211 633881 658022 347637 1 1 1 1 1 1 PIP3(18:0/18:1(9Z)) 1 1 1 1 1 1 1 1 1 1 1022417 937883 1021575 825878 365753 625699 846158 410670 375883 962149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pipazethate 84387 64339 116255 123047 117478 1 120124 132272 35011 28472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Piperochromenoic acid 179216 1 231332 103417 108689 106469 60256 24044 1 44410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Piperolactam C 53279 29521 1 15492 61929 8882 43104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Piperonyl sulfoxide 1 1 1 1 1 1 1 1 1 1 3665790 2677767 3871315 3113407 2742532 2831091 2796916 2730466 2703979 3070897 1 1 1 1 1 1 1 1 1 1 755600 2093515 3321198 1448858 3278335 3258488 Pipobroman 55433 1 1 25894 63459 363296 135248 1 1 1 1 1 1 1 1 1 1 1 1 1 219991 1 315551 1 1 1 51929 1 1 4785 1 1 1 1 1 1 Pirimiphos-ethyl 1 1 25971 1 1 15265 16831 107357 133479 107759 64422 87229 66589 1 32792 18294 61852 78026 56299 36253 41134 39060 91963 91720 55433 44790 51774 46710 50979 21068 1 41401 84491 55752 46024 47988 Piscerythramine Esi-15.218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33107 1 1 79981 1 23708 49561 1 1 41470 1 1 1 1 1 1 Piscerythramine 91615 67296 98955 124267 60793 111742 108767 111506 67680 102262 51598 23274 61504 67496 73485 26631 52962 65896 1 37419 15490 28281 158808 13953 52078 5429 13562 31622 33012 10941 78837 25414 63133 75579 72581 67036 Pivmecillinam Esi-8.838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36956 1 1 1 1 2348 8353 8529 1 1 1 1 1 1 Pivmecillinam 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42325 1 46741 60052 22295 1 35826 36123 38060 58322 1 1 1 1 1 1 Platycodin C Esi-14.201999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60132 79045 77878 61625 67742 54142 Platycodin D 1 1 1 1 1 1 1 1 1 1 119863 127296 1 97900 1 236553 194913 1 147087 121647 1 1 1 1 1 1 1 1 1 1 217666 119520 154027 128549 121967 113513 Plitidepsin 1 1 1 970821 813795 1085101 853647 947525 673143 1 1 616403 1 955667 838302 922685 858696 1 1 962706 923997 932735 830542 868353 830158 887116 787803 860212 885122 731687 1002825 1030633 934687 1 883724 875287 Plocamene B 1 199970 171245 492179 285577 247273 541053 408431 161827 4690 281987 230542 198628 189333 253402 141161 183912 228582 151781 10560 252265 146384 416066 323737 25398 66305 97627 185979 311442 81305 177101 320984 34140 120696 11250 402425 Polysorbate 20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10664 135140 13614 1 21861 41599 40038 14378 13706 36627 1 1 1 1 1 1 Pomiferin Esi-15.308001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4299121 4562256 2606255 5054735 5016166 4221379 5330370 4041538 4392501 4776108 1 1 1 1 1 1 Pomiferin 6964151 5597336 6883137 5668951 4060700 5587631 4742441 4620062 5028675 4783223 5898998 4710580 5926330 5571807 6232310 4734067 5347317 5469051 5217800 4643639 4298959 4562256 3859024 5054735 5015298 4221355 5330728 4041538 4392501 4776108 6023747 4754509 5732265 5583270 5295307 5332318 Ponceau SX 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33368 1 145208 19857 1 1 8240 8789 1 6630 1 1 1 1 1 1 Posaconazole 104552 1 51404 90089 93862 42040 38307 1 2028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97228 18608 1941 1 1 1 Pramipexole 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8014 19852 1 1 1 24815 12563 9111 4668 1 1 1 1 1 1 Prazepam 384309 701005 1498992 941069 20852 344609 1030469 877172 627327 579323 576993 36464 698261 492222 544926 378758 807368 1103226 565036 471620 764793 294102 3240558 818799 711394 505461 372336 747567 669007 701424 1008526 1017023 755405 649106 746945 894825 Praziquantel 432575 51167 247977 300258 299203 286615 186463 116839 103228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361588 134373 1 36394 1 29257 Prednimustine 1 1 1 1 1 1 1 1 1 1 191883 1 27944 1 136183 1 61060 184251 1 185493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- Esi-16.603848 1 1 1 1 1 1 1 1 1 1 1 7614 45203 1 1 1 9780 1 23131 1 30552 11921 62147 37618 1 18435 15694 24803 19862 23758 1 1 1 1 1 1 Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- 1 61878 1 25664 57886 79001 66369 54855 25636 85547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pregna-4,16-diene-3,11,20-trione 1 1 1 1 1 1 1 1 1 1 23171 117575 213746 137894 123513 120245 122682 102603 123657 133401 224879 134411 205129 99748 110130 133929 85821 109963 68374 108205 203553 85898 169514 91214 160226 174287 Pregnenolone sulfate Esi-18.647598 1 1 1 1 1 1 1 1 1 1 78503 91945 149370 123513 109003 205210 97211 89442 67668 152455 117913 154512 41068 59247 80070 142151 72729 151677 92884 83534 35103 1 95711 105264 113810 99103 Pregnenolone sulfate 196000 180045 136978 199302 216091 319448 185503 89886 115659 128289 172929 339310 182386 277079 164583 195508 219206 285223 172420 202710 173045 303103 575235 308223 205992 196993 202474 270529 191989 185531 196210 208321 229586 296059 255419 254963 Prekinamycin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33614 36202 8367 1 1 20914 Prieuranin Acetate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106011 1 1 1 1 1 Pro Arg Ile 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28358 1 83267 1 1 28691 1 7045 30211 1 1 1 1 1 1 1 Pro Glu Glu Esi-18.266575 1 1 1 1 1 1 1 1 1 1 782836 965620 477043 920651 1003591 498026 614237 468484 939565 1007559 404230 524506 384589 559122 550053 480583 612129 606577 971375 988507 182375 1 1 1 1 1 Pro Glu Glu 235650 710095 1 244711 1 318377 380810 635330 578937 569220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363467 549039 511889 543435 Pro Glu Trp 1762538 1 1744032 1367964 1609190 1783885 1670257 1 1 2182835 1165425 1730551 1442965 1811174 1053130 1408975 1951990 2202816 1749406 1587832 1703852 1203022 2218887 1760760 141515 1001567 1690256 739479 979790 1545207 802029 531757 1542079 2241314 1838938 1674158 Pro His Arg 709223 889612 147408 266522 300404 78513 766053 206267 224023 38173 285468 251515 170239 281270 50015 397012 776201 20974 1039637 390920 321365 503011 79427 179812 361451 310403 192145 63479 217115 112211 1 1 1 1 1 1 Pro His His 1 1 1 1 1 1 1 1 1 1 312212 391718 330507 455383 392636 393409 406920 374446 388411 417867 465480 395192 449504 569715 427061 430441 430899 346947 416216 381722 21925 108603 332541 476157 464677 463779 Pro Ile Lys 352438 231473 1 1 1 246393 251761 1 180664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pro Lys Gln 33890 86042 62713 12137 49375 52690 23037 46816 71285 71522 119903 90539 87453 72076 109480 91277 123347 88013 132501 79632 49663 86189 172134 120203 101023 83705 105919 54839 86102 28368 47969 74358 102767 116270 76965 111814 Pro Lys Thr 388282 268246 130620 33239 106483 244565 167527 133923 125101 104831 93845 125142 170449 258115 131520 197481 130101 56705 214280 204662 106456 241915 352237 193689 216902 17356 93493 100095 51824 114551 1 1 1 1 1 1 Pro Met Thr 149151 1 1 94040 127497 1 1 1 1 81057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367768 771917 127991 314916 152563 280815 Pro Met Tyr Esi-18.5 1 1 1 1 1 1 1 1 1 1 564461 985809 762553 986144 948802 1109505 1011416 1267896 888789 989068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pro Met Tyr 1 1 1 1 1 1 1 1 1 1 956483 1230829 958346 1221062 1226203 1072510 200604 1381189 1267677 324408 933408 1518098 1185033 1162448 1443805 1014568 1155022 1379371 1234321 1359117 331729 1 945925 1316810 1341448 96683 Pro Trp Tyr 1 1 1 1 1 1 1 1 1 1 77345 61744 170799 52607 1 1 151497 164901 79578 152740 1 1 1 1 1 1 1 1 1 1 8065 137244 108402 161032 27262 1 Pro Tyr Ile 305156 169739 177349 213021 226408 162982 174581 197783 71687 220151 231968 153592 343382 150792 229546 211883 188946 199244 221860 151953 289591 242062 233559 172197 208823 189881 221167 211766 212779 201361 251736 198157 262664 263490 263987 213967 Proansamycin X 1 1114329 1 1 1 2726860 2025829 1855808 1812933 1538414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Probenecid 58803 58392 112153 69550 65344 92759 114797 59576 61374 58724 55052 85702 60144 49255 56118 55115 80515 86172 76734 51901 26720 74783 96971 56292 79597 84401 96580 35709 70930 46647 1 1 1 1 1 1 Prochlorperazine sulfone 1 1 1 1 1 1 1 1 1 1 224087 177326 119463 1 200959 179933 200660 151313 184200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Prolyl-Cysteine 51046 36807 40749 46980 34942 72460 35805 50601 48264 54893 46848 62307 44296 44619 40469 36151 49794 51468 40234 45441 35992 59652 60102 37484 54351 55515 33604 40973 49840 40311 55581 52337 52587 50927 55638 63073 Prolyl-Methionine 48539 40042 46791 49905 27008 66020 38711 37901 39215 50838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Promethazine sulfoxide 1433738 1748998 1455123 1407271 2043324 1025845 1454677 1467196 1148513 1252893 1430646 1961894 1594202 1630788 1472712 2186707 1485691 1812290 1805400 2130177 2199723 2232176 1342613 1881517 1840264 2415275 1697107 2318005 2295812 1944330 1509314 1479787 1594820 1783927 1842652 1508197 Promethazine sulfoxide Esi-1.5336301 198894 177600 21396 1 367612 1 1 379321 272893 127815 376599 153663 309777 95038 310952 293737 445112 36761 161543 124832 218264 291479 379804 361420 313211 90897 5814 366254 277339 28562 1 1 1 1 1 1 Propachlor 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14351 21851 278067 60568 14334 1 22035 52201 24894 1 37017 36621 33126 89384 31084 10891 Propicillan Esi-0.9485713 1 1 1 1 1 1 1 1 1 1 924692 240251 1 297219 1 1 384018 1 368620 1 606803 371880 251914 285461 37062 66367 300541 30108 1 120290 1 1 1 1 1 1 Propicillan 292020 289576 354491 287565 302019 156526 190096 123223 252474 218621 281949 256400 132753 270168 272461 196153 279356 213772 278937 265426 167445 247666 265674 258965 256889 252513 266565 254882 237094 261676 157228 403999 341892 184475 281541 220838 Prorocentrolide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15773 23538 16635 79641 54949 35557 19087 21594 21189 19410 1 1 1 1 1 1 Prostaglandin E2-PEG11-biotin Esi-17.033998 2843720 772490 2770932 1715582 1 1 1739663 1262764 1162618 85439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Prostaglandin E2-PEG11-biotin Esi-14.863946 3568804 3038887 2827396 3847994 3330795 3518605 3566076 3821724 2913648 2521856 2847896 2870136 2797057 2810191 2548230 2456537 2563155 2997572 2657646 3184171 2413469 2954196 1560792 2655453 3043679 3756196 2950413 1716200 24146 3207621 3775098 3236902 2756359 2998226 3382595 2664575 Prostaglandin E2-PEG11-biotin Esi-16.969559 2651174 772490 2770932 1690142 2040237 1715995 1776348 1262764 1156977 429936 993110 592964 846763 817764 740724 864299 572449 455029 541405 644763 778736 430427 688322 573506 551017 706862 500946 391280 482975 448183 2361394 1500732 810497 705989 677143 694845 Prostaglandin E2-PEG11-biotin 5295670 3276481 6454560 4168281 5772099 3591064 3846285 3511916 4492993 1 4634471 3561657 4603595 4300429 3229200 4237558 3067612 2522875 3295494 3463450 3663595 2943380 3510771 1787262 3324336 4088688 2660302 2424718 3315487 3108570 5004175 4765449 4022049 3892366 3725642 3561156 Prostalidin A Esi-5.978 38517 18862 74474 15002 1 24851 37699 17653 19592 45528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Prostalidin A Esi-6.4725 1 1 1 1 1 1 1 1 1 1 56872 89717 76590 81910 52750 51215 55089 75513 68029 43397 50762 65041 94072 41177 91093 95769 26663 49300 81361 68692 51994 52073 56592 1 39628 1 Prothiocarb 1 1 1 1 1 1 1 1 1 1 92270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Protoverine Esi-13.779785 1.38E+07 1.10E+07 2.28E+07 9429574 1.15E+07 5510585 8003722 4817370 1.01E+07 8382789 1.89E+07 1.13E+07 9668949 1.41E+07 1.19E+07 1.18E+07 1.09E+07 1.07E+07 1.91E+07 1.24E+07 1.07E+07 8427194 2.09E+07 2.06E+07 1.43E+07 1.32E+07 1.20E+07 1.28E+07 1.36E+07 9854678 5490993 1.22E+07 1.63E+07 9888160 1.53E+07 1.55E+07 Protoverine 1 3.42E+07 3.95E+07 3.78E+07 1 2.68E+07 3.63E+07 2.91E+07 3.54E+07 2.05E+07 4.84E+07 3.66E+07 2.37E+07 4.24E+07 3.76E+07 4.25E+07 3.64E+07 4.01E+07 3.40E+07 3.88E+07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(15:0/12:0) 1 1 1 1 1 1 1 1 1 1 442347 1 1 1 1 73773 1 1 6410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(16:0/22:2(13Z,16Z)) Esi-14.971 222013 28003 181534 54676 39137 22247 72815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(16:0/22:2(13Z,16Z)) 4656057 573944 5766863 2057958 1432940 997228 1001706 353419 616990 417105 895679 521395 853394 620140 650527 504235 466223 488450 579867 434568 454730 432707 1218760 708843 555657 443478 481814 292009 383009 555525 3137853 920956 735196 643261 1 761425 PS(16:0/22:2(13Z,16Z)) Esi-15.417999 159440 631675 231855 2111581 58620 69286 67340 1 803759 635963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235716 1 1 PS(16:1(9Z)/22:2(13Z,16Z)) 626380 186745 1187817 288444 368846 348610 290496 128551 229322 253148 299671 106237 458833 209095 182194 140340 131160 188716 93556 230212 1 1 1 1 1 1 1 1 1 1 313591 200766 272443 165449 269318 349596 PS(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi-14.863 86657 1 187755 95466 74915 1 248601 92731 136327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 32879 1 132805 166387 228127 81274 146790 86041 91881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(17:0/22:1(11Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1.39E+07 4569689 1.01E+07 4904946 9588646 1.02E+07 820417 6337391 1.01E+07 6746247 1 1 1 1 1 1 PS(17:0/22:1(11Z)) Esi-23.753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52487 430022 428475 395792 PS(18:0/19:0)[U] Esi-14.772738 1 1 1 1 1 1 1 1 1 1 1251761 4319289 1 5314294 1.20E+07 1.16E+07 4359500 6838677 4307981 9538668 9219080 6610634 5857516 4948574 2.07E+07 6046340 2994285 4761961 3607039 5231439 1 1 1 1 1 1 PS(18:0/19:0)[U] Esi-14.462999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5297952 6923363 4088334 5152034 1.32E+07 5752917 2328087 4594863 3442834 4356046 1 1 1 1 1 1 PS(18:1(9Z)/18:2(9Z,12Z))[U] 1 1 1 1 1 1 1 1 1 1 42524 108415 38016 117645 19648 32156 52091 56510 43725 77320 1 1 1 1 1 1 1 1 1 1 221163 1 70605 75433 53587 66978 PS(18:1(9Z)/22:2(13Z,16Z)) 2.60E+07 2.29E+07 2.91E+07 2.11E+07 1.80E+07 1.86E+07 2.23E+07 2.34E+07 2.29E+07 2.18E+07 2.41E+07 1.82E+07 2.56E+07 2.32E+07 2.35E+07 1.82E+07 2.06E+07 1.81E+07 1.90E+07 1.76E+07 1.55E+07 1.91E+07 3.33E+07 2.35E+07 2.03E+07 1.61E+07 1.89E+07 1.34E+07 1.61E+07 1.25E+07 2.04E+07 2.43E+07 2.40E+07 2.31E+07 2.27E+07 2.28E+07 PS(18:2(9Z,12Z)/0:0) 1 1 1 1 1 1 1 1 1 1 1 1 1696422 1 1455016 1 1 1 1377608 1500890 1109824 1023410 1588714 630055 956113 1185787 901949 1095965 1103030 1006914 1 1 1 1 1 1 PS(18:2(9Z,12Z)/18:2(9Z,12Z))[U] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59377 1 1 1 1 1 PS(19:0/0:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 227656 88196 135846 1 1 1 196560 1 1 1 1 1 1 1 1 1 1 1946941 1 1 1 1 428389 PS(19:0/0:0) Esi-14.080001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103147 336944 1 96512 371952 1 1 1 139025 370005 1 1 1 1 1 1 PS(19:0/22:4(7Z,10Z,13Z,16Z)) 1 1 1 1 1 1 1 1 1 1 186126 116357 197167 167277 141297 144905 141590 145560 115487 40040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(19:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 1 257764 1 1 1 24646 1 275892 580071 242056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(20:0/0:0) 1929523 814903 2914083 2424567 2979887 2147504 1362716 1899767 2887377 1509768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(20:0/22:2(13Z,16Z)) 1 1 199939 1 1 117913 1 1828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(20:1(11Z)/0:0) 1 1 1 1 158151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(20:2(11Z,14Z)/0:0) Esi-14.404 63180 160634 323468 1 111459 182594 1 65245 147941 273134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(20:2(11Z,14Z)/0:0) 6526994 3630096 9516955 9733164 1.01E+07 5464670 1.04E+07 1.10E+07 1.16E+07 9752008 3598545 6400840 3903121 5423352 6638751 6588631 6684621 2374016 5645660 6869065 4171412 6399332 4056763 6478440 6697440 7246837 6768865 3871014 3949162 6156890 9284370 6528499 5436636 7133206 7516097 6447503 PS(20:3(8Z,11Z,14Z)/0:0) Esi-14.658332 703189 507262 499410 324965 632445 608993 649053 416324 658486 461090 542286 236679 856032 263409 298293 899356 230063 292683 553094 290053 370900 283467 465252 572731 364401 362128 269087 350740 558581 273677 1 1 1 1 1 1 PS(20:3(8Z,11Z,14Z)/0:0) 738938 775475 652619 616574 2331799 707800 939133 246293 902985 196846 878438 705263 731393 601555 562413 2382028 849606 667623 631473 1416257 1120038 1112136 1529504 1459857 948232 1401897 1051666 1033847 1099224 697220 1121657 1189338 1328561 1317837 1267866 648976 PS(20:4(5Z,8Z,11Z,14Z)/0:0) 1505930 1654680 129450 1602973 2735777 40973 9572 1108700 1300049 1260708 1177657 13421 1031428 1274328 1129859 1698877 1055422 1072943 922770 1545976 1679895 1342513 2427228 1640987 1688249 1689841 1357837 1294413 1157258 575970 2061201 1417123 1606052 1682844 1466998 1649688 PS(21:0/0:0) 6.38E+07 6.07E+07 6.39E+07 5.17E+07 6.47E+07 3.99E+07 6.29E+07 5.38E+07 7.03E+07 3.61E+07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3.37E+07 2.77E+07 3.93E+07 3.60E+07 3.96E+07 2.72E+07 PS(21:0/0:0) Esi-15.392713 1.79E+08 1.72E+08 1 1 2.18E+08 1.84E+08 1.32E+08 1.79E+08 2.01E+08 1.41E+08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2.11E+08 1.41E+08 1.76E+08 1.74E+08 1.72E+08 1.71E+08 PS(22:0/12:0) 129057 80768 126343 92150 53096 125288 64262 112262 127875 96313 52090 90549 37082 78849 35309 52374 91370 129623 45502 74535 1 1 1 1 1 1 1 1 1 1 115169 158757 59376 62140 62054 46433 PS(22:1(11Z)/0:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94742 102889 83505 121064 43007 97894 68801 83783 65018 34381 1 1 1 1 1 1 PS(22:2(13Z,16Z)/0:0) 3.10E+07 9802074 2.84E+07 3.31E+07 3.07E+07 2.40E+07 2.84E+07 3.28E+07 1.95E+07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(22:2(13Z,16Z)/0:0) Esi-16.542263 2.02E+07 7422463 2.62E+07 3293352 1.94E+07 4090134 4553253 1 1.20E+07 1580039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1.67E+07 1.48E+07 9025213 8653538 8905341 8486583 PS(22:4(7Z,10Z,13Z,16Z)/0:0) 2.42E+07 1.96E+07 2.16E+07 1.65E+07 2.33E+07 1.98E+07 1.80E+07 1.95E+07 1.71E+07 1.67E+07 1.55E+07 1.33E+07 1.65E+07 1.40E+07 1.43E+07 1.28E+07 1.41E+07 1.35E+07 1.46E+07 1.24E+07 2.01E+07 3670910 1.90E+07 1.91E+07 1.95E+07 195474 1.68E+07 1.82E+07 1.46E+07 1.68E+07 1.47E+07 1.84E+07 2563498 1.03E+07 1.36E+07 1.37E+07 PS(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-13.959272 5110327 7040617 3780129 5693584 6446696 4520033 6770993 4710271 7002563 3815720 5333088 6194737 3019717 6605156 5201403 7247431 5768119 5119654 3027168 7819602 5195453 8923399 4454656 4349213 5543687 7065685 4751076 6271142 5600325 3128588 6428127 5532879 5792082 6269601 5758188 5701209 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0) 81784 38275 1 77933 39028 86951 36935 6185 1 26524 1 1 1 1 1 1 1 1 1 1 43440 46332 101947 47652 58596 56868 11132 22667 60426 28016 1 1 1 1 1 1 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:1(9Z)) 406855 342660 453126 334793 201030 345552 349911 399308 419917 286563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(O-16:0/0:0) 208753 84093 211266 299320 821773 212892 354046 119039 98440 98780 209820 140681 227035 319308 378565 428649 283126 209319 141515 203950 148709 162445 332803 386486 246766 246834 197235 94715 92090 137132 223418 219101 221412 223664 219327 209391 PS(O-18:0/0:0) 1 1 1 1 1 1 1 1 1 1 1 500656 615669 1 486213 1 450523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 PS(O-18:0/18:4(6Z,9Z,12Z,15Z)) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16618 11729 17532 11479 11719 12872 10617 10332 15410 12034 1 1 1 1 1 1 PS(P-16:0/18:4(6Z,9Z,12Z,15Z)) 2846847 2166618 2695483 2671496 2705046 2945895 2858478 2693886 2648591 2253195 2107592 2240079 2231180 2104592 1971908 2181903 2136857 1939370 2123742 2293348 2235023 2258484 1839515 2258208 2068959 2307555 2105678 2220586 2318689 1808727 2827175 2797662 2197946 2222804 2205503 2151167 PS(P-18:0/12:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66742 152288 18640 66774 53800 87668 70786 55532 78995 42047 1 1 1 1 1 1 PS(P-18:0/20:4(5Z,8Z,11Z,14Z)) 73165 1 27545 49025 52553 3682 37163 18746 45637 68672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47466 30668 1 1 1 1 PS(P-20:0/14:0) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319713 268247 400316 260687 261819 231023 271975 317087 141033 238520 53723 1 1 1 319103 1 Pseudouridine 1020707 475670 554693 378739 351414 1023736 841444 785999 214738 220634 428422 49247 725945 774340 1095339 52906 282840 276824 750133 462318 1294171 806103 1643747 508425 1122937 521653 430174 381931 681715 366410 884847 554343 613499 1357528 998316 1015414 Psilocybin 722567 2391815 3078414 419014 779280 1266019 864008 1233963 4195310 1830383 1272680 818435 3654009 1307438 2168886 1556071 1923995 2343953 857742 737837 43617 1782828 255955 1206952 2722303 1391360 190186 1087867 2804136 2311534 1459174 1319843 1457545 1354664 1390412 1382281 psychosine sulfate Esi-11.777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806270 645608 792459 790030 745945 762020 psychosine sulfate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162863 1 624005 598743 1 1 PtdIns-(1,2-dioctanoyl) 472980 461903 1059463 428742 567335 212737 334273 181970 419566 266584 659163 488078 226104 428378 458805 567336 400646 276863 541008 539045 1 1 1 1 1 1 1 1 1 1 240993 486923 656910 285517 570738 600284 PtdIns-(3,4,5)-P3 (1-stearoyl, 2-arachidonoyl) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33441 62351 1 35574 54142 34918 1 26866 1 1 1 1 1 1 Ptilosteroid C 1 1 58881 104505 1 1 28261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pyrene-1,8-dione 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251665 176232 26888 73808 113724 152056 75355 105785 198312 172765 1 1 1 1 1 1 Pyridafenthion 347222 366090 568708 40439 107156 310464 478593 184152 425081 1 180776 16243 287283 290260 596118 352035 63212 121007 454122 241028 69555 566159 83652 130966 93386 112031 51959 18341 112265 119484 366698 203212 49914 103098 28725 141265 Pyridate 90077 1 68696 80888 73434 78363 45247 24562 11584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88093 37480 1 1 1 1 Pyriminobac-methyl 1 1 1 1 1 1 1 1 1 1 38316 57433 80689 47351 17218 19197 80146 38957 31446 81667 107559 35858 8160 9596 28372 50828 70121 1 30999 79507 1 1 1 1 1 1 Pyrrhoxanthin 1 1 1 1 1 1 1 1 1 1 252074 283067 310345 243215 224835 218972 344948 185800 327637 286970 1 1 1 1 1 1 1 1 1 1 315480 278694 289581 211751 273466 134146 Quercetin 3-(3'',6''-di-p-coumarylglucoside) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157578 1 1 1 1 1 1 1 Quercetin Tetramethyl (5,7,3',4') Ether 96996 73006 70031 93262 64214 84668 66482 54798 80477 73671 74198 61838 63550 69411 73076 62505 65883 56943 52224 54182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Quillaic acid 3-[galactosyl-(1-2)-glucuronide] 1 1 1 1 1 48638 1 100112 1 213976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Quinagolide glucuronide 5514993 5793564 3477731 9118308 1.33E+07 1.39E+07 1.21E+07 1.01E+07 9042150 5780921 1.11E+07 4661960 543176 3458336 6074534 4987665 3364248 1158613 5352275 3668276 5452692 3191304 7395721 278129 3525001 3663240 3918413 3449068 1760536 2805388 4779989 2323465 3840298 3340336 2463796 2882215 Quinestrol 198421 233067 220689 219972 176329 175698 144762 226055 211440 271953 241560 229370 246453 232290 258893 207427 234031 229611 206037 188334 1 1 1 1 1 1 1 1 1 1 154328 163219 214036 148828 208824 197799 Quinquenoside IV 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262370 170046 318824 317617 275127 284922 278842 287457 281473 269994 1 1 1 1 1 1 R-3-(Methylthio)-1-hexanol 91901 90095 66539 87739 95620 92943 76904 78748 79237 88531 115522 103782 112672 106621 107479 103566 93464 93297 99213 73185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11981 20309 1 31967 1 8656 19608 11365 21382 1 1 1 1 1 1 1 Ranolazine 1 1 1 1 1 1 1 1 1 1 57253 34170 62664 36153 11915 34902 42715 46859 22158 29982 50085 22889 25630 1 23423 33610 28881 32580 36970 11020 11099 26662 25151 1 1 29064 Rebaudioside C 107223 1 96230 70894 67987 92483 28332 5443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Rebaudioside D 198059 1 145335 98919 1 102818 1 91508 1 44127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Red chlorophyll catabolite 78767 1 110938 78032 82147 40462 67688 54738 57180 46697 85438 1 122199 74842 72396 63747 61291 40558 48724 44680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Rengasin trimethyl ether 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232360 199016 55169 142246 58865 97366 Renilla luciferin Esi-17.47116 112094 126347 209055 93442 64308 220484 49345 520362 115198 117487 385070 228791 47654 182335 33801 46385 71116 264412 191388 127858 147706 230133 390203 244984 284721 197760 187541 172163 206345 239942 84839 220561 150681 88868 206502 238899 Renilla luciferin Esi-17.472998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155908 234102 390282 293127 285565 202790 187273 173271 202408 232783 1 1 1 1 1 1 Renilla luciferin 53307 285782 59380 94254 27594 226912 18562 517899 202989 153277 370007 463155 188079 314394 90264 30089 224477 427394 280442 183527 278740 200898 702052 170921 125107 265282 283473 185416 359631 410756 1 116495 325906 159936 418423 396177 Rescinnamine Esi-16.316877 557525 127601 602358 1 1 290165 341849 234316 195216 114398 218505 122154 205961 138132 134006 162751 95993 82926 115230 130686 178435 94109 223096 124481 98781 114290 122669 92938 102336 121227 320741 1 147365 136467 146673 141970 Rescinnamine Esi-15.041779 980322 403396 802241 564791 233254 302977 234256 1033202 150489 175515 433068 531569 530897 504376 652560 525104 473252 594415 458148 405715 467981 339012 602988 595718 553348 682136 599137 647182 549388 436627 979053 446763 540810 505267 599869 231239 Rescinnamine 1221741 774175 1460406 1029253 1 1298770 1444148 977333 1261251 777112 226288 7206 1 166130 821162 449040 826639 1 183697 707743 771605 724577 797271 327468 794765 598717 755177 806099 789142 830227 1257197 567881 868161 464826 657265 820019 Rescinnamine Esi-14.838336 240675 213448 110730 179968 216445 236795 245552 301941 273006 244243 161203 191818 207727 95238 178472 164706 277237 214223 155028 224331 184160 177870 159711 144106 201942 206592 218301 229366 169169 180501 1 1 1 1 1 1 Reserpic acid 1 1 3562 1 454124 17859 1 36394 28821 1 1 48370 20553 14814 1 175241 39839 30365 1 1 41308 278545 106385 39498 37205 24231 11035 57467 30508 15744 1 1 1 1 1 1 Resiniferatoxin 398874 129511 69924 228359 213507 335763 274215 147055 214229 189216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Resolvin E2 388527 160206 273440 303157 440839 447257 303800 146337 363890 155743 343358 234238 367844 340698 235607 368088 305513 273876 203769 293390 312587 269596 327926 145381 161956 242111 199803 197393 114280 147659 164454 266692 314945 134571 301947 294269 Resorcinolnaphthalein 40724 24176 57272 1 48589 36341 1 23529 28932 45769 43666 29351 47023 39031 48971 55132 34820 35827 44310 55451 53117 29800 43482 36355 53582 57741 40518 32666 56572 51225 1 1 1 1 1 1 Retrofractamide D 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31334 16528 42734 25392 16647 20113 12515 19785 16778 15078 128312 110954 32188 30381 30343 25545 Rhein sulfate 1 1 1 1 1 1 1 1 1 1 164949 6107 35508 32612 59731 114472 79641 9959 20460 70505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Rhizochalinin D 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431619 293532 301852 59641 256830 273481 235219 291309 108937 108848 151597 132937 288556 119314 270789 358015 Rhizochalinin D Esi-22.570372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52500 73218 81959 85770 75809 71500 69162 47432 50216 77888 84578 86523 61289 37718 54359 59865 Rhizochalinin D Esi-23.732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150460 132937 313879 104730 269922 357413 Ribavirin 5'-phosphate 54130 1 1 53906 1 1 54179 1 1 8200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ribosylimidazoleacetic acid 39343 16817 54650 19535 27284 31790 29809 128571 23834 30902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ricinoleic Acid methyl ester 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23607 163284 1 1 Riddelline 1 1 1 1 1 1 1 1 1 1 228150 338594 297918 275822 364619 94239 117130 262908 321625 178378 339501 348787 132839 353292 355299 309816 381341 297494 365602 352998 1 1 1 1 1 1 Rifamycin Esi-15.079023 331431 243897 401158 221050 299274 233291 184482 209890 263078 1 242892 256330 245472 252606 211891 292723 260440 290200 240754 288196 298894 277226 305271 329400 285445 320677 295809 293602 349568 274712 198754 165008 267212 233908 245117 152366 Rifamycin 989553 560621 915293 871433 861494 649647 755456 445440 623031 519333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Rifamycin S 336359 206893 204182 144649 386203 231540 335723 166272 273962 218438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Rifamycin S Esi-13.958 1 253016 1 267454 197759 142804 197868 206457 266102 81438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Risperidone 959032 128960 937722 1189895 1242546 1084956 922102 371200 177432 81969 176576 169913 112512 106620 72664 111171 83349 119579 120141 86177 82782 93721 190170 164514 88550 122545 83516 76774 71524 56962 935424 905883 147863 114021 121975 113758 Ritonavir Esi-15.103308 499024 378541 511106 277277 282109 157689 251772 457809 339091 3250 399985 405777 390209 211041 333893 335557 289633 301212 354577 423904 1 1 1 1 1 1 1 1 1 1 586556 425153 317205 358588 358489 220624 Ritonavir Esi-15.33237 624876 710737 30966 1 7465 349437 102909 1266975 338523 976343 1 1 1 1 1 1 1 1 1 1 149649 203139 531771 604996 149718 245301 543345 122830 146372 714991 1 1 1 1 1 1 Ritonavir 1240775 828482 1355348 1042169 1116889 1403838 893748 1240317 295643 1003935 750048 567046 304409 403187 565966 537388 836599 794304 1074291 765012 319167 771466 918089 587298 843226 667296 644864 272029 706119 713736 402351 527633 333932 807694 789023 881285 R-L3 1 1 1 1 1 1 1 1 1 1 652478 710127 447871 743256 696039 615974 690436 692490 785269 515320 705627 797266 633231 820879 801249 754367 843719 787986 826125 827557 1 361678 1 1 1 1 RO 40-5966 (Methylmibefradil Metabolite) 70740 37482 64305 59793 36601 59204 43025 45068 53477 46531 41610 60663 45669 46275 43731 17718 51260 51875 45093 52083 32594 58777 68926 50206 19888 52721 38277 54514 57819 34815 58770 48188 51984 46741 50139 51914 Romidepsin 1 1 1720333 531816 49063 40935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125296 1443674 1 1 1 1 Rosmarinine 72657 49585 62430 28503 30436 87640 16467 62352 50895 54081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Rosoxacin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57744 1 1 59957 53191 1 57589 63692 45225 1 1 1 1 1 1 Rosuvastatin 115890 38970 28370 118203 1 92759 93644 93002 1 70016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Rutaecarpine 3937 1 1787 1 1 1 1 1 9670 1 1 10916 1 4937 2021 1 18374 8076 42498 1 1 38777 2830 16889 37206 21826 1 8576 16169 24126 1 1 1 1 1 1 Ryanodine 1 1 1 1 1 1 1 1 1 1 29974 19181 75164 21536 39615 23626 24063 27903 24250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate 2493259 1687115 2865369 2546674 1771934 349526 1985982 1484614 1370989 2773538 1825929 1428737 2607734 1246337 1343663 1418633 1354957 2735882 1706780 1253118 1289404 922126 5293512 1681151 481688 1288415 366110 644908 748814 280809 1709634 2098041 1652782 2366859 1921072 2283424 S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate Esi-0.7838333 1 1 1 1 1 1 1 1 1 1 920978 1592023 2521627 1497252 1389609 1430332 1354957 1835885 1950423 1215016 1 1 1 1 1 225228 1 279436 1 1 1 1 1 1 1 1 S-(p-Azidophenacyl)glutathione 192699 1 108190 147110 80221 268443 465458 1 1 66259 1 1 1 1 1 1 1 1 1 1 439787 1 568259 1 1 2087 15670 1 1 1 1 1 1 1 1 1 S-(p-Azidophenacyl)glutathione Esi-1.1509472 177337 1 1 321208 108603 183545 468957 1 1 88451 138875 1 1 1 1 36868 22558 1 1 12499 300504 1 41113 1 1 1 15670 1 1 1 37557 51003 54673 42631 16561 34127 S-(p-Azidophenacyl)glutathione Esi-0.6489999 1 1 1 1 1 1 1 1 1 1 20473 1 20082 13518 1 11305 22198 14314 14363 13820 58757 1 42043 6646 8202 29572 6149 4396 1 23117 1 1 1 1 1 1 Saccharocin 166662 304615 278507 185409 186031 260465 287665 277502 332053 205745 414497 351954 409546 337340 295305 363304 334282 351841 323344 420904 610600 437795 688757 246886 340922 393893 423051 443561 190977 366135 69659 197150 361987 238749 481732 532388 Sachaliside 2 70182 1 135915 79626 76671 84865 108275 37661 1 3312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Salannin 582866 266898 1 236019 227313 215021 116572 565865 240473 420990 280346 226608 236111 54324 387085 139365 252626 246930 82913 381876 363643 26923 352190 77425 497934 107665 504517 490040 210734 304283 77430 166780 1 347987 132894 1 Salermide 61119 108529 13772 1 23149 1 32300 15727 18034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Salfredin B11 Esi-7.3450003 1 1 1 1 1 1 1 1 1 1 29695 38762 31614 23901 29954 34096 32479 18960 51442 33071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Salfredin B11 1 1 1 1 1 1 1 1 1 1 1 47197 30215 1 1 68526 72347 1 30808 53823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Salsalate 568739 7647 193198 323279 276015 612349 648010 53888 1 354166 286014 7425 83754 108269 6244 238676 145240 1 1 49907 1 1 1 1 1 1 1 1 1 1 185277 276727 296326 32004 166811 203350 Sarcoaldesterol A 94898 34096 116610 769162 159739 258530 81908 564988 26708 505920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73828 587119 9136 544094 41311 32698 Sarcodon scabrosus Depsipeptide 305059 290934 252276 328563 250724 351357 364435 365911 228820 304943 1 1 1 1 1 1 1 1 1 1 279132 240319 114969 72010 171045 257937 115635 111988 158181 222849 229168 174302 186532 112559 15288 174305 Sarcodon scabrosus Depsipeptide Esi-23.7713 73723 290913 80140 328931 333077 351407 367895 365911 105305 305008 215030 38851 207301 265617 277648 219933 259034 252396 284446 74085 1 1 1 1 1 1 1 1 1 1 171776 153923 233576 12556 63556 205881 Sarin Esi-3.2379997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 877762 4682992 610374 155752 1313359 3126422 Sarin Esi-5.404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1329587 2585 1 1 1 1 1 4912 1 1 1 1 1 1 Sarin Esi-3.2831213 1 1 1 1 1 1 1 1 1 1 5521674 1 4974486 1290586 3110883 2163587 174454 1766105 2418569 2947963 2431960 1833406 9134746 3870003 1578989 2801467 930957 4618788 3121188 2035450 4557154 5938623 3456307 202027 4716586 3129247 Sarin 5753186 2236589 4077233 6711729 2918748 5710619 8464369 3985337 436522 3657799 7399759 597582 3877974 1380112 911459 1230959 6258652 1102901 704173 789959 5804214 827665 1.12E+07 4222157 992697 331542 3475318 6544894 658216 166541 5944057 3373821 5683278 4316003 4014717 4278523 Sarmentoside B 45781 1 101938 1 1 78554 1 25027 1 68101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Sarpagine Esi-19.119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.76E+07 5.08E+07 4.77E+07 4.71E+07 4.56E+07 1 Sarpagine 4.45E+07 3.36E+07 4.07E+07 3.52E+07 3.85E+07 3.86E+07 3.38E+07 3.66E+07 3.34E+07 3.16E+07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 SB 206553 63123 58394 44452 66902 42317 99602 38181 66707 40981 62059 58006 86199 49136 34944 1 33721 38779 37944 60885 32705 27693 68324 64144 52947 75326 49285 31278 1 67198 48019 1 1 1 1 1 1 SC-19220 Esi-5.9678755 65052 1 112611 63139 13196 55407 64793 1 1 74378 40011 25925 1 23598 28677 39794 35949 29538 35727 29423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 SC-19220 156131 150073 137392 104100 1 1 86822 90545 157543 83635 92993 77650 85250 114964 101420 65336 112443 101430 124194 79951 70646 131175 149114 73598 148014 144561 86644 68674 116675 80441 135538 134685 135375 137256 132346 131968 SC-19220 Esi-5.969728 65052 1 115233 63139 13196 55467 64793 1 39423 74378 1 1 1 1 1 1 1 1 1 1 1 1 132267 32631 45653 36344 66116 15365 31479 18841 46538 50278 51291 31561 49475 55681 Scarlet Red 419631 319469 432381 302941 341694 322804 335800 268029 322859 268292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348426 227092 359557 167910 377148 357912 Scillipheosidin 3-[glucosyl-(1-2)-rhamnoside] 1 1 1 1 1 1 1 1 1 1 198605 67639 200909 170079 121886 167305 132984 108923 168990 157186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Scriptaid 250459 71216 241431 551960 92452 427333 215202 292951 98714 70677 1 1 1 1 1 1 1 1 1 1 27675 77383 72778 51090 56683 61083 31580 38020 67078 42068 335455 321021 75688 77696 65966 69543 Scriptaid Esi-16.334997 22377 71216 69046 57854 53555 123761 33688 109962 23237 68308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Scutianine F 1 1 1 1 1 1 1 1 160080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112291 59716 113526 Se-Adenosylselenohomocysteine 491432 190266 410460 400825 442031 463395 370986 235697 173398 146770 172705 236670 174684 182984 143025 132676 196970 246134 173588 158312 165254 112114 180873 167667 1 165086 167169 4766 6848 148952 411994 352078 217721 188957 214124 213481 Secogalioside 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86784 56499 56409 116002 105407 114512 Secoisotetrandrine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58360 298231 332504 388012 322865 67618 355354 329848 336199 291091 102257 381940 27040 315376 78613 52489 Sedoheptulose 1-phosphate 1 1 1 1 1 1 1 1 1 1 67681 10217 17198 34429 14506 47854 43616 62126 43245 55065 69119 19866 114951 39034 1 46032 47912 44132 40606 2284 64430 58769 62324 53563 37416 15488 Senkirkine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349995 189138 280808 338359 225416 216541 355714 289140 225839 310859 1 1 1 1 1 1 Ser Arg Lys 58820 45171 127280 110301 119289 67706 90394 55437 73090 76573 78222 81530 109025 82904 70428 67064 64723 77948 62453 83161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ser Arg Thr 1104705 961114 1002155 831042 773165 1092736 809846 841355 711397 1030533 1289759 1539575 1351273 1711019 1223783 1414354 1443064 1499296 1344874 1307651 1559177 1448812 2260964 1962016 1444580 1315998 1348127 1349725 1203390 1023014 706116 972046 1343842 1628597 1592786 1190526 Ser His Asn 1 93752 1 1 1 1 1 1 57441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ser Leu Lys 174504 587057 807177 211678 165382 170851 236102 804062 397912 706287 264160 478682 531457 978892 814023 731939 540565 566832 531383 831538 111644 314886 1841287 470913 498235 535020 617348 95313 778033 288334 525141 522767 515535 546976 564589 548187 Ser Val Gln 166699 101704 45404 176487 99925 240787 36576 183566 56431 159597 93905 297345 132507 152942 123985 96963 203289 204125 167026 185941 92380 222370 225676 121210 214509 201456 151941 163838 89638 193842 226051 178558 182532 176233 115584 175851 Ser Val Gln Esi-12.19894 123939 113573 120090 104121 119976 109099 103475 110163 100284 104646 97798 87329 99862 85368 92885 141873 90422 93595 104520 97709 135970 136047 94037 108726 90026 78220 106909 104865 132693 127019 92147 103849 167071 133488 137415 141887 Sertraline Carbamic acid glucuronide 142493 1 350718 299966 306307 313754 223066 86410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361826 185365 1 1 1 1 Setarin 1 1 1 1 1 1 1 1 1 1 216376 326345 184713 301292 1 1 1 96480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S-ethyl N-[4-(trifluoromethyl)phenyl] Isothiourea 20203 55970 1 24931 62029 1 55661 46015 1 20621 39708 23625 67340 42275 47307 44663 38732 21828 57901 35980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S-Furanopetasitin 1 2914613 1 1 1 1 909372 3061694 2479774 2020724 3549773 3922424 3522207 2685340 1988477 2503761 3381357 3098487 2857826 2418799 2322920 2205118 2312554 3889799 1976102 1480192 2112613 1670701 1995785 1180033 1716288 3843164 2875500 2856201 2540863 2769278 Silafluofen 212485 1 119080 86807 154669 207670 1 267035 220358 1 1 1 1 1 1 1 1 1 1 1 682084 240437 189045 840279 463388 540330 384753 311829 513631 411149 1 1 1 1 1 1 Sinapoylspermine 434595 376829 205390 159099 253770 300505 347375 300402 336332 112773 163578 116946 268983 171665 63438 179683 129635 1 98074 57001 237825 220583 186272 1 1 133348 93612 73356 190411 25400 302017 212711 154162 215831 88845 146674 Sinapoylspermine Esi-24.220377 1 1 1 1 1 1 1 1 1 1 198876 63992 242862 86288 30951 91720 111897 48338 79563 101825 1 1 1 1 1 1 1 1 1 1 154520 112657 218447 137960 73633 134478 Sisomicin 1 1 1 70552 88085 29135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159616 48899 1 1 1 1 52390 1 1 1 1 1 1 1 1 Slaframine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64208 1 103193 1 1 1 1 1 1 S-Methyl benzenecarbothioate 1 1 46696 1 3122385 3682637 112301 1 1 46629 1 1 1 1 1 1 1 1 1 1 1 437821 1 1 1 1 1 1 1 1 547687 468238 471680 470480 596305 715520 S-Methyl butanethioate 200159 106538 164541 219715 360525 237467 278609 225101 285879 50859 413944 439502 194429 339660 100415 240323 98386 61838 285097 193933 202183 155714 72443 195742 403586 223285 110774 262482 209533 129351 239453 236994 231932 235750 249562 252033 S-methylcaptopril 52223 51517 62491 55604 61189 52598 57125 37198 58958 59670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S-methylcaptopril Esi-10.622001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57226 37919 34291 37890 59377 68440 52331 46672 62929 53818 1 1 1 1 1 1 sn-3-O-(geranylgeranyl)glycerol 1-phosphate 218441 135602 94605 187589 44073 60278 151720 147867 206702 92383 173890 86970 56923 176578 59194 97194 202038 100195 163796 187924 140088 165045 91139 136639 243247 115829 157644 134585 142517 186670 229020 184896 229275 213829 230485 219509 sn-3-O-(geranylgeranyl)glycerol 1-phosphate Esi-11.946 1 1 1 1 1 1 1 1 1 1 173890 194081 59606 176578 115984 97194 202038 151555 163796 187924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Somocystinamide A byproduct 1 1 1 1 1 1 1 1 1 1 107686 200305 152397 182748 131479 136086 178118 201961 158769 179912 138506 1 1 204818 156931 1 135978 131934 146937 88938 1 1 1 1 1 1 Sparfloxacin 1 1 1 1 1 1 1 1 1 1 1 6717 1 56947 9482 28786 1 2336 10163 17947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Spergualin 2101209 1223289 2351085 1347871 1642877 1192564 1 1192694 1338654 1255463 1 1 1 1 1 1 1 1 1 1 1220866 1314965 1624172 849347 1011489 1086289 1234867 836247 1195772 1226140 397802 250187 243672 288705 111258 24883 Sphingofungin A 41044 1 36922 47903 12919 43675 29565 1 1 50835 1 1 1 1 1 1 1 1 1 1 1 1 73998 5973 11963 16563 12594 13147 16991 1 1 1 1 1 1 1 Sphingofungin C Esi-13.721 5022673 3694969 5870378 1287932 1.04E+07 2955939 3982233 1873656 1 2608427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4977865 4855674 5322914 4746405 4997727 5009766 Sphingofungin C 6442885 3662727 8918328 1279293 1.03E+07 2955939 3982054 1873656 2762173 2604984 5361656 2796905 4820186 4595048 3379342 7500047 3376363 3193463 2982356 5346769 4559847 3361708 7989928 6222766 3980747 4599049 2390403 3163891 3682557 2099246 1 1 1 1 1 1 Sphingofungin F 144065 117339 119167 105472 136617 83260 55640 65920 115450 116779 144443 79206 149036 149772 180639 107967 99762 86966 82958 127929 117621 136861 136445 83466 111175 88037 115993 74468 111714 101988 111583 138010 140915 128951 131819 138610 Spinacetin 3-gentiobioside 1 1 1 1 1 1 1 1 1 1 125361 82061 106849 111975 192754 76647 25452 152492 146401 79888 32163 62959 113614 123853 51687 80496 139109 26401 25594 155554 175141 195049 74803 151357 95357 80153 Spinacoside D 889672 119874 737471 552789 715064 626375 609379 196661 124974 61144 1 1 1 1 1 1 1 1 1 1 157426 117125 212137 150051 128708 112942 98856 109778 1 81819 1 1 1 1 1 1 Spinosyn K 710152 1 586569 999974 121564 566104 367111 137872 168878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176956 34426 118868 85008 88961 37208 SQMG(0:0/16:1(13Z)) 2268060 7784367 4739705 6958250 8810599 7938345 8786514 8600055 8583646 4435149 1.03E+07 7812263 9953402 7433056 8983593 7718368 6382292 7556879 8932729 3558843 6744798 6908707 1.29E+07 2541051 7014820 7393071 7246841 7649527 3001909 6624297 3591787 4183957 5113068 4587883 5508690 5213182 SQMG(0:0/16:1(13Z)) Esi-23.754251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4016622 6907116 4413702 2541051 6219311 7393071 7246841 7664564 3710544 6587374 3494506 6916633 5153260 4658991 6938098 5221403 SQMG(0:0/16:1(13Z)) Esi-10.912001 1 1 1 1 1 1 1 1 1 1 61644 183022 244609 1 51047 45870 18251 26552 29560 35150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 SR 144528 221078 137275 348143 94481 363996 150026 186198 45534 147378 123913 205392 142266 106209 203928 135207 316401 132576 140697 121074 177144 136248 108266 259205 191763 157902 178390 1 113984 112831 106402 213581 157699 185987 190773 142058 154089 S-Ribosyl-L-homocysteine Esi-8.8359995 1 1 1 1 1 1 1 1 1 1 10661 27125 12062 20760 14384 167598 18018 21170 17300 30409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S-Ribosyl-L-homocysteine 1 1 1 1 1 1 1 1 1 1 163600 392775 280862 124567 135462 2859473 230490 197777 231807 249102 294391 267211 97510 275381 619526 186515 183110 418250 155176 103712 330794 224842 319122 319840 314641 327480 SRT 1720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80496 63721 1 1 1 1 Stearic acid 313654 54022 270245 161975 249135 213485 221954 133400 74236 50011 68905 54660 51328 53243 43567 53491 48394 46119 48657 48724 61404 44899 64579 56803 51268 46099 42238 40314 39837 33463 179698 183177 60579 63365 52771 51723 Stigmatellin Y 1 1 1 1 1 1 1 1 1 1 323372 162792 590015 1 199022 229083 169845 176899 120819 240989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Streptidine 1 277474 1 122527 1 25625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Strophanthidin Semicarbazide 1650039 886817 2300331 742673 1191305 547477 648700 842055 1095170 254372 1882622 1318831 111557 1417610 1124766 1830087 915309 974791 74475 1196131 1432690 1341285 1838637 780572 1182116 1500048 1230796 1339709 1378417 1342896 1572252 1006124 1171435 1129982 1134733 1009825 STS-135 Esi-12.880999 1 1 1 1 1 1 1 1 1 1 1 96157 49683 72457 155051 1 33761 91018 29134 152330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 STS-135 827704 549504 550036 517683 1262855 974122 582833 413140 348597 694278 1 1 1 1 1 1 1 1 1 1 1850332 2092632 1794327 1477812 1434932 1942159 1518991 1808854 2934001 969563 728658 661377 1221331 739291 140707 1404837 STS-135 Esi-12.87541 1 85985 1 3399 25863 1 1 74138 55154 1 1 179410 49683 72457 155051 18275 33761 131517 97055 152330 9736 172568 1 130397 160123 98582 31556 180126 166785 86478 110186 91664 83860 108417 106547 98185 Succimer 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267817 1 27131 167302 41661 25178 67741 67686 1 234151 1 1 1 1 1 1 Succinylsulfathiazole 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23316 1 223751 18256 21899 1 50381 116466 1 1 1 1 1 1 1 1 Sudan III 217583 194718 270854 269606 169713 320621 207926 330592 176026 152734 196852 212963 118950 141486 102232 60593 160887 201407 140038 96683 171855 122228 420020 210511 149962 114986 128041 115699 105340 93853 261599 259104 240539 158519 176659 172159 Sulfadiazine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240979 38873 831061 29465 42939 32752 123330 26906 18646 126053 231400 245868 257019 231046 120329 44355 Sulfamethoxazole Esi-5.9703155 46909 64295 107004 52852 28884 52958 54035 30903 12931 84779 1 1 1 1 1 1 1 1 1 1 42830 24213 92918 29542 39077 30644 69938 1 16167 17661 1 1 1 1 1 1 Sulfamethoxazole 114935 120093 119348 92813 58524 99363 72274 115659 130611 74837 84012 68070 84001 86522 83747 54751 92867 82964 103852 102156 61516 119286 114355 61304 120077 127259 78870 56838 110680 61965 73502 109752 100218 107893 107773 104401 Sulfamethoxazole N4-hydroxylamine 14015 1 1 37505 131047 10620 4400 58502 1 4391 1 1 1 1 1 85409 102203 24059 17987 44884 1 67355 1 54402 49203 1 6879 29346 1 49916 26362 55111 122220 21037 237208 17057 Sulfanilamide 3121406 280188 5872460 331910 2861611 823939 1791757 579468 747174 1660336 3762242 301986 1285799 901797 861068 1949263 3020437 2356312 125139 1886169 1166927 1487487 2617848 1043754 1809929 563185 955046 901266 1537173 1905441 1368091 3032201 3849124 3607847 3863731 3440262 Sulfaphenazole 87036 81031 91530 80691 50997 72616 85541 79370 77765 72634 1 1 1 1 1 1 1 1 1 1 42614 60082 74379 66758 66788 46430 55258 45775 44330 40001 1 1 1 1 1 1 Sulfaphenazole Esi-9.083626 1 1 1 1 1 1 1 1 1 1 69542 42678 80171 77160 83922 67346 66546 61855 67349 54304 1 1 1 1 1 1 1 1 1 1 69259 66075 64134 61467 61551 65355 Sulindac glucuronide 129049 1 147196 173813 165231 132032 119503 47355 17773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161440 125462 8042 1 1 1 Suprofen Methyl Ester 153017 1 167140 28421 106114 137018 162097 1 1 11448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Suprofen Methyl Ester Esi-0.952 1 1 1 1 1 1 1 1 1 1 128409 1 70462 1 19238 90015 1 1 1 64697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Syringolin A 19427 1 65690 1 1 23504 4877 6121 1 10047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 T2 Triol 1 1 1 1 1 1 1 1 1 1 158644 119099 121536 100420 94058 103146 93390 89255 97170 87444 1 1 1 1 1 1 1 1 1 1 543934 496908 132041 118817 128337 105308 Taccalonolide A 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103191 38302 128456 41594 32916 37344 46084 62468 68768 88150 1 1 1 1 1 1 Tafluprost ethyl amide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179602 27236 1 1 1 1 1 1 1 1 1 1 1 Talampicillin 98168 37767 90522 1 100646 144723 99625 103111 59588 45793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 talinolol 51576 67933 55641 33098 22447 22200 38952 56958 59237 35126 55878 44567 71875 32716 20327 61999 39724 45495 35377 48491 32626 65810 60773 37936 40283 1 36668 32589 1 10734 1 1 1 1 1 1 Tartronate semialdehyde 239302 205452 232531 56788 157015 189269 231348 216399 184062 580112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Taurine 2344817 1.10E+07 1 7362159 1.21E+07 861043 3981598 6706131 1.09E+07 822405 4467753 5196769 1.07E+07 1.26E+07 1.22E+07 1.01E+07 7607725 8377849 1.08E+07 5865160 1 1 1.37E+07 8279624 2429948 1.23E+07 1040020 3882905 1 1225646 3805262 3370124 8643369 1.29E+07 4011786 6836518 Taurolithocholic acid 3-glucuronide 968890 805939 781706 1558399 927802 1584159 1449937 998029 284540 678162 675864 817791 671388 940736 403096 431435 480711 3028764 844858 1 770640 836121 746155 506471 350386 697589 829897 3383871 956336 794714 944490 1500621 664695 782738 783823 759677 Taxinine M 111007 80478 53248 69338 77278 57420 58157 64979 77638 97256 127124 164348 69529 76939 82632 117853 74473 106330 107114 79004 1 1 1 1 1 1 1 1 1 1 1 48963 70358 1 122057 86197 Taxinine M Esi-14.386 262418 82985 106951 105651 201010 175712 163241 154234 42465 78256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tazarotene 49598 51805 1 56796 1 70393 1 57180 48041 57015 48248 80539 36266 52932 50250 28809 58826 58988 57435 34067 38740 67903 61902 39876 72174 60203 37419 57330 68438 54497 1 1 1 1 1 1 Tebuconazole Esi-15.687523 1 1 1 1 1 1 1 1 1 1 42037 88326 26641 45294 37300 38075 61274 70185 23866 42983 31007 59997 69018 41155 58142 52161 27373 41732 49867 39096 1 1 48101 59555 1 48956 Telaprevir 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213743 531581 395014 469987 474647 482556 Telbivudine 171107 369110 14616 265195 205638 545352 534843 440452 293030 468946 252551 65774 245903 242727 213260 159486 388800 165745 59579 456368 137908 808458 230237 567126 296786 128614 167715 707599 99711 49941 155203 263498 119601 283709 230687 153299 Tenitramine 1 1 1 1 1 1 1 1 1 1 36261 307273 1 225134 123039 116791 1 154433 52144 488453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tephrodin 78359 207527 160312 69436 72852 64996 83589 187593 214171 98809 59383 125112 190387 158101 129925 106053 97750 84647 117839 105365 65193 132107 23112 158938 151078 149993 52742 95013 88238 60864 132728 122225 136339 105152 131737 126281 Tephrowatsin B 2224076 1557849 2033380 1833170 2069088 2692280 1335598 3091900 1466102 1451456 1482677 1770815 1474164 1364437 1169971 1201307 1501432 1794487 1315367 1208220 1 1 1 1 1 1 1 1 1 1 2629009 1812266 1412335 1384878 1512610 1603678 Tephrowatsin B Esi-19.386663 1 1 1 1 1 1 1 1 1 1 1.94E+07 1 1 1 3.99E+07 2.63E+07 1 2.09E+07 1 1.61E+07 4.14E+07 1 1 1 2.29E+07 2.87E+07 4.12E+07 2.72E+07 2.51E+07 3.97E+07 1 1 1 1 1 1 Tepraloxydim Esi-15.352 1 1 1 1 1 1 1 1 1 1 1209768 1233781 1360700 1277610 1291258 1069783 1259829 1175184 1277633 1086250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tepraloxydim 1 1 1 1 1 1 1 1 1 1 355663 367712 255395 209546 163404 218576 271564 309894 217827 229250 343016 358924 565977 481489 310698 326451 301126 299169 322014 216409 1 1 1 1 1 1 Teprotide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163097 148801 168785 163461 141877 181265 133646 128092 130910 72122 1 1 1 1 1 1 Teprotide Esi-13.982501 1 1 1 1 1 1 1 1 1 1 325373 273649 378326 262872 188467 231289 224523 309179 273788 256343 1 1 1 1 1 1 1 1 1 1 278891 262526 256005 238498 195031 211575 Terbutaline-1-sulfate 1 43271 5549 1 1 1 1 3521 4028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Termitomycamide B Esi-17.445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163086 1 32699 1 1 1 1 1 1 1 1 1 1 1 Testosterone glucuronide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66508 158561 1 1 1 1 42613 1 1 1 1 1 1 1 1 Testosterone sulfate Esi-17.807304 1 1 1 1 1 1 1 1 1 1 693082 281005 945505 201460 34220 183137 410272 90183 171269 109885 809277 643857 647621 499942 422176 697914 496895 626081 755087 291443 247797 1016662 712667 690966 656355 642134 Testosterone sulfate Esi-18.706919 1 1 1 1 1 1 1 1 1 1 530650 835917 583628 715671 459831 517136 641491 790696 484714 553726 538695 652262 1202139 814549 614535 568308 528264 612394 515765 445725 240313 403172 643336 732927 693487 677091 Tetrachlorobisphenol A 60971 1 80356 70351 210774 113025 101028 1 85385 129458 123618 92514 89437 43242 30786 144403 151393 132335 171208 263211 180225 72987 22231 35115 170972 203237 50129 18221 40000 73292 46382 105223 49902 10546 33845 68741 Tetracosanedioic acid 1 1 1 1 1 1 1 1 1 1 1 23603 18145 20659 17152 51046 29069 30618 28372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tetradecyl sulfate 23438 249471 9003 39154 127440 94337 4317 119880 163096 76299 401161 354936 324979 344072 239197 324734 293137 288400 266782 266760 668080 378203 681887 195128 297828 347033 338994 341832 168053 268206 94912 132125 381659 188207 462889 506149 Tetragastrin 312642 352753 279595 1 503387 1 249153 106652 10460 185363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tetrahydrocorticosterone 209049 215633 192506 209715 203812 220919 154382 194020 189291 168191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181435 160613 234734 216964 218914 207281 Tetrahydrocortisol 187473 184927 209151 53950 14539 169239 110835 39409 122431 141519 226141 243332 139104 248812 230870 105464 152948 295258 286006 147326 1 1 1 1 1 1 1 1 1 1 108150 134352 224181 250976 228046 242241 Tetrahydrocortisol Esi-17.296581 102660 25293 124546 65223 49295 164890 1 115083 4949 204019 1 1 1 1 1 1 1 1 1 1 187570 290732 606903 217699 244622 176297 141819 210165 236709 139437 1 1 1 1 1 1 Tetrahydrocortisol Esi-17.851997 137777 256549 170146 116719 100463 76063 93666 160240 104403 170293 1 1 1 1 1 1 1 1 1 1 183653 211664 322943 249934 322144 306132 188008 155638 400952 172942 1 1 1 1 1 1 Tetrahydrocortisone 136860 169966 1 120006 161168 176242 173382 138510 175449 173798 226927 181271 261394 195910 146463 164082 177497 178080 164835 209101 261881 195634 258078 50237 193856 189594 211187 208477 106252 152058 93594 130158 192373 120259 241276 217502 Tetrahydrocortisone Esi-14.0164995 1 1 1 1 1 1 1 1 1 1 1 95328 8524 33202 71402 1 1 87423 69710 57483 1 47887 1 33163 79424 73922 1 85581 88497 23175 1 1 1 1 1 1 Tetranor-PGEM 151212 250526 181786 70710 238841 197756 234801 94299 268729 109750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297399 194469 295052 1 294123 277930 TG(12:0/12:0/20:1(11Z))[iso3] 151140 116223 317245 269067 235408 301914 274240 196975 113197 94367 1 1 1 1 1 1 1 1 1 1 133874 134855 207569 177183 96313 127938 52364 211412 174478 48256 429384 129163 133969 132017 52004 50730 TG(12:0/14:1(9Z)/18:3(9Z,12Z,15Z))[iso6] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27366 1 1 1 1 1 1 1 1 1 1 1 1 TG(12:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] 383238 139705 639126 601812 548568 653598 553314 124900 78282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 TG(13:0/13:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] 73624 15726 114876 85767 142355 60418 70463 68384 57359 47501 1 1 1 1 1 1 1 1 1 1 41941 1 64138 80560 58948 41755 53255 61611 52801 17783 1 1 1 1 1 1 TG(15:0/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso6] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14524 22869 56827 27278 11372 9151 10111 15641 8470 1 1 1 1 1 1 1 TG(15:1(9Z)/17:0/19:1(9Z))[iso6] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332541 425625 359943 481633 246413 412509 469782 374417 451931 174039 1 1 1 1 1 1 TG(16:1(9Z)/16:1(9Z)/16:1(9Z)) Esi-19.088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199920 144828 481443 70180 35407 111005 TG(17:0/17:1(9Z)/19:1(9Z))[iso6] 70610 76465 1 60190 60510 1 52820 88742 55971 59278 90758 213579 43889 1 43815 47758 103769 106079 50006 90609 1 1 1 1 1 1 1 1 1 1 55614 61656 102152 113036 100529 106127 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3] 232100 1 219534 241537 278234 242057 231525 132972 110461 1 1 1 1 1 1 1 1 1 1 1 166303 129563 143273 82043 104531 150295 126294 85708 116479 83114 1 1 1 1 1 1 TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] 1 59028 1 1 30828 10693 16515 1 27312 2100 34504 17711 103166 1 47928 1 52437 89548 11204 56669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] 277955 96321 152719 100555 154009 113148 183122 98344 113323 76065 119328 28500 115490 75697 80460 78063 79929 49636 76357 62824 1 1 1 1 1 1 1 1 1 1 67875 81726 106822 86398 73454 70703 TG(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] 407868 1 887989 253857 1189370 738384 960068 632042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Thalicsessine Esi-15.215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202386 1 408878 1 156378 1 1 191372 1 1 1 1 1 1 1 Thalicsessine 283125 312555 342824 306892 131090 229591 226475 279191 225041 359039 354549 167971 137716 306794 372790 137304 249678 246666 298741 162349 134953 29920 1097076 230315 362927 79539 247884 150620 114735 197488 210443 115179 332823 369947 361204 364873 Thalidasine 731384 616250 654493 570363 394282 603741 579285 514994 580302 566156 534432 663830 638807 618227 504958 506129 590093 603578 643091 534538 681107 613410 552204 565359 613156 297001 532566 638229 543171 534182 669485 662156 591647 594682 500697 549736 Thamnosin 80345 33879 68829 54928 42139 1 36415 22804 40412 48907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Theasapogenol A 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46624 56530 18475 30742 31572 1 19699 20139 18685 1 1 1 1 1 1 Thenylchlor 197730 1 53956 144621 98905 156654 167349 13655 1 97392 117956 171968 106980 147006 125313 117703 123068 1 110208 174749 1 1 1 1 1 1 1 1 1 1 56007 153764 170869 167152 123347 137640 Thermobiszeaxanthin-13-13 Esi-16.32 1 37521 1 1 1 1 1 1 396053 115273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Thermobiszeaxanthin-13-13 1 105350 1 1 2078 1 1 16156 171748 208538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Thermobiszeaxanthin-13-15/ Zeaxanthin diglucoside diester 1 1 1 1 1 1 1 1 1075699 537056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Thermocryptoxanthin-15 38647 25785 43583 30818 33311 46776 28735 32313 27547 45718 28163 39683 33086 34848 29825 21054 25949 32884 29125 44768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Thevetiaflavone 86826 7411 10956 103544 88473 149619 44253 4531 1 60428 1 1 1 1 1 1 1 1 1 1 69756 44458 1 12322 35373 46155 1 60407 28737 48981 28789 87377 77143 1 33886 1 Thienodolin 1 1 1 1 1 1 1 1 1 1 162573 1 1 23244 1 1 61389 1 1 39134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Thiethylperazine 163221 103115 324114 225044 276972 388761 226128 276956 138148 120176 1 1 39030 23576 1 44692 32375 37512 43013 33532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Thiocysteine 4264789 1046571 8692156 6239042 3406333 893836 5413405 3828320 5134388 4009574 6621886 1078022 9459592 4423196 1123004 5366183 2340145 3604735 621282 943418 4655550 838418 581386 5710118 3209833 3533532 2842603 1337850 3472248 1169138 4213742 3697026 4306206 4326640 3802391 3734344 Thiolanilide 174331 130462 189963 126682 127279 115253 165607 91387 157204 117614 157592 97896 65537 61437 100304 143626 71491 57652 112564 77036 151697 1 141474 90039 49624 1 80284 33485 56836 85859 123371 132091 130900 103751 118024 103317 Thiolanilide Esi-5.746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2403590 1 1 1 1 1 1 1 1 1 1 1 1 1 Thioperamide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13641 30193 12183 1 17143 10336 3788 1 9732 1 1 1 1 1 1 1 Thioproperazine 361366 147358 348519 370927 253581 344824 330414 257084 216176 267310 224224 186352 240299 191628 242075 144009 243984 193069 215864 109273 144837 112787 255701 176560 171803 96039 192777 137685 97958 121543 377532 163324 187726 174030 151779 105314 Thioridazine 2,5-disulfone 1 1 1 1 1 1 1 1 1 1 16493 7524 8075 1 1 11202 15827 13317 25569 12227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Thiotepa 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55076 9126 1 1 1 26008 10045 3301 1 1 1 1 1 1 Thio-THIP 1 1 1 1 395803 1 230232 1 390716 428123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Thonningianin B 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13782 1 1 3694 1 1 1 1 1 1 1 1 1 1 1 Thr Glu Leu Esi-14.047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32168 36304 50650 51872 53148 53775 Thr Glu Leu 47936 14790 12472 33541 23740 2936 28180 16349 32326 1 23884 15845 39546 48077 72512 49486 39377 94791 42657 20810 29959 50813 74178 33996 108853 37333 47380 41215 27355 20889 103230 34893 51027 52932 54646 26137 Thr His Ile 1 1 1 1 1 1 1 1 1 1 87547 119072 112294 70000 93381 88417 94657 66614 61657 85893 94377 115908 38351 77817 75378 131635 52045 96867 32183 80351 92624 86123 86264 87753 84890 90397 Thr Ile Lys 22867 33938 3326 33131 153220 39167 54715 38925 46260 46702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Thr Ile Lys Esi-9.086999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164916 238364 348714 276054 241795 200264 225739 163671 191775 174759 255703 252690 266668 268321 263428 271666 Thr Ile Thr 63128 97446 108730 1 18776 56228 35942 45208 58821 135840 52179 96025 34621 25020 52585 291124 35511 35303 83976 65577 82818 1 74968 105259 63766 32204 56383 1 114668 1 99614 463492 76819 115829 113259 73324 Thr Lys Arg 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148227 8401 23518 1 37557 1 24389 1 53285 1 1 1 1 1 1 Thr Lys Ser 1 1 1 1 1 1 1 1 1 1 1984804 2263436 1813776 1909212 1586715 1722645 1978449 2116979 1667968 1828888 1538436 2043519 2378324 1980789 1895867 1785444 1706428 1877818 1759526 1589580 1 1 1 1 1 1 Thr Met Tyr 22864 35166 1 36680 89730 57860 58251 32485 53939 13931 40438 67872 56574 59549 37605 202602 37361 10334 56572 1 1 1 1 1 1 1 1 1 1 1 1 90044 107652 53028 73735 48500 Thr Thr Lys Esi-8.5778 1 1 1 1 1 1 1 1 1 1 1 28388 12099 39711 21118 14732 36060 40369 22902 32107 1 38906 1 1 1 28663 6472 13893 9924 3513 1 1 1 1 1 1 Thr Thr Lys 158335 173973 247741 136334 147435 32506 162574 96194 136594 214715 223916 185894 288401 167030 172510 137012 174986 154607 178559 178278 162659 171696 277337 177839 143885 133350 233159 136836 159943 187492 137365 39627 184381 205684 205411 211682 Threoninyl-Aspartate 30081 152000 69553 1 38033 1 73572 69732 80048 1 1142231 1 632885 898524 1 528207 690341 807803 315743 905455 1026813 373407 821408 537024 847302 1165970 532150 603465 931891 1208092 748376 958588 793741 985650 1018333 1024173 Thr-Phe4Cl-OH 106306 102707 103334 102450 109661 111927 87709 111557 99826 102308 133116 133736 136872 124574 140860 124886 147721 109362 127389 125986 131700 146550 93690 138690 131799 136028 130211 136139 142231 132588 124971 124864 134186 127659 128165 139049 Tiamulin Esi-14.037498 1290242 247704 1 1 514651 276760 456595 326260 128940 1 1 1 1 1 1 1 1 1 1 1 103147 362497 450585 96512 372261 182367 1 1 139025 360743 1959095 1 880586 5559377 151245 63867 Tiamulin 1508183 1026777 1 2543632 3486543 2292199 1603616 1941704 1 1591984 2122946 1606154 2495912 1957119 1249300 2727687 1476371 1139718 1519801 1599336 2137138 2194321 1852299 2098771 1758410 2694302 1576781 1449172 1941161 1242414 1 2314741 1984039 1954887 1986637 1870385 Tiamulin Esi-13.737598 1 1 1 1 1 1 1 1 1 1 2.47E+07 2.06E+07 1.56E+07 2.44E+07 1.93E+07 2.08E+07 2.13E+07 1.51E+07 2.02E+07 2.19E+07 1.44E+07 2.17E+07 1.94E+07 2.39E+07 2.11E+07 2.31E+07 1.83E+07 1.36E+07 2.08E+07 1.58E+07 1.01E+07 1 2.35E+07 1.69E+07 2.28E+07 2.29E+07 Tiaprost 1 1 1 1 1 1 1 1 1 1 19401 648614 177578 121696 275828 12094 45105 369214 311670 247569 1 1 77740 1 255962 1 1 1 1 1 113030 184199 215141 237162 130972 210080 Tifluadom Esi-15.295278 233581 232588 207993 224217 194572 219831 214006 221645 227061 228820 262810 239981 279401 263284 236779 207917 279949 229308 293706 225035 248357 208203 361928 252444 263179 199708 264507 233771 200790 267981 256459 190549 256301 278077 274382 200467 Tifluadom 210767 20872 53405 224885 22660 171208 170355 169416 40164 28279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144402 186721 20416 8975 16003 2758 Tigecycline Esi-13.508001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143016 1 114157 1 1 145821 116515 88418 112213 93414 1 1 1 1 1 1 Tigecycline Esi-11.782 1 1 1 1 1 1 1 1 1 1 1 1 1 37298 1 1 1 21268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tigecycline 30299 44663 95427 83870 103620 32681 68550 42837 50018 34497 1 1 1 1 1 1 1 1 1 1 39782 16721 111449 63560 47851 37445 46295 21441 22242 21786 56646 47644 57049 57446 55668 54466 tiracizine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35907 32374 43231 38677 34637 39783 Tirandamycin Esi-0.97316676 30509 1 64803 20670 15993 32842 24205 28075 33664 1 19586 13471 14509 15038 25854 12538 20982 15309 14772 16489 1 1 1 1 1 1 1 1 1 1 26476 30646 29508 29876 32468 41785 Tirandamycin 31243 25239 61761 13420 32612 1 23295 57246 1 23133 1 1 1 1 1 1 1 1 1 1 31334 13998 53030 1 13423 1 26167 11848 15488 1 1 1 1 1 1 1 Tirofiban 33950 16836 85218 50661 52050 31777 76938 36675 22706 3070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 tiropramide 5243601 2890930 2420870 4519761 4388956 4843738 4653854 2314643 3493748 3337909 6074612 3678240 5999392 3493701 4661507 5908336 3902006 3007844 2764162 1706356 5616436 2605165 5713112 4279592 3938820 5059477 3511103 3079015 3932585 3269196 4600158 3242125 5010852 4951943 4825756 4859747 tiropramide Esi-12.845888 364978 403707 239145 474785 711262 320849 371409 410281 258069 395252 665435 423711 638137 204138 479221 577849 440537 355090 320628 521458 774137 413895 746942 615147 584395 696182 538978 466513 584336 508614 689737 669212 702723 686266 688837 655098 TOFA 1 1 1 1 1 1 1 1 1 1 138138 133066 122649 114824 71829 99410 102914 114838 102595 96274 118222 114921 182523 127622 111877 108074 84558 104030 90192 89678 1 1 1 1 1 1 Tofisopam 4057271 3061248 4148425 2801106 3070644 2994917 1587467 2727114 3064883 2710466 501793 457106 524902 443045 360202 386074 372421 378286 381654 414983 3815099 2903906 4055532 933597 2771591 2659792 2894927 2891454 1564517 2561360 300167 287759 456376 253648 458795 449921 Tofisopam Esi-13.701998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192552 480224 215726 259917 189341 395140 89084 311980 290827 158982 1 1 1 1 1 1 Tolnaftate 59161 68216 65210 60500 51275 118297 52505 130150 59604 57353 42342 77450 58446 65362 49748 25137 58657 70294 47455 41102 33168 64609 1 57323 63055 57526 1 57537 76514 44151 78623 78396 63563 63105 60631 51397 Tomentolide A 1 1 1 1 1 1 1 1 1 1 118357 5848 52757 47815 5827 53211 24455 6997 42792 10886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Torososide B 1 1 1 1 1 1 1 1 1 1 75885 10295 25488 6845 4008 8447 36140 17246 1 21593 1 1 1 1 1 1 1 1 1 1 24264 44388 21473 13660 28809 48427 Tos-Ph-CH2Cl 3132576 6758 118939 2989696 580781 2924980 4638479 118057 3965 1058273 2330828 24678 643446 656162 101409 999221 749172 70493 17877 557213 4701281 1 3784339 159263 1 49269 840385 171941 87167 97454 1213569 1341493 1668112 455420 716378 984953 Trabectedin 326916 297129 239184 187849 281627 423281 259107 139054 202294 177455 157104 197650 231818 231460 159628 189378 186953 206629 181442 152504 191078 172189 220524 193867 209067 82325 192930 131975 179693 178360 349690 271724 202386 182273 130640 191230 Tragopogonsaponin J 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127141 59063 56456 1 44262 44489 Tragopogonsaponin K 96902 34240 94102 70166 35653 48214 43949 1 31147 21470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81821 38344 43552 1 1 1 Tragopogonsaponin R 1 1 1 1 1 1 1 1 1 1 134169 98414 215566 124146 135745 135663 155102 180090 222199 60556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Trandolapril lactam (RU 46178) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30553 38631 171107 121670 72527 46640 78916 33713 37349 32352 140156 139968 1 82910 87554 78921 trans-2-Enoyl-OPC8-CoA 1 1 1 1 1 1 1 1 1 1 46560 1 1 12906 62702 95202 64500 1 59288 87778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 trans-Resveratrol 4'-sulfate 1 1 1 1 1 1 1 1 1 1 57562 61406 70621 52714 77393 45579 78142 68454 62273 40540 51166 46859 95023 56015 58052 44152 69468 62853 46198 81393 58074 40873 57196 67989 59815 62468 trans-Resveratrol-d4 89309 41077 33870 146908 85390 139387 108727 1 21479 166513 1 1 1 1 1 1 1 1 1 1 188715 9846 321905 6292 104093 114519 144738 103675 129850 103704 16671 36192 104274 149192 116578 132033 Treosulfan 894495 252012 403272 836108 616435 1065125 360742 505684 327891 516622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 656347 580413 1 232493 802092 425673 Triacontanedioic acid 1 54358 1 1 1 1 1 18109 24713 1 1 1 1 1 1 1 1 1 1 1 1 47208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tributyltin oxide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207214 112037 261829 216088 119108 226402 232214 204507 102559 116499 1 1 1 1 1 1 Trichlormethine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107485 104751 101527 81428 114813 1 Tricin 7-glucuronoside 1 1 1 1 1 1 1 1 1 1 141434 45342 94700 42795 44873 49434 38089 42052 34611 34956 50049 27055 80444 36781 37849 39660 23179 28653 31293 22067 1315142 948700 85676 45220 42835 39717 Trifluoperazine 1 1 1 1 1 1 1 1 1 1 109611 122536 89897 60013 90838 56983 47420 121351 91588 81235 86757 91536 123418 81670 75085 84778 78274 93605 52940 44609 1 1 1 1 1 1 trifluoroacetic acid Esi-23.755394 290239 320261 623663 202979 1 283467 142037 270852 223056 342083 601831 345585 761804 422518 341096 385674 391079 385345 312742 180448 795917 1 964112 1 398803 347703 404512 361938 380803 324625 122475 364187 512036 524877 391368 534108 trifluoroacetic acid 2.21E+07 2.06E+07 2.13E+07 1.88E+07 2.17E+07 1.89E+07 1.93E+07 1.90E+07 1.87E+07 2.20E+07 2.16E+07 1.92E+07 2.24E+07 1.87E+07 1.90E+07 1.62E+07 1.89E+07 1.93E+07 2.16E+07 2.59E+07 2.35E+07 2.19E+07 2.29E+07 1.99E+07 2.38E+07 1.88E+07 2.21E+07 2.17E+07 2.15E+07 2.08E+07 1.89E+07 2.25E+07 2.21E+07 2.23E+07 2.18E+07 2.19E+07 trifluoroacetic acid Esi-19.114279 6346758 2774164 6876035 5723395 3356250 6502104 8465639 3055852 2756576 1462409 1 1 1 1 1 1 1 1 1 1 1795244 1277484 3990189 2299283 1715506 1233783 1 1053515 772532 741229 5021776 6320163 2912696 2214283 2139337 1969942 trifluoroacetic acid Esi-18.394539 3879604 4707192 3200191 3020608 3375647 3997931 2810719 6502021 4941407 4762695 4929852 5118580 3940952 4218677 2665846 2700603 3657328 5004207 3433464 3151221 1 1 1 1 1 1 1 1 1 1 2961183 2596311 5160829 4331035 4301890 3968591 trifluoroacetic acid Esi-19.372849 6042278 3144018 6799183 7421480 8622126 6015836 6412169 4544227 3132943 1672781 3056357 3167680 2073329 1612130 1 862500 1866176 2745989 1678443 969945 1796619 1724094 4056572 2446080 1928673 930488 1 1198671 1290013 736591 7409108 5741778 3359005 2374947 2351781 1794394 Trigoneoside XIIIa 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241285 231692 230772 241462 233116 222359 244741 1 245845 254424 1 1 1 1 1 1 Trihomomethionine 114085 52859 130549 99954 105327 95757 103614 61053 84979 80551 118710 89307 119051 98088 116297 139573 129248 105892 111157 93461 148026 94574 60400 93685 153835 113360 116866 54632 127728 62491 111670 115899 109899 108324 109101 106489 Trilauroyl-glycerol 172458 250744 251247 138768 336012 168636 193409 178178 234304 172339 319664 360971 423958 218508 119855 381781 311045 333267 153162 320118 463917 368720 228606 131899 258640 321410 224732 354234 128097 151377 19973 157732 297415 103488 433852 349275 TRIM 574700 1017663 488661 1247026 2097434 860623 1060668 145089 195592 329947 1 1 1 1 1 1 1 1 1 1 856854 710847 215658 657399 288201 532277 232624 1068933 662987 261445 2863865 1585540 209077 360049 821364 1080727 Trimethadione 592957 263237 590809 348403 163278 500764 298275 299655 186769 432357 285359 168811 108087 215208 145437 75976 163450 275413 155853 111837 159447 133908 903044 248799 282219 250195 226093 164158 190625 196429 256768 303284 307353 296744 259825 305201 Trimethobenzamide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159684 227102 152565 171143 168614 1 Tris(2-methyl-1-aziridinyl)phosphine oxide Esi-6.0872593 16420 82367 1 1 7821 1 1 1 73251 1 1 86147 20670 18930 38046 1 12746 38201 46114 10979 1 88804 59277 42345 53673 45421 13540 33436 52000 44231 46731 41932 39217 41174 41599 44208 Tris(2-methyl-1-aziridinyl)phosphine oxide 134230 33810 34431 71356 26634 102138 46770 59673 127797 160974 1 1 1 1 1 1 1 1 1 1 55988 95695 208061 80605 120967 97628 52360 101027 91830 50522 1 1 1 1 1 1 Tris(butoxyethyl)phosphate Esi-18.691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13399 1 504002 94568 13945 6871 8365 1 1 1 1 1 1 1 1 Tris(butoxyethyl)phosphate 1159741 228832 92892 120716 93414 35063 795953 33630 41863 110964 151036 7559 88635 52237 1 49575 352457 1 181020 115939 269477 1 162919 1 156720 49486 36740 1 16427 1 220534 48206 253761 182486 201427 131858 Tris(butoxyethyl)phosphate Esi-18.802755 1 1 1 1 1 1 1 1 1 1 269475 353367 314243 259062 203278 391292 323098 266832 306405 262331 242757 276662 224567 343393 272212 264812 266745 223838 266383 148260 1 1 251340 280176 299800 320832 Troglitazone quinone 1 1 1 1 1 1 71287 75310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105958 12463 1 1 1 Troxilin B3 44605 32774 77096 42795 59887 70310 51838 21602 1 17412 1 1 1 1 1 1 1 1 1 1 92037 22629 84134 1 26219 57193 40815 18187 37709 67992 1 1 1 1 1 1 Trp Gln Ile 93033 137163 99414 45634 157657 93075 76197 134704 94098 106112 153424 137229 193097 60124 115351 165504 92506 188155 134366 85709 110298 135269 86368 125540 158031 91580 150665 145684 102698 158138 1 1 1 1 1 1 Trp Ile Lys 43295 1 80969 15266 1 1 32859 1 1 26932 1 1 1 1 1 1 1 1 1 1 27403 1 57062 28753 18898 1 11312 1 14252 1 1 1 1 1 1 1 Trp Phe Val 122052 116724 131740 132266 157478 128198 126973 97341 133037 45747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126153 113368 95359 1 93790 110673 Trp Pro Asp 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32035 62479 71014 73214 48730 33511 40406 38275 38886 38721 10186 1 42362 40312 42774 64260 Trp Pro Thr 69324 250135 107248 34701 34998 67776 65738 183815 237991 208041 273782 193090 230065 269541 320156 215035 269723 159662 252233 179538 142619 207770 480915 301992 288211 153896 216518 145432 172645 128407 47913 1 283143 287732 247368 286094 Trp Trp Lys 23223 1 1 1 15538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Trp Val Trp 88232 256815 277116 252937 227204 240830 248762 197046 182245 80793 221712 176957 168889 234566 253296 283518 214774 230761 199250 297265 248160 211599 323315 274421 262446 253103 215920 210755 217420 86475 286680 218576 245872 250959 197499 259083 Trp-Met-OH 87472 1 169842 142147 190126 143323 103716 111800 76909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150236 119614 39624 1 15166 10868 Trp-Met-OH Esi-6.704 1 1 1 1 1 1 1 1 1 1 8283 1 1 1 1 10846 1 1 44246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Trypanothione 48656 435302 108878 452918 99125 288485 426101 214391 298624 285896 158602 242423 159073 260427 264392 206504 369989 294832 131776 330644 304622 74184 176954 205015 237835 396584 209085 348313 292235 235711 653629 161459 245246 264819 187724 315973 Trypanothione Esi-14.371003 1 1 1 1 1 1 1 1 1 1 1 190716 198135 632479 771943 1 1 261717 283375 719106 622769 639465 565620 606284 472654 586146 568589 604331 600487 730441 517110 791014 581592 223252 366505 414171 Tryptophyl-Alanine 28968 41866 48747 1 24676 32535 30168 29208 33651 37641 23501 34290 21742 20683 18983 23902 30381 20606 23315 22540 19561 28111 41317 28960 28192 39421 1 22082 28053 33929 35409 38864 42473 37712 37358 34347 Tryptophyl-Histidine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151911 118919 172738 138280 164676 137367 83413 140039 156768 138043 1 1 1 1 1 1 Tryptophyl-Threonine 28310 52146 34607 31871 1 31599 24442 33951 30020 34445 19599 31238 22529 11241 14887 5517 21900 30413 36870 13354 30472 31288 68437 46648 39613 31293 30769 27686 41063 32884 34933 1 37097 35151 34204 39161 Tsangane L 3-glucoside 60199 1 423629 187397 601309 1 1 10058 35731 190362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 tuberculosinyl diphosphate 119992 43036 126209 59912 83503 103045 72235 72796 51224 29388 1 1 1 1 1 1 1 1 1 1 35956 19359 97312 56964 30704 27780 33192 31163 13848 29592 91575 101269 55336 50973 54942 41830 Tubulosine Esi-11.133 62750 21956 1 1 1 1 21573 1 23487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tubulosine Esi-11.408 94304 73905 1 1 1 1 40588 1 23103 1 1 1 1 10738 1 1 40007 1 80773 22714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tubulosine Esi-13.165218 126729 89160 89464 191594 408413 210802 162936 57141 142411 44496 176761 392304 176517 60808 80265 426319 190458 154215 258620 129980 164439 111020 285486 96385 457323 181239 92153 366502 108838 310624 303839 69780 237978 59753 217841 84575 Tubulosine Esi-13.154001 53529 90622 74271 1 43198 204320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tubulosine 509539 309902 176115 191594 696742 362187 271854 276119 236551 242338 388962 463826 330256 376043 253320 576926 238186 305045 258620 346990 364165 260848 585190 513574 546099 322328 270882 195680 255531 374641 130168 309411 333538 306883 329180 270700 Tumonoic Acid I Esi-14.567999 1.00E+07 7157416 1.11E+07 7584199 1.08E+07 8865152 8206631 7383566 8788641 6469931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tumonoic Acid I 2.47E+07 2.13E+07 2.95E+07 2.25E+07 2.63E+07 2.20E+07 2.27E+07 1.87E+07 2.34E+07 1.57E+07 1 1 1 1 1 1 1 1 1 1 1.67E+07 2.27E+07 2.05E+07 2.44E+07 2.30E+07 1.29E+07 2.06E+07 1.79E+07 2.39E+07 2.08E+07 1 1 1 1 1 1 Typhasterol 434479 45783 227860 138667 542995 198903 318008 62180 1 74859 1 1 1 1 1 1 1 1 1 1 76815 111249 203372 68452 129477 278773 79918 61040 305512 61499 76791 163969 136565 70420 137650 108818 Tyr Gln Tyr 554950 96733 537044 398084 333655 520005 298241 213504 132631 100634 124146 90099 99300 73698 54690 46246 54617 97853 78310 36029 96404 52994 181969 116501 79420 72473 46766 77179 64657 52287 412429 306320 100240 87897 93716 84731 Tyr Leu Tyr 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59492 54840 57648 60776 70809 82396 Tyr Val Ile 1 1 1 1 1 1 1 1 1 1 80017 21900 190275 44813 74153 63651 60827 63220 63807 41914 114215 22584 119430 52182 50216 17724 63679 69208 41217 34932 1 1 1 1 1 1 TyrMe-Asp-OH 386118 409853 365224 375164 386839 386464 386559 377410 389788 403337 385419 427602 427052 393009 410041 386210 431876 413701 424662 397047 407799 405498 275637 424777 407361 429700 399663 466853 436113 403843 351515 404940 412187 413165 411103 414747 TyrMe-Ile-OH Esi-15.085 1 1 1 1 1 1 1 1 1 1 46395 7334 50101 38248 1 17408 52234 52521 39171 63907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 TyrMe-Ile-OH 1 1 1 1 1 1 1 1 1 1 198473 9384 1 1 1 1 1 113088 1 1 1 1 638246 91429 1 1 1 1 45991 1 1 1 1 1 1 1 TyrMe-Lys-OH 128209 94868 79085 95462 106763 82197 85430 114383 59874 116349 186788 112771 253357 132862 198043 162028 135119 116659 167122 116056 167713 128730 178652 104210 123069 104680 138953 150927 126740 130970 151160 111745 161785 142732 141623 127469 Tyrosyl-Cysteine 1 49046 1 1 1 1 1 61895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tyrosyl-Cysteine Esi-1.2598001 1 1 147169 1 1 26041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118532 122196 37492 1 1 1 1 1 1 1 1 Tyrosyl-Tyrosine 14364 219948 101293 471518 79696 39503 310955 26114 146441 137053 618305 92330 146534 245727 125195 58156 172629 123453 147144 177752 15473 192441 123532 227886 38227 28079 32249 214326 146468 35418 265150 44682 16010 150041 148133 356412 Tyr-Trp-OH 292191 56118 324143 212405 369723 331255 306383 217620 191609 62147 74009 18277 33507 17615 15010 16070 23498 34571 21303 8159 1 1 1 1 1 1 1 1 1 1 189468 419994 40408 29721 32381 16264 Tyr-Tyr-OH 20637 30162 44319 92534 24116 12054 92588 45209 10525 43068 1 1 1 1 1 1 1 1 1 1 35121 28289 214695 10225 1 1 8994 56292 2689 14802 1 1 1 1 1 1 U50488 48874 30777 9308 56513 28135 64634 9367 53538 16307 52186 25295 59421 1 34109 24721 22083 42957 35503 40547 40577 16636 56417 1 1 52008 60736 18502 14477 32871 57363 54410 45059 47977 49360 27297 39638 U-51605 126621 50293 53178 54621 31396 89160 58215 64728 29033 37829 1 1 1 1 1 1 1 1 1 1 10799 30427 93480 80928 30948 17592 38196 22790 19851 31562 1 1 1 1 1 1 UDP-N-acetyl-D-galactosaminuronic acid 2191641 1386682 1096277 1352249 1994332 2396958 1712332 1045158 1892099 11902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251154 2137377 544155 1670663 44128 1922163 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-?-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D- alanine 1 1 104825 64698 116376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Uniconazole P 1 1 1 1 1 1 1 1 1 1 11027 27564 11347 1 1 30991 1 9426 22599 37660 18460 25606 17456 19298 25510 30941 1 1 14964 41999 1 1 1 1 1 1 Uracil 5-carboxylate 1 1 1 1 1 1 1 1 1 1 983017 49810 166410 385462 4014289 1859830 2457012 363869 1 170756 1 1 1 1 1 1 1 1 1 1 510181 1 70866 127936 1 41224 Uric acid 8235187 2029464 5834524 7077643 8929351 7960406 8431277 2864094 4864695 7012863 6541398 8394145 6681700 7764942 1 4929444 5583746 7390788 6158474 7420081 6229688 1166335 9322187 6418365 6749915 5637451 5407835 5436320 7034255 8290582 1 1 1 1 1 1 Uroporphyrinogen I 179808 1 175893 1 177991 201949 114535 64354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95876 1 1 1 29455 Ustilagic acid 42426 105671 121783 79612 315198 84079 66502 117376 170557 108163 111033 128557 95099 147388 243856 230152 165372 108655 131622 187436 74133 170713 128121 144901 172556 224323 150639 107698 131103 163290 152835 151118 148029 156465 150787 155956 Ustiloxin B 513996 217016 126089 479043 293611 25895 237032 120018 258441 645630 399152 525328 172500 525190 278846 391274 549475 469339 299126 342544 459067 542792 547393 211448 571638 577843 503287 417396 370045 257923 702152 342741 434824 161317 229784 347566 Ustiloxin B Esi-14.060002 523479 517424 126089 345934 253002 1 307013 1 1 623568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383239 232329 528372 360046 194198 265415 Uzarigenin 3-[xylosyl-(1-2)-rhamnoside] 3391547 2262878 3413219 3088435 2524430 4127508 1 3273174 2055740 2123705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Vaccinoside 48227 67455 18793 1 664475 1125411 106282 16377 32350 38190 1720 108766 3941 57769 23709 11915 15094 6785 27919 7224 1 1 1 1 1 1 1 1 1 1 49406 187721 151161 158491 119022 106467 Val His Ser 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20902 22449 22693 13371 16068 22315 13316 30772 21234 12885 1 1 1 1 1 1 Val Leu His 466707 261379 462937 306986 340569 380241 322600 293631 237187 343569 333694 284608 273153 184202 171481 136334 190173 299034 205422 172678 240221 184425 489637 320569 246230 226313 186415 240881 189302 159536 319902 333967 270018 266964 283532 249819 Val Lys Ser Esi-10.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55001 74659 51818 17122 1 185375 35390 17333 49358 57102 1 1 1 1 1 1 Val Lys Ser 11289 1 9145 13414 103362 38397 32573 1 25730 17646 10350 58771 52951 148350 38061 75647 76773 35823 52954 142814 40708 208845 35710 11864 1 140055 24741 25979 36859 43418 51952 49793 57023 45023 56540 49202 Val Phe Phe 18838 46306 57434 29052 36105 69375 102324 58382 30831 90913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Val Phe Phe Esi-13.027 37116 27649 78157 28382 1 69386 61763 58382 1 38374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Val Phe Val Esi-8.57 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37626 18538 57143 39338 30795 1 24099 35287 28424 1 1 1 1 1 1 1 Val Phe Val 1 1 1 1 1 1 1 1 1 1 67494 111162 119222 200791 170372 161460 117525 135125 115644 187764 22891 72078 260489 92546 104554 105180 124371 22417 149538 65103 126660 142932 148505 146825 151636 143379 Valdiate 374671 443266 10197 279842 369257 410576 396275 314931 411538 513337 596668 447963 317969 439152 327771 435795 420199 358785 358683 442523 773120 453089 739176 122608 384628 395177 179461 421022 191196 305865 276887 442526 591577 290994 609588 662614 Valeracetate 62434 32371 54711 52721 1 1 37570 42691 33987 35996 41713 1 85881 26824 78013 33272 36092 17637 28947 20041 43068 23574 148193 48950 38334 36694 46284 1 27747 35454 27246 38627 39259 18824 39547 42566 Val-Nap-OH 437895 55603 308951 260602 177408 512275 136996 99531 27043 47679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Val-Nap-OH Esi-17.973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344296 165935 55413 23297 14209 16244 Valnemulin Esi-23.809002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56993 19802 40605 48432 63382 37434 14341 47922 35333 1 1 1 1 1 1 Valnemulin 337630 297393 1 68403 1 522803 1 393524 543731 1 145172 243405 321196 1 286148 1 1 210674 254817 1 356759 392257 1 1 266011 1 226049 194635 322016 160242 269769 398222 384541 426391 344023 331888 Valyl-Arginine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26641 24946 30695 13537 21491 32352 16274 34535 21813 24296 24211 15228 25206 15070 26403 22740 Valyl-Methionine 21037 5471 14184 42702 44879 38593 27188 26400 13902 15836 28710 42079 27590 22903 11446 33971 33009 24407 30069 41649 35068 33585 24544 31214 24514 48861 1 34319 41626 30533 33404 30747 34393 28533 31646 30011 Vanillin 3-(L-menthoxy)propane-1,2-diol acetal 397824 81971 417051 233175 312912 343052 249736 243833 125946 120067 53489 21696 61380 49385 31250 16924 37389 49640 41542 20992 1 1 1 1 1 1 1 1 1 1 336397 335409 87567 89014 126953 99557 Velcorin 575468 783163 29704 477859 1 1 1 158404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Vemurafenib 92223 131935 86924 107269 72005 79515 112132 89054 109028 187785 181093 190126 175812 120105 170891 176785 176604 184722 134728 127176 186052 185357 144524 170255 166788 75882 189289 177677 182640 173604 86928 107545 148108 161123 154016 146639 Verbascose 169820 227782 135929 184520 337827 116333 221712 160044 46684 138967 158122 212037 253404 164307 211370 232175 142329 119029 141553 141502 176097 210494 231626 222747 203456 230610 58237 110875 237913 48159 95278 64785 228815 185749 166811 161314 Verteporfin Esi-13.946576 413469 532118 37929 523309 126170 270565 375122 351998 564656 325634 321387 426352 169013 428466 411266 211627 449261 463314 1 404497 430779 674537 257977 262644 437987 327239 427027 363534 403330 279164 559596 392395 266307 339128 260287 349834 Verteporfin 441502 403118 434136 540268 515981 557642 22138 629198 403904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414530 836996 670065 238642 684528 1 Vibriobactin 630579 379195 363921 659058 544241 414792 474248 324551 323619 626613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Vinaginsenoside R4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170930 1 689701 1 276906 403677 17693 1 1 1 1 1 1 1 1 Vomicine 3.55E+07 2.99E+07 2.89E+07 2.62E+07 3.13E+07 3.66E+07 2.74E+07 3.48E+07 2.78E+07 2.92E+07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2.28E+07 2.05E+07 1 Vomifoliol 9-[glucosyl-(1-4)-xylosyl-(1-6)-glucoside] 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253279 184545 71972 60541 92386 67422 W123 346040 455691 126521 247962 253122 359965 454039 188954 319245 213626 227613 338270 363420 544126 475524 1130911 318340 125997 353887 380364 495874 973708 248635 189771 315083 505328 248788 205631 354523 601502 344647 382884 576403 541562 537585 505284 Wanepimedoside A 254304 47556 304527 668712 30348 172186 157676 260079 169674 666915 390001 209048 153774 52893 289455 129822 295740 334225 411013 215919 373060 92756 401541 592465 360905 344181 528796 396874 359510 457557 346318 397424 332656 567436 385738 342096 WIN I(S) 190922 177800 215587 167873 126530 168223 167023 169534 168154 164432 180612 136723 199717 152746 242327 143903 145739 139979 146055 120656 1 1 1 1 1 1 1 1 1 1 161402 164818 174162 164185 172131 172574 Withaperuvin E 1 6079 1 13628 1 1 1 52775 20751 1 18630 1 64870 7742 8787 17974 1 1 3539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Wortmannin-Rapamycin Conjugate 52390 65325 90302 113852 61682 95678 117157 102801 95155 285964 75666 46038 37381 45655 82000 47435 45524 268957 88126 80350 53501 81822 34363 64233 82842 98424 258229 253494 54089 279975 92651 104500 82876 43178 35220 91975 Xamoterol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118612 167071 264023 1 258584 XDP 1 117365 216080 1 1 105651 207676 125582 84955 1 307414 1 372578 120103 99548 202111 296766 29032 77068 154998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 XE991 1 1 1 1 1 1 1 1 1 1 106499 191769 99704 119278 115977 10564 116112 158136 125989 33434 1 1 1 1 1 1 1 1 1 1 135347 90715 112077 109811 95667 108396 xi-3-Hydroxy-2-oxobutanoic acid Esi-22.020666 32218 205270 5242 10621 38221 37669 1 98481 162910 1 1 1 1 1 1 1 1 1 1 1 1 154086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 xi-3-Hydroxy-2-oxobutanoic acid 608522 635281 1076430 652383 575250 862592 820971 444272 882141 840359 1 1 1 1 1 1 1 1 1 1 949753 1109433 824469 643411 930315 1194518 408239 904435 1665415 2268374 338620 1028002 1376464 1351362 1009322 1196327 xi-3-Hydroxy-2-oxobutanoic acid Esi-1.0062224 366821 202716 397441 346322 354544 440354 374314 267639 143157 332290 342108 197303 530350 121743 534460 315574 230345 481288 284235 221139 471789 563527 148097 208021 208314 481381 139572 326339 1037998 283560 266515 377242 152051 152838 488831 575496 Ximelagatran 72215 1 135578 45339 101747 15890 1 78502 1 72051 69677 66884 78575 95870 78642 151229 44628 1 52094 69643 1 1 1 1 1 1 1 1 1 1 65754 11427 117015 122108 111587 122140 Ximenoylacetone 35358 164602 64980 86111 100880 77529 62968 62563 70186 96716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Yellow AB 61335 40257 83910 76915 78553 103343 96782 61083 73779 47518 115671 73025 101938 77164 109792 81695 92655 106662 79539 86114 119806 80436 106079 65566 44043 51892 73290 101212 104095 70284 82449 82783 95512 92748 63431 78393 Zapotidine 217312 197666 200125 150959 115280 167640 137656 131212 175619 163602 152878 145271 137556 177832 166995 101642 73869 200848 133863 124261 1 1 1 1 1 1 1 1 1 1 180555 150727 181598 172745 181522 181024 Zaprinast 96489 1 110013 79961 51563 68227 69197 47065 54828 1 67106 34461 38008 40815 65679 60198 61803 1 1 39800 82047 1 108942 72195 97225 1 1 25278 86038 34478 1 44035 71924 68260 61530 72773 Z-Arg-Arg-NHMec Esi-14.280999 815386 103854 6259981 4861284 745046 4640341 5315624 1 176440 5316558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Z-Arg-Arg-NHMec 7439056 6023962 6330226 5786222 2634830 4783233 5210048 4402035 5706159 4989041 5847977 6264682 6992137 5836417 4507743 4385867 4858327 5710585 5792404 4186786 5524336 4604643 4730441 5130858 5159414 2984595 4685287 6117949 5071407 4364480 4399253 6689253 4213763 5402271 4363422 5050384 Z-Arg-Arg-NHMec Esi-13.979152 728147 1189987 132814 1418465 671094 609032 883729 856976 1145663 652899 1301535 1439779 911054 1086972 796135 1002164 953277 905273 645132 952927 1 1 1 1 1 1 1 1 1 1 1143481 956324 690527 1092637 799509 844783 Zierin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71871 6827 27006 27983 22407 14985 19014 24138 12566 26199 1 1 1 1 1 1 Zierin Esi-5.62 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52621 1 1 1 1 1 1 3657 1 1 1 1 1 1 Zinc protoporphyrin-9 1 117301 144127 97925 109324 121744 107891 111040 125716 125068 85991 170944 104173 134521 173485 86067 123202 141930 153655 55499 50356 81758 159717 112632 46679 70364 140522 147477 49998 70020 1 163943 75041 194117 71654 132719 ZM 447439 827927 594076 92166 770970 504927 399081 505983 254587 464807 725566 1 1 1 1 1 1 1 1 1 1 1 467214 922441 1 737122 614222 626325 525646 1 410672 418741 79281 473062 442912 246214 465993 ZM 447439 Esi-14.045169 823259 502804 140873 764834 504927 267107 519115 256183 464448 661962 719166 587350 391396 687161 671401 804457 653255 601542 719466 665126 550598 506202 853964 579271 678771 699706 623983 496198 383240 422317 824322 140586 718213 666278 486564 750742 Zomepirac 136423 1997890 1 164474 1 61146 182832 1 1 108639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Zuclopenthixol 1 1 1 1 1 1 1 1 1 1 1 107292 62623 64439 48435 53253 64356 80382 66891 61438 47379 56892 141551 55909 71019 74454 53972 70385 62076 65170 1 1 1 1 1 1 Zuclopenthixol glucuronide 51752 1 13047 83167 81508 188130 163235 18071 3366 38998 1 1 1 1 1 1 1 1 1 1 286106 8834 105779 5065 1 1 49680 2207 10568 1 94315 79670 76721 126372 164308 157655 Zygadenine 640203 484336 506878 335111 103562 351768 583287 439983 478441 380762 372312 496521 1 1 299955 363823 314428 436758 367386 359007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Zymonic acid 1 1 1 1 1 1 1 1 1 1 44700 1108725 1393532 1657227 1214742 1 935513 1298563 1288253 1374023 279231 1088251 24980 728865 1033186 1520873 205512 975668 1133978 1607606 1 1 1 1 1 1 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Retention Time CompoundAlgo Frequency HMP ID Ionization mode KEGG ID LMP ID Mass METLIN ID MS1 Composite Spectrum MS2 Count NCBI gi PubChem ID Score (DB) (-)-11-nor-9-carboxy-?9-THC-d3 16.125 FindByFormula 10 Esi- 407.2378 96632 (406.23, 5736.6)(407.2334, 2147.01)(408.2418, 639.62) 72.48 (-)-Asbestinine 2 14.614822 FindByFormula 17 Esi- LMPR0104210004 476.3161 53662 (475.306, 27464.42)(476.3032, 11119.96)(477.3019, 3459.94) 52.82 (-)-Folicanthine 7.6580005 FindByFormula 9 HMDB30198 Esi- 374.2504 86790 (186.118, 24066.76)(186.6309, 129.89) 32.89 (-)-Folicanthine Esi-18.905445 18.905445 FindByFormula 9 HMDB30198 Esi- 420.2545 86790 (419.2448, 3962.69)(420.2486, 1287.37)(421.257, 12027.46)(422.2594, 3402.41)(423.2567, 3212.25) 36.93 (-)-Folicanthine Esi-19.1315 19.1315 FindByFormula 16 HMDB30198 Esi- 374.2434 86790 (373.2401, 9078.63)(374.2408, 2746.39)(375.2441, 836.33) 86.65 (-)-Fusicoplagin A 12.461879 FindByFormula 25 Esi- LMPR0104350001 438.2592 53690 (437.2529, 6112.37)(438.2521, 1719.36)(439.2415, 769.3) 45.04 (-)-Neolinderatin 14.918999 FindByFormula 20 Esi- LMPK12120613 530.3371 52415 (1059.6641, 19672.17)(1060.6667, 12636.67)(1061.6722, 6983.32)(264.1626, 191.34)(529.3319, 85764.92) 47.26 (-)-Tortuosamine 19.369642 FindByFormula 14 Esi- C12260 326.1994 69402 (325.1927, 87658.25)(326.1955, 20630.96)(327.1927, 7015.81) 85.94 (-)-Tortuosamine Esi-19.124285 19.124285 FindByFormula 14 Esi- C12260 326.2019 69402 (325.1931, 70031.68)(326.196, 15928.28)(327.194, 5553.09) 86.02 (?-2-Hydroxy-4-(methylthio)butanoic acid 6.110444 FindByFormula 36 HMDB37115 Esi- 210.0582 92086 (209.0509, 22883.02)(210.0543, 2916.45)(211.0628, 493.7) 62.24 (?-2-Hydroxy-4-(methylthio)butanoic acid Esi-6.1074557 6.1074557 FindByFormula 35 HMDB37115 Esi- 210.0581 92086 (209.0507, 25890.76)(210.0541, 3337.64)(211.0546, 622.58) 71 (?9-HpODE 16.895002 FindByFormula 10 Esi- 312.2296 64785 (311.2223, 33975.05)(312.2251, 7580.77)(313.2291, 1546.35) 96.5 (?-Desethylhydroxychloroquine 11.486 FindByFormula 6 Esi- 353.1523 3186 (352.1447, 4481.74)(353.1516, 1081.02) 38.35 (?-WIN 55,212 9.299 FindByFormula 5 Esi- 518.2039 96657 (258.0936, 3859.26)(258.6036, 170.87)(259.1008, 867.6) 50.65 (+)-Atherospermoline 13.952666 FindByFormula 27 Esi- C11141 640.2814 68871 (1279.575, 2279.92)(1281.5511, 4863.08)(1282.5673, 3406.05)(1286.5281, 2345.17)(639.274, 21193.87)(640.2737, 11218.7)(641.2746, 9881.87) 60 (+)-gamma-Hydroxy-L-homoarginine Esi-7.653 7.653 FindByFormula 7 Esi- C08286 264.1419 66885 (263.135, 7238.3)(264.1369, 1586.0) 61.49 (+/-)-alpha-Hydroxyisovaleric acid Esi-1.936 1.936 FindByFormula 8 Esi- 118.0624 3751 (117.0552, 21184.88)(118.0549, 2471.11) 62.64 (+/-)-alpha-Hydroxyisovaleric acid 2.701853 FindByFormula 34 Esi- 118.0622 3751 (117.0553, 54084.59)(118.0573, 4150.68)(119.058, 652.22) 93.63 (17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione 24.227 FindByFormula 6 HMDB35971 Esi- 466.2941 91157 (467.2831, 11430.43)(468.2852, 4886.85)(469.2844, 1728.09) 68.76 (1H-Indol-4-yl)-Carbamic Acid tert-butyl ester 5.0802283 FindByFormula 35 Esi- 231.1161 44983 (230.1089, 20358.14)(231.1124, 2713.91)(232.1134, 682.75) 72.3 (1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid Esi-0.8549233 0.8549233 FindByFormula 26 Esi- C14799 264.0486 70331 (263.0401, 126142.05)(264.0423, 17413.4)(265.0372, 48362.87)(266.0376, 8342.42) 63.61 (1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid 0.95383316 FindByFormula 36 Esi- C14799 264.0505 70331 (263.038, 221896.47)(264.0422, 20789.38)(265.0374, 56184.31)(266.0382, 7623.5) 70.29 (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid 9.485 FindByFormula 6 HMDB37942 Esi- 276.1095 92737 (275.1032, 30887.73)(276.1061, 4755.52)(277.1013, 2801.21) 73.29 (20R)-1?,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitamin D3 / (20R)-1?,25-dihydroxy-20-phenyl-16,17-didehydro-21-norcholecalciferol 11.0390005 FindByFormula 10 Esi- LMST03020585 476.3246 42513 (237.1561, 6921.39)(237.6688, 238.05)(238.1575, 1603.74) 49.27 (22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomovitamin D3 / (22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomocholecalciferol 23.755001 FindByFormula 10 Esi- LMST03020512 480.3596 42441 (479.3544, 12130.57)(480.3582, 4368.84)(481.3536, 2000.02) 76.1 (22E,24R)-Stigmasta-4,22-diene-3,6-dione 20.232498 FindByFormula 20 HMDB38656 Esi- 424.3341 93315 (423.3274, 23994.52)(424.3303, 8316.16)(425.3374, 789.36) 95.55 (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epicholecalciferol Esi-15.688002 15.688002 FindByFormula 9 Esi- LMST03020315 486.3041 42250 (487.3039, 19659.78)(488.3077, 5526.28)(489.3077, 2313.34) 72.66 (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epicholecalciferol 15.682 FindByFormula 8 Esi- LMST03020315 488.311 42250 (487.3049, 24936.32)(488.3084, 6160.17)(489.313, 2307.43) 83.06 (23S)-26,26,26,27,27,27-hexafluoro-1?,23,25-trihydroxyvitamin D3 / (23S)-26,26,26,27,27,27-hexafluoro-1?,23,25-trihydroxycholecalciferol 13.795 FindByFormula 10 Esi- LMST03020090 586.2881 42030 (585.267, 49653.93)(586.2707, 17930.87)(587.2725, 4910.64) 90.85 (24E)-3alpha,15alpha-Diacetoxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid 12.906 FindByFormula 10 HMDB35388 Esi- 568.3346 90684 (283.1611, 19918.8)(283.663, 192.7)(284.1636, 3370.58) 54.13 (24RS)-28,28,28-trifluoro-25-hydroxyvitamin D2 / (24RS)-28,28,28-trifluoro-25-hydroxyergocalciferol 15.656672 FindByFormula 34 Esi- LMST03010010 512.3138 41896 (511.3049, 13576.43)(512.3088, 4701.56)(513.3098, 1753.78) 88.42 (24S)-24-fluoro-1?,25-dihydroxyvitamin D2 / (24S)-24-fluoro-1?,25-dihydroxyergocalciferol Esi-23.75 23.75 FindByFormula 10 Esi- LMST03010012 506.3426 41898 (505.3357, 39272.01)(506.3382, 14347.95)(507.3375, 6045.61) 76.31 (24S)-24-fluoro-1?,25-dihydroxyvitamin D2 / (24S)-24-fluoro-1?,25-dihydroxyergocalciferol 23.758497 FindByFormula 36 Esi- LMST03010012 506.3428 41898 (1011.6616, 823.89)(1012.6304, 790.08)(505.3354, 45181.74)(506.3375, 15913.91)(507.3383, 6695.95) 79.87 (25R)-11alpha,20,26-trihydroxyecdysone 15.4625025 FindByFormula 16 Esi- LMST01010178 512.2986 57623 (511.2917, 26714.82)(512.2947, 9078.59)(513.2977, 3170.81) 92.69 (25R)-26,26,26-trifluoro-1?,25-dihydroxyvitamin D3 / (25R)-26,26,26-trifluoro-1?,25-dihydroxycholecalciferol 17.378 FindByFormula 3 Esi- LMST03020132 470.302 42071 (469.2931, 7293.45)(470.2927, 2555.45) 65.43 (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine Esi-15.506749 15.506749 FindByFormula 8 Esi- LMST05040008 541.338 57994 (540.3333, 735605.9)(541.3408, 127346.36)(542.3425, 29159.26)(543.3471, 17773.52) 59.53 (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine 14.561601 FindByFormula 25 Esi- LMST05040008 541.3497 57994 (1081.679, 968.62)(1082.6436, 1129.25)(540.3348, 1411441.2)(541.3395, 353555.78)(542.3391, 64242.97)(543.3365, 10409.96) 83.6 (25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside 14.340166 FindByFormula 36 Esi- LMST01080069 1288.636 84220 (1287.6273, 20213.96)(1288.6285, 14008.35)(1289.6207, 6998.79)(1290.6143, 2413.62) 72.74 (25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside Esi-13.956809 13.956809 FindByFormula 21 Esi- LMST01080069 1288.6252 84220 (1287.6241, 10851.56)(1288.6187, 7582.17)(1289.6165, 3513.45)(1290.6323, 1144.28) 73.85 (25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside Esi-14.336 14.336 FindByFormula 10 Esi- LMST01080069 1288.63 84220 (1287.6243, 15103.27)(1288.6248, 10090.5)(1289.6194, 5011.94)(1290.6249, 1148.22) 86.34 (2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone 0.6750001 FindByFormula 10 Esi- C15143 637.9304 70633 (317.9577, 43259.73)(318.4737, 994.45)(318.9595, 18684.06) 63.17 (2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein Esi-1.4988573 1.4988573 FindByFormula 7 HMDB31070 Esi- 232.0555 87387 (231.0487, 73770.28)(232.0531, 10265.97) 75.31 (2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein 1.25176 FindByFormula 25 HMDB31070 Esi- 232.0518 87387 (464.1057, 455.19)(231.0498, 68285.38)(232.0497, 13735.54)(233.0489, 2123.68) 80.08 (2R,4S)-2,4-Diaminopentanoate 0.76060003 FindByFormula 25 Esi- C03943 132.0905 63633 (131.0833, 791147.44)(132.0883, 22338.17)(133.0912, 3869.23) 90.5 (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1-6)-b-D-glucopyranoside] 17.81 FindByFormula 6 HMDB41255 Esi- 414.1746 95673 (413.167, 68226.61)(414.1699, 22690.28)(415.1704, 7480.87) 75.4 (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 6.343 FindByFormula 3 HMDB33217 Esi- 204.1365 89084 (203.1303, 5861.4)(204.1305, 817.98) 71.59 (2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol 20.833002 FindByFormula 10 HMDB35154 Esi- 424.3912 90490 (423.3836, 2989.9)(424.3864, 965.24) 77.18 (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.684941 13.684941 FindByFormula 36 HMDB41331 Esi- 556.3277 95740 (555.3158, 464494.6)(556.3228, 74111.13)(557.3258, 18822.09) 67.43 (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside 13.737778 FindByFormula 36 HMDB41331 Esi- 556.3248 95740 (555.3167, 411359.62)(556.3229, 72709.67)(557.3267, 20633.92) 73.41 (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.668497 13.668497 FindByFormula 20 HMDB41331 Esi- 556.3262 95740 (555.3167, 411359.62)(556.3229, 72709.67)(557.3267, 20633.92) 73.41 (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.446557 13.446557 FindByFormula 18 HMDB41331 Esi- 556.3247 95740 (555.3178, 281713.1)(556.324, 58988.61)(557.3265, 14571.0) 78.45 (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-16.573 16.573 FindByFormula 3 HMDB41331 Esi- 496.3036 95740 (495.2955, 26032.09)(496.2979, 8644.37)(497.3006, 2233.74) 93.55 (3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol 18.386 FindByFormula 10 HMDB34553 Esi- 1068.8058 90018 (533.3959, 7327.41)(534.3967, 3131.17)(535.413, 13760.53) 53.9 (3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-[4'-(2''-glucosyl-3''-xylosyl)-galactoside] 14.032 FindByFormula 5 HMDB36567 Esi- 1170.4982 91641 (584.2396, 35828.88)(584.7508, 1810.45) 51.58 (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol 15.292 FindByFormula 4 Esi- C14883 400.2584 70386 (399.2568, 5462.53)(400.257, 1931.22) 61.01 (3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol 19.388 FindByFormula 6 HMDB30014 Esi- 494.3928 86665 (493.3892, 17556.82)(494.3914, 6281.34)(495.3997, 5058.14) 66.86 (3Z)-Phytochromobilin 20.418001 FindByFormula 26 Esi- C05913 584.265 63938 (1167.527, 812.56)(1168.5092, 571.08)(1169.534, 543.96)(583.2565, 20627.18)(584.2597, 7963.53)(585.2613, 2158.22) 97.99 (4OH,8Z,t18:1) sphingosine 14.269 FindByFormula 3 Esi- LMSP01080009 315.2798 53909 (156.6326, 4833.39)(157.1256, 479.73) 57.4 (4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane 7.179 FindByFormula 2 Esi- LMPK09000008 172.1107 102847 (171.1055, 8464.77)(172.1075, 1708.9) 40.05 (5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl ester 16.573887 FindByFormula 36 Esi- C11568 355.1216 69101 (354.1212, 23500.68)(355.1249, 7244.12)(356.1733, 422.17) 59.17 (5Z,7E)-(1R,3R)-1,25-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3-ol 19.067 FindByFormula 10 Esi- LMST03020667 420.3208 42593 (209.1571, 329.77)(419.3142, 15198.32)(420.3181, 4222.71) 79.13 (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 0.9379999 FindByFormula 21 HMDB38710 Esi- 508.1932 93365 (253.0914, 15094.7)(253.5895, 445.18)(254.0983, 376.81)(507.1975, 715.98) 54.96 (Ac)2-L-Lys-D-Ala-D-Ala Esi-14.157999 14.157999 FindByFormula 9 Esi- C03326 372.2019 65956 (371.1953, 6296.23)(372.1958, 905.48)(373.1968, 1938.52) 60.3 (Ac)2-L-Lys-D-Ala-D-Ala 14.727 FindByFormula 5 Esi- C03326 432.225 65956 (431.2144, 17808.82)(432.2192, 4937.83) 73.36 (E)-1,2-bis(6-methoxyquinolin-4-yl)ethene Esi-5.559 5.559 FindByFormula 3 Esi- 388.1404 96339 (387.1354, 14023.12)(388.1374, 3058.91) 80.32 (E)-1,2-bis(6-methoxyquinolin-4-yl)ethene 17.35978 FindByFormula 36 Esi- 402.1559 96339 (401.1512, 37110.11)(402.1539, 14107.35)(403.1559, 4273.53) 83.25 (E)-2-Methylglutaconic acid 0.754 FindByFormula 6 HMDB02266 Esi- 144.0443 6584 (143.0372, 62710.37)(144.0389, 4867.53) 63.35 (E)-Squamosamide 18.233997 FindByFormula 10 HMDB41088 Esi- 525.2023 95521 (524.1947, 5193.04)(525.1931, 1902.78)(526.207, 468.04) 77.19 (N-Acetylglucosaminyl)2-diphosphodolichol 15.298998 FindByFormula 10 HMDB12126 Esi- C04537 1767.1147 62801 (882.5533, 20193.36)(883.0509, 610.03)(883.5552, 12102.06) 44.2 (R)-(+)-2-Pyrrolidone-5-carboxylic acid 0.9440001 FindByFormula 9 HMDB00805 Esi- C02237 129.0359 63632 (257.0399, 24224.51)(258.0459, 3493.05)(258.997, 15211.27)(128.0354, 132138.45)(129.0266, 10011.08) 73.79 (R)-(E)-Sulforaphene 0.8019999 FindByFormula 10 HMDB31573 Esi- 221.0194 87778 (220.0125, 15652.54)(221.0206, 2017.83)(222.014, 561.78) 50.55 (R)-Apiumetin 4.226112 FindByFormula 36 HMDB40876 Esi- 244.0727 95330 (121.0324, 2639.52)(243.0659, 15534.46)(244.0655, 1676.76)(245.0571, 111.97) 81.66 (R)C(R)S-S-Propylcysteine sulfoxide Esi-5.548 5.548 FindByFormula 8 HMDB29442 Esi- 239.0821 86270 (238.0755, 6979.82)(239.0739, 1436.41) 52.66 (R)C(R)S-S-Propylcysteine sulfoxide 3.9776256 FindByFormula 16 HMDB29442 Esi- 225.067 86270 (224.06, 9948.14)(225.0648, 2300.54) 55.06 (R)C(R)S-S-Propylcysteine sulfoxide Esi-4.974923 4.974923 FindByFormula 13 HMDB29442 Esi- 179.0624 86270 (178.0552, 21615.94)(179.0577, 5879.1)(180.066, 534.33) 59.91 (R)-SLV 319 Esi-0.822 0.822 FindByFormula 6 Esi- 606.1182 64670 (302.048, 6227.46)(302.5577, 255.37)(303.0484, 68561.07) 48.18 (R)-SLV 319 0.82600003 FindByFormula 6 Esi- 606.1048 64670 (302.0475, 8737.04)(302.5412, 88.94)(303.0465, 17768.65) 68.66 (S)-(-)-2-Hydroxyisocaproic acid Esi-5.6432767 5.6432767 FindByFormula 36 Esi- 132.0819 4142 (131.0721, 708851.7)(132.0783, 25130.19)(133.0798, 3486.24) 89.62 (S)-(-)-2-Hydroxyisocaproic acid 5.472 FindByFormula 36 Esi- 132.0798 4142 (131.0719, 1016963.56)(132.0781, 33230.97)(133.0791, 4702.36) 91.07 (S)-2-Hydroxypropyl-CoM 8.085 FindByFormula 10 Esi- C11498 200.0184 69073 (199.0114, 9477.55)(200.0101, 777.24)(201.0058, 1161.62) 84.95 (S)-Batatic acid 6.2529473 FindByFormula 19 HMDB35721 Esi- 196.0746 90977 (195.0675, 5740.13)(196.0707, 765.14) 78.94 (S)-Menthone 8-thioacetate 11.133035 FindByFormula 28 HMDB37386 Esi- 288.1411 92305 (287.1329, 8191.39)(288.1356, 1720.65)(289.1423, 556.53) 80.02 (S)-Mevalonic acid 1.1476191 FindByFormula 21 HMDB00227 Esi- C02104 LMFA01050352 148.0706 127 (147.0656, 36687.32)(148.0612, 491.03)(149.0565, 490.39) 79.16 (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1-2)-b-D-glucopyranoside] 12.856335 FindByFormula 9 HMDB40844 Esi- 530.3108 95302 (529.3032, 44062.48)(530.3065, 11729.66)(531.3051, 3508.26) 91.47 (S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1-4)-a-L-rhamnopyranosyl-(1-2)-[a-L-rhamnopyranosyl-(1-6)]-b-D-glucopyranoside] 17.9975 FindByFormula 14 HMDB40847 Esi- 882.4498 95305 (881.4387, 9079.65)(882.4426, 5775.85)(883.4452, 1914.84) 82.19 (S1)-Methoxy-3-heptanethiol 10.62546 FindByFormula 26 HMDB32380 Esi- 222.13 88407 (221.1226, 6323.56)(222.1259, 937.28)(223.1142, 103.49) 87.11 (Z)-22-Hentriacontene-2,4-dione 22.123665 FindByFormula 9 HMDB35953 Esi- 508.4497 91139 (507.4381, 10836.84)(508.4418, 3756.15)(509.4451, 847.55) 76.7 (Z)-2-Decene-4,6,8-triyn-1-ol 3.2672362 FindByFormula 34 HMDB31001 Esi- 144.059 87341 (143.0516, 10262.49)(144.0474, 304.46)(145.047, 908.22) 58.88 (Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone 0.8214 FindByFormula 15 HMDB33845 Esi- 192.0241 89567 (191.0165, 56938.3)(192.0301, 19151.0) 35 (Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide Esi-0.829 0.829 FindByFormula 8 HMDB32124 Esi- 225.9919 88207 (451.1166, 2749.84)(226.9891, 389146.8)(227.9954, 19342.68)(228.9911, 79822.1)(229.996, 3376.49) 47.78 (Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide 0.8285716 FindByFormula 14 HMDB32124 Esi- 227.9938 88207 (226.9894, 645828.75)(227.9958, 27995.83)(228.9909, 115384.88) 50.77 ?-D-Glucose 0.7530001 FindByFormula 10 HMDB03345 Esi- C00267 180.0639 133 (359.1246, 12312.03)(179.0565, 1156370.5)(180.0631, 40233.82)(181.0687, 20438.09) 89.85 ?-Hydroxyisobutyrate 1.5208329 FindByFormula 36 HMDB00729 Esi- 104.0444 3750 (207.0853, 13009.75)(208.0881, 574.58)(103.038, 2848955.5)(104.0436, 84236.86)(105.0444, 13271.54) 76.44 1-(10-methyl-hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine 14.891 FindByFormula 3 Esi- LMGP02080004 739.5199 77705 (738.5468, 13080.49)(739.5489, 12208.7)(740.5457, 7855.76) 63.55 1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate 15.303829 FindByFormula 36 HMDB37551 Esi- 505.1394 92408 (504.1339, 18685.83)(505.1356, 8726.45)(506.13, 5986.98) 34.62 1(3)-glyceryl-6-keto-PGF1? 11.434075 FindByFormula 26 Esi- LMFA03010187 444.2744 36234 (221.1187, 590.16)(443.268, 74245.95)(444.2717, 19465.95)(445.2659, 28988.68)(446.2685, 8191.3)(447.2698, 2340.12) 61.57 1(3)-glyceryl-6-keto-PGF1? Esi-10.624619 10.624619 FindByFormula 21 Esi- LMFA03010187 444.2693 36234 (221.1233, 5324.53)(222.1258, 892.56)(443.267, 16185.88)(444.2702, 4523.7)(445.2664, 6225.18)(446.2675, 1753.88) 63.27 1(3)-glyceryl-PGF2? 13.529197 FindByFormula 31 Esi- LMFA03010181 428.2781 36228 (427.2709, 22974.64)(428.2741, 6606.66)(429.2696, 8254.46)(430.269, 2370.08) 58.17 1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione 10.7476 FindByFormula 15 Esi- C17745 276.1317 64193 (275.129, 19049.09)(276.1322, 2892.7)(277.125, 1004.16) 86.43 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide 1.176 FindByFormula 7 Esi- C04734 426.0785 3506 (425.0681, 6023.36)(426.0817, 1980.2)(427.0776, 2297.67)(428.0826, 1225.82) 55.47 1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol) 14.2769985 FindByFormula 20 Esi- LMGP04110002 797.4875 46737 (1593.9688, 45895.34)(1594.9677, 39080.98)(1595.9686, 23726.11)(1596.9698, 9807.78)(1597.9703, 3934.92)(796.4802, 5150.22)(797.4841, 3006.75)(798.4685, 445.81) 87.4 1-(9,14-dimethyl-pentadecanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol 19.104698 FindByFormula 23 Esi- LMGL02070006 708.5482 75577 (353.2686, 38745.59)(353.7639, 489.26)(354.272, 10182.32) 62.71 1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol 9.872169 FindByFormula 36 HMDB35193 Esi- 302.1257 90513 (301.1197, 56836.82)(302.1231, 10504.91)(303.1211, 4335.04) 87.82 1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol Esi-9.872001 9.872001 FindByFormula 10 HMDB35193 Esi- 302.1271 90513 (301.1197, 56836.82)(302.1231, 10504.91)(303.1211, 4335.04) 87.82 1-(Indol-3-yl)propanol 3-phosphate 1.4006364 FindByFormula 22 Esi- C04229 301.0711 66142 (300.0652, 27616.72)(301.0654, 5920.98)(302.0661, 3052.24) 67.1 1-(naphthalen-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone 6.6535606 FindByFormula 25 Esi- 426.0347 96303 (425.0292, 9380.74)(426.0242, 2380.93)(427.0256, 1027.49) 84.86 1-(O-alpha-D-mannopyranosyl)-(1,3R,25S,27R)-octacosanetetraol 23.789 FindByFormula 9 Esi- LMFA13010016 1361.0358 46590 (679.5028, 3993.72)(680.5097, 2312.63) 37.62 1,1'-Bis(2-hydroxy-3-methylcarbazole) 18.267076 FindByFormula 26 HMDB40776 Esi- 452.1864 95241 (907.3649, 1349.74)(451.1701, 72345.76)(452.1735, 19498.21)(453.1665, 31178.43)(454.1687, 9455.31)(455.168, 6280.59) 61.82 1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene 14.904398 FindByFormula 25 HMDB40520 Esi- 312.1903 95011 (311.1833, 19175.97)(312.1851, 4006.05)(313.1843, 736.21) 73.61 1,2,3-Trichlorobenzene 0.9250001 FindByFormula 10 Esi- C14408 299.9733 70037 (148.9797, 159151.84)(149.4821, 2208.26)(149.9829, 7925.21) 48.59 1,2-Di(2-pyridyl)ethylene 0.6831764 FindByFormula 17 Esi- 242.1033 96369 (241.0982, 36221.2)(242.1018, 3152.14) 74.84 1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridine 17.576 FindByFormula 26 HMDB41063 Esi- 347.1232 95496 (346.1115, 11566.47)(347.1131, 3240.05)(348.1088, 4450.02)(349.108, 1210.15) 59.01 1,2-Distearoyl phosphatidyl serine 14.966001 FindByFormula 6 Esi- 791.5718 177 (790.5565, 3191.64)(791.5606, 1960.67)(792.574, 6098.1)(793.5775, 3292.9)(794.5751, 1138.8) 49.86 1,2-Glyceryl dinitrate 1.2726777 FindByFormula 31 Esi- 182.0179 1582 (363.0261, 2414.35)(365.0442, 16010.07)(181.012, 45840.7)(182.0116, 5040.25) 56.28 1,2-Glyceryl dinitrate Esi-1.2638462 1.2638462 FindByFormula 13 Esi- 182.0185 1582 (181.0119, 37681.55)(182.0116, 4146.8) 57.56 1,2-Glyceryl dinitrate glucuronide 6.648666 FindByFormula 36 Esi- 358.0464 1583 (357.0408, 19613.94)(358.0409, 3555.6)(359.0424, 1134.71) 69.83 1,3,5-Trihydroxy-10-methylacridone Esi-5.972 5.972 FindByFormula 15 HMDB41468 Esi- 303.0714 95860 (302.0643, 8375.49)(303.069, 2392.43)(304.078, 968.78) 56.15 1,3,5-Trihydroxy-10-methylacridone 6.4688334 FindByFormula 36 HMDB41468 Esi- 303.0696 95860 (605.1483, 618.74)(606.1612, 615.98)(302.0644, 9152.04)(303.0718, 2737.3)(304.0714, 1160.03) 57.47 1,3-Dinitropyrene 1.5165455 FindByFormula 22 Esi- C19408 292.0464 73111 (145.0147, 3415.02)(291.038, 43727.75)(292.048, 17321.08)(293.044, 10592.32) 55.57 1,4-Benzenediol, 2,6-bis(1-methylethyl)-, 4-(hydrogen sulfate) 7.221 FindByFormula 2 Esi- 334.1087 2160 (333.1015, 7035.42)(334.1031, 1894.91) 61.47 1,4-beta-D-Glucan 1.1479999 FindByFormula 7 HMDB06944 Esi- C00760 536.1619 58599 (267.0744, 47304.77)(267.5834, 413.59)(268.0762, 7682.0)(535.1319, 2843.23) 44.97 1,4-Bis(chloromethoxymethyl)benzene 0.8765142 FindByFormula 35 Esi- C19349 280.0407 73054 (559.0711, 161.6)(279.0187, 1278877.2)(280.0265, 68933.09)(281.0171, 379066.2)(282.023, 24880.14) 65.28 1,5-Diferuloylquinic acid 3.2540002 FindByFormula 10 HMDB41641 Esi- 544.1559 96004 (271.0705, 123818.83)(271.5789, 265.38)(543.134, 2847.69) 49.18 1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol 14.954001 FindByFormula 6 Esi- LMFA05000029 258.1611 36486 (257.1544, 5148.4)(258.1582, 926.27)(259.1521, 562.74) 70.14 1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-phenylcholecalciferol 11.860397 FindByFormula 15 Esi- LMST03020529 492.3561 42458 (491.3499, 9989.44)(492.3537, 3634.63)(493.3544, 1317.49) 73.18 1?,25-dihydroxy-24a-homo-22-thia-20-epivitamin D3 / 1?,25-dihydroxy-24a-homo-22-thia-20-epicholecalciferol 23.724 FindByFormula 1 Esi- LMST03020264 494.3101 42200 (493.2976, 13127.63)(494.2953, 6359.85)(495.3143, 9494.24) 44.77 1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25-dihydroxy-25,25-diphenyl-26,27-dinorcholecalciferol 17.311 FindByFormula 2 Esi- LMST03020543 586.3705 42471 (585.3578, 620151.1)(586.3654, 107803.77)(587.368, 26015.26) 65.01 1?,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norvitamin D3 / 1?,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norcholecalciferol 10.772 FindByFormula 1 Esi- LMST03020545 506.2254 42473 (505.2182, 25494.62)(506.2217, 7632.38)(507.2246, 2197.42) 96.13 1?,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxavitamin D3 / 1?,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxacholecalciferol 18.791 FindByFormula 10 Esi- LMST03020326 446.3383 42260 (445.3317, 16996.01)(446.3352, 5774.69) 77.34 1?-hydroxy-2?-(3-hydroxypropoxy) vitamin D3 / 1?-hydroxy-2?-(3-hydroxypropoxy)cholecalciferol Esi-18.329 18.329 FindByFormula 1 Esi- LMST03020468 474.3738 42397 (473.366, 5175.13)(474.3683, 1999.82) 64.73 1?-hydroxy-2?-(3-hydroxypropoxy) vitamin D3 / 1?-hydroxy-2?-(3-hydroxypropoxy)cholecalciferol 19.623497 FindByFormula 16 Esi- LMST03020468 474.3693 42397 (473.3613, 23322.37)(474.3646, 8298.49)(475.3707, 3037.66) 79.91 1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol 20.361385 FindByFormula 36 Esi- LMST03020522 502.4024 42451 (501.3942, 9069.15)(502.3971, 3376.7)(503.4064, 2186.8)(504.4113, 711.72) 68.06 1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol Esi-21.0028 21.0028 FindByFormula 5 Esi- LMST03020522 502.401 42451 (501.3943, 14637.05)(502.3984, 5627.55) 74.58 1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol Esi-20.962 20.962 FindByFormula 2 Esi- LMST03020522 502.4019 42451 (501.3943, 14637.05)(502.3984, 5627.55) 74.58 10S-HODE 14.015882 FindByFormula 25 Esi- LMFA02000066 296.2354 96885 (295.2278, 76107.37)(296.2306, 16913.43)(297.2329, 2682.8) 97.91 11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate 8.741 FindByFormula 5 Esi- LMFA07010258 316.1488 46257 (315.142, 5733.14)(316.145, 1071.49)(317.1365, 2370.66) 61.68 11,12,13-trihydroxy-9-octadecenoic acid 16.900164 FindByFormula 36 Esi- 330.2406 35505 (329.2356, 17313.29)(330.2383, 3822.45)(331.2428, 638.19) 85.28 11-O-Demethylpradimicinone II Esi-1.17 1.17 FindByFormula 6 Esi- C06778 551.1063 66538 (550.1006, 11841.0)(551.1036, 2337.83) 66.65 11-O-Demethylpradimicinone II 19.403141 FindByFormula 7 Esi- C06778 551.109 66538 (550.102, 16447.52)(551.1073, 6645.57)(552.1092, 1452.87) 67.29 12(13)-EpOME 14.2563 FindByFormula 20 HMDB04702 Esi- C14826 LMFA02000038 296.2342 63352 (591.4578, 2278.73)(592.4873, 235.97)(593.4484, 561.17)(147.1096, 897.73)(295.2281, 22721.46)(296.2313, 5065.43)(297.2361, 1191.98) 96.29 12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid 16.976 FindByFormula 8 Esi- LMFA01150002 350.2806 45904 (349.2743, 4115.37)(350.2736, 1284.6)(351.2687, 451.06) 54.97 12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione 15.314499 FindByFormula 36 Esi- C14923 378.1941 70425 (377.1856, 35948.72)(378.1893, 10039.68)(379.1852, 13227.64)(380.1876, 3553.67)(381.1714, 1449.9)(382.2181, 1715.63)(383.2212, 726.57)(384.2151, 859.85) 81.73 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one 6.470296 FindByFormula 34 Esi- C15164 368.1979 70654 (367.1939, 8050.71)(368.1962, 2217.03)(369.1968, 1091.77) 75.6 12alpha-Methylpregna-4,9(11)-diene-3,20-dione 16.759 FindByFormula 20 Esi- C15190 326.2222 70679 (325.2177, 15484.99)(326.2215, 3798.74)(327.226, 1131.17) 93.37 12alpha-Methylpregna-4,9(11)-diene-3,20-dione Esi-15.2185 15.2185 FindByFormula 34 Esi- C15190 326.2357 70679 (325.2168, 27172.04)(326.2191, 7233.77)(327.2221, 1491.83) 94.32 12R-HOME(13Z) 17.293 FindByFormula 20 Esi- LMFA02000085 298.262 96903 (297.2469, 106804.82)(298.2497, 23488.95)(299.2545, 3672.86) 71.73 12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid Esi-15.246286 15.246286 FindByFormula 14 Esi- 320.2306 36316 (319.2258, 1233330.4)(320.2329, 144777.53)(321.2376, 25328.39) 65.84 12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid 14.975389 FindByFormula 23 Esi- 320.2347 36316 (319.226, 49161.63)(320.2307, 12083.56)(321.2356, 3820.9) 82.33 13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester 13.774 FindByFormula 10 Esi- C11830 672.2546 63925 (1343.5057, 1798.24)(1344.5134, 2133.17)(1345.5164, 1258.59)(671.2388, 7946.17) 37.62 13-(2-Methylcrotonoyl)oxylupanine 8.566797 FindByFormula 35 Esi- C04170 392.2291 64459 (391.2217, 15028.49)(392.2248, 4060.69)(393.2331, 987.88) 82.35 13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4 12.296645 FindByFormula 25 Esi- 396.2594 96535 (395.2527, 8973.5)(396.2569, 2396.83)(397.2516, 805.16) 64.73 13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4 Esi-7.218078 7.218078 FindByFormula 13 Esi- 488.2723 96535 (243.1297, 30299.52)(243.6307, 399.17)(244.1324, 4167.38) 71.01 13-Dihydrocarminomycin 17.999752 FindByFormula 16 Esi- C12431 515.1837 63810 (1029.3756, 2361.13)(1030.3713, 1473.92)(1031.3536, 1197.92)(514.176, 7618.15)(515.1762, 4514.02)(516.1733, 1790.53) 50.56 14,14,14-Trifluoro-11E-tetradecenyl acetate 23.735 FindByFormula 6 Esi- LMFA07010327 354.3282 46326 (709.4285, 5015.44)(353.1967, 24451.18)(354.1811, 2877.82) 66.94 14,14,14-Trifluoro-11Z-tetradecenyl acetate 18.832 FindByFormula 1 Esi- LMFA07010328 354.2062 46327 (353.192, 1405.51)(354.2066, 626.48) 47.52 14,15-HxA3-C(11S) 15.468001 FindByFormula 7 Esi- LMFA03090008 703.3371 75057 (702.3301, 100852.38)(703.3329, 36666.16)(704.3311, 10955.48) 89.12 14,15-LTC4 14.157572 FindByFormula 28 Esi- LMFA03020031 671.2922 45962 (1341.5667, 3251.07)(1342.5822, 3538.96)(670.2967, 71994.59)(671.2998, 28329.15)(672.2968, 44548.57)(673.3114, 41687.84) 58.83 14,19-Dihydroaspidospermatine Esi-19.115 19.115 FindByFormula 2 HMDB30359 Esi- 340.2163 86912 (339.2091, 65699.27)(340.2155, 22992.2)(341.213, 4930.41) 65.74 14,19-Dihydroaspidospermatine 19.246 FindByFormula 3 HMDB30359 Esi- 340.2113 86912 (339.2085, 102288.07)(340.2114, 24442.97)(341.2071, 8798.39) 83.69 14alpha-Hydroxyixocarpanolide 0.9569999 FindByFormula 7 HMDB34334 Esi- 488.2723 89855 (243.1326, 10535.34)(243.6359, 449.08)(244.128, 1921.5) 61.17 14-chlorotetracosane-1,15-disulfate 13.984611 FindByFormula 36 Esi- LMFA00000023 610.2643 96752 (1219.528, 650.09)(1221.5121, 1221.32)(609.2518, 478473.44)(610.2587, 103363.45)(611.2645, 25411.78) 56.09 14-chlorotetracosane-1,15-disulfate Esi-13.981997 13.981997 FindByFormula 20 Esi- LMFA00000023 610.2598 96752 (1219.5599, 1614.86)(1220.4921, 83.35)(609.2535, 447694.72)(610.2603, 97757.64)(611.2659, 24235.98) 56.61 15(S)-15-methyl PGF2? isopropyl ester 10.724 FindByFormula 6 Esi- 502.3162 64688 (250.1511, 6032.86)(250.6486, 53.63)(251.1459, 2075.3) 55.11 15(S)-HETE-biotin 11.983111 FindByFormula 36 Esi- 560.3438 45652 (279.1643, 15226.76)(279.6628, 46.86)(280.1685, 3208.56)(559.3375, 2247.46) 39.85 15(S)-HETE-biotin Esi-23.795 23.795 FindByFormula 9 Esi- 560.336 45652 (559.3314, 13687.98)(560.3345, 4987.97)(561.3322, 2428.14) 89.7 15-HETE-VA 10.199 FindByFormula 9 Esi- LMFA08020152 910.6142 75533 (454.3002, 30420.03)(455.3029, 6388.88) 47.95 15-methoxy-tricosanoic acid 22.586851 FindByFormula 26 Esi- LMFA01080016 384.36 96777 (383.3526, 4229.22)(384.3559, 1264.73) 79.99 16:1 Campesteryl ester 15.328587 FindByFormula 17 Esi- LMST01020057 636.5706 103374 (317.2867, 53516.36)(317.7972, 11770.31)(318.2747, 20916.48) 48.45 16?-Hydroxy-17-epistanozolol 16.127499 FindByFormula 20 Esi- 390.2515 2493 (389.2446, 10960.06)(390.25, 2889.21)(391.2419, 2998.18) 54.66 16?-Hydroxy-17-epistanozolol Esi-14.794 14.794 FindByFormula 7 Esi- 344.2517 2493 (343.2414, 8021.47)(344.243, 2452.21)(345.2523, 611.95) 70.37 16?-Hydroxy-17-epistanozolol Esi-15.883 15.883 FindByFormula 6 Esi- 344.2457 2493 (343.2383, 8311.16)(344.2402, 2537.56) 71.43 16-a-Hydroxypregnenolone 14.992998 FindByFormula 9 HMDB00315 Esi- C06390 LMST02030172 332.2332 5304 (331.2272, 7729.75)(332.2313, 2174.0) 78.19 16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid 14.876 FindByFormula 6 HMDB40711 Esi- 468.3271 95185 (233.1564, 33254.55)(233.6577, 100.0)(234.1596, 6200.29) 51.7 16-Hydroxy-10-oxohexadecanoic acid 14.72 FindByFormula 4 HMDB41287 Esi- 332.2169 95701 (331.2116, 7449.01)(332.215, 1540.66)(333.2093, 3059.05)(334.2176, 471.36) 37.47 17,20-Hexacosadienoic acid 20.359 FindByFormula 9 Esi- 438.3711 34808 (437.3626, 11002.23)(438.3654, 3478.79) 76.1 17,20-Hexacosadienoic acid Esi-20.101692 20.101692 FindByFormula 26 Esi- 438.3708 34808 (437.3633, 19570.2)(438.367, 6103.66)(439.3719, 1673.0) 95.69 17-?, 21-Dihydroxy-11,20-dioxo-5-?-pregnan-3-?-yl-?-d-glucuronide 14.0235 FindByFormula 36 Esi- 586.2656 4094 (585.2528, 312141.6)(586.2594, 70805.91)(587.2617, 15466.69) 79.04 17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol 20.776365 FindByFormula 11 Esi- C15163 437.2596 70653 (436.2519, 7088.81)(437.2522, 2658.58)(438.2534, 842.03) 72.16 17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol 18.557 FindByFormula 6 Esi- C14966 423.2925 70465 (422.2895, 6117.08)(423.2892, 1803.46)(424.2878, 767.28) 51.11 17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate 9.292 FindByFormula 10 Esi- C15180 538.2609 70670 (268.1234, 14721.71)(268.6171, 144.27)(269.1276, 1294.65) 59.44 17beta-Hydroxy-4-methylandrost-4-en-3-one 15.325167 FindByFormula 36 Esi- C15412 302.2254 70881 (301.2172, 86302.59)(302.2203, 19891.53)(303.2245, 3684.23) 98.9 17beta-Pyrazol-3-ylandrost-5-en-3beta-ol 18.424868 FindByFormula 23 Esi- C15197 400.2642 70685 (399.2635, 10879.68)(400.2658, 3493.91)(401.2622, 820.27) 71.26 17-phenyl-trinor-PGE2 14.478114 FindByFormula 36 Esi- LMFA03010067 386.2158 36138 (385.204, 41133.3)(386.2077, 11063.3)(387.2087, 2582.07) 88.68 17-trifluoromethylphenyl trinor PGF2? 18.921999 FindByFormula 9 Esi- 456.2099 45726 (227.0952, 279.24)(455.202, 30284.0)(456.2074, 12373.48)(457.2108, 4398.37) 62.72 17-trifluoromethylphenyl trinor PGF2? methyl ester 8.443 FindByFormula 3 Esi- 470.2223 64694 (469.2171, 5438.0)(470.224, 1434.51)(471.2192, 763.87) 52.82 17-trifluoromethylphenyl-13,14-dihydro trinor PGF2? 15.318 FindByFormula 3 Esi- 504.2325 45727 (503.2266, 7116.96)(504.2291, 2416.98) 73.76 18-bromo-8E,17E19Z-tricosatrien-4,6-diynoic acid 14.4835005 FindByFormula 36 Esi- LMFA01090107 418.1526 96834 (208.0744, 1961.01)(417.1422, 23239.56)(418.1463, 8961.42)(419.1455, 3174.79) 63.18 18-hydroxypregna-1,4,20-trien-3-one Esi-16.252502 16.252502 FindByFormula 20 Esi- LMST02030209 312.2154 84299 (311.2048, 16245.58)(312.2091, 4366.72)(313.2111, 638.75) 70.25 18-hydroxypregna-1,4,20-trien-3-one 16.247688 FindByFormula 26 Esi- LMST02030209 312.2111 84299 (311.201, 16831.55)(312.2073, 4400.48)(313.2091, 1121.21) 88.24 19-Chloro-17beta-hydroxyandrost-4-en-3-one 14.018 FindByFormula 4 Esi- C15024 322.1701 70519 (321.1649, 9223.4)(322.1684, 2313.93) 45.58 19-Hydroxycinnzeylanol 19-glucoside 13.988833 FindByFormula 36 HMDB36856 Esi- 562.263 91864 (561.2553, 124397.52)(562.2595, 35833.52)(563.2616, 8481.06) 99.07 1b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid 19.759165 FindByFormula 36 HMDB00307 Esi- 424.2785 5296 (423.2735, 16545.45)(424.2753, 4319.47)(425.2739, 1216.42) 78.15 1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline 14.113 FindByFormula 9 Esi- C11563 395.162 69096 (789.3333, 981.63)(790.322, 446.42)(394.1541, 7549.47)(395.1655, 3400.5)(396.1567, 1234.75) 63.2 1-Benzyloxycarbonylaminophenethyl Chloromethyl Ketone Esi-5.037 5.037 FindByFormula 1 Esi- 377.1015 44317 (376.0956, 7766.44)(377.0968, 3152.54) 53.97 1-Benzyloxycarbonylaminophenethyl Chloromethyl Ketone 0.83749974 FindByFormula 32 Esi- 391.1163 44317 (390.1099, 12596.67)(391.1084, 3283.38)(392.12, 2895.37) 60.49 1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- 15.333002 FindByFormula 10 Esi- 208.1093 2291 (415.2122, 3558.46)(416.2161, 930.91)(207.1021, 14544.17) 46.11 1-epi-Fortimicin B Esi-12.41777 12.41777 FindByFormula 26 Esi- C17978 394.2442 71974 (393.2377, 19079.62)(394.2402, 5836.89)(395.2459, 1906.25) 63.98 1-epi-Fortimicin B 18.39506 FindByFormula 36 Esi- C17978 348.2365 71974 (347.2284, 43226.16)(348.231, 10019.49)(349.2328, 1826.5) 86.77 1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 Esi-12.445 12.445 FindByFormula 2 Esi- LMST03020637 477.3302 42563 (477.3312, 3281.7)(478.3199, 2351.82)(479.3351, 805.88) 34.93 1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 17.910727 FindByFormula 36 Esi- LMST03020637 418.3148 42563 (417.3084, 11064.61)(418.3113, 3718.51)(419.3227, 9437.69)(420.3259, 2645.29) 37.71 1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 Esi-15.548998 15.548998 FindByFormula 7 Esi- LMST03020637 464.3185 42563 (463.3116, 27780.53)(464.3202, 11798.52)(465.315, 12654.94)(466.3205, 7115.13) 53 1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate Esi-1.7930001 1.7930001 FindByFormula 8 Esi- C01294 301.0689 64554 (300.0602, 44678.54)(301.0623, 7468.87)(302.0665, 4216.12) 79.45 1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate 1.8156668 FindByFormula 36 Esi- C01294 301.0639 64554 (300.0601, 63458.68)(301.0622, 10747.68)(302.0652, 4543.55) 83.51 1-Hydroxycarvedilol 15.728995 FindByFormula 36 HMDB13950 Esi- 422.1864 85319 (210.0828, 206.62)(421.1808, 26150.87)(422.1851, 10248.76)(423.1838, 3965.46) 50.07 1-Methylhypoxanthine 0.7825833 FindByFormula 12 Esi- 150.0518 3779 (299.0959, 5043.39)(149.0482, 28332.18)(150.0505, 2842.98) 77.27 1-O-[2''-sulfo-alpha-D-Mannosyl -1''-2'-alpha-D-Glucosyl]-sn-2,3-di-O-phytanylglycerol 15.910001 FindByFormula 6 Esi- LMGL05030003 2205.4976 46665 (1101.7397, 4253.57)(1102.7363, 2771.22)(1103.7192, 1787.75) 50.57 1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose 1.316 FindByFormula 6 HMDB40866 Esi- 356.0995 95322 (355.1013, 22940.84)(356.1026, 4889.05)(357.1048, 386.4) 75.67 1'-O-Acetylpaxilline 8.841001 FindByFormula 14 HMDB37530 Esi- 477.2521 92396 (476.2448, 8746.52)(477.2474, 3093.33)(478.228, 417.68) 73.98 1-O-Galloylglycerol 1.8622859 FindByFormula 14 HMDB39177 Esi- 304.077 93771 (303.0702, 5659.57)(304.0787, 25372.29)(305.0815, 4495.2) 33.52 1-O-Galloylglycerol Esi-0.86399996 0.86399996 FindByFormula 10 HMDB39177 Esi- 580.1309 93771 (289.0557, 4013.8)(290.0594, 21532.26) 58.08 1-Phenyl-1,3-octadecanedione Esi-19.642 19.642 FindByFormula 6 HMDB35583 Esi- 358.2869 90863 (357.2818, 8505.68)(358.283, 1933.46)(359.2777, 1114.64) 66.94 1-Phenyl-1,3-octadecanedione 19.649998 FindByFormula 10 HMDB35583 Esi- 716.5743 90863 (357.2787, 12744.94)(358.2813, 3888.47)(359.2788, 1478.32) 69.4 2-(4-Hydroxyphenyl)naphthalic anhydride Esi-7.146 7.146 FindByFormula 1 HMDB41121 Esi- 290.0581 95551 (289.0498, 6096.15)(290.0529, 1352.79) 80.97 2-(4-Hydroxyphenyl)naphthalic anhydride 6.653835 FindByFormula 36 HMDB41121 Esi- 290.0581 95551 (289.0518, 82446.96)(290.0544, 12202.05)(291.0561, 2423.7) 89.63 2-(7'-Methylthio)heptylmalic acid 10.735002 FindByFormula 26 Esi- C17230 324.12 64508 (323.1163, 8412.18)(324.1124, 1951.5)(325.1164, 3086.14) 53.59 2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine Esi-16.886997 16.886997 FindByFormula 10 Esi- LMGP02060001 1066.6187 77699 (532.3038, 9043.36)(533.3045, 3602.78) 59.95 2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine Esi-16.884 16.884 FindByFormula 10 Esi- LMGP02060001 533.3095 77699 (532.3046, 8111.26)(533.3045, 3280.98)(534.3162, 1625.0) 65.71 2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine 14.581 FindByFormula 8 Esi- LMGP02060001 533.3137 77699 (532.3041, 236751.53)(533.3084, 49651.85)(534.3102, 9610.3) 89.2 2-(Acetamidomethylene)succinate 0.9039999 FindByFormula 7 Esi- C01215 374.1001 63871 (186.0418, 638244.4)(186.5324, 664.54) 56.74 2-(a-Hydroxyethyl)thiamine diphosphate 3.270333 FindByFormula 30 HMDB03904 Esi- C05125 470.0782 58183 (939.1545, 744.61)(941.1325, 668.11)(942.1078, 1245.1)(234.0294, 802.3)(469.0712, 13776.38)(470.0735, 2792.32)(471.0666, 5503.77)(472.0689, 942.33) 65.57 2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane 0.7087692 FindByFormula 26 Esi- C14714 317.9605 70283 (316.9488, 3029276.5)(317.9545, 131301.23)(318.9547, 49400.34) 50.54 2-(Methylthio)propane 3.781 FindByFormula 8 HMDB40576 Esi- 136.0551 95061 (135.0483, 8778.84)(136.0526, 808.37) 73.55 2,2'-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol 15.762447 FindByFormula 36 Esi- C11569 329.1135 69102 (328.1069, 8447.8)(329.1096, 2650.52)(330.114, 769.72) 72.14 2,2',5-Trichloro-4-hydroxybiphenyl 0.6948573 FindByFormula 21 Esi- C15212 317.9654 70699 (316.9564, 2998508.2)(317.9619, 130958.82)(318.963, 49253.43) 53.81 2,2',5-Trichloro-4-hydroxybiphenyl Esi-19.11475 19.11475 FindByFormula 16 Esi- C15212 317.9633 70699 (316.9565, 86674.95)(317.9597, 6215.09)(318.9594, 2908.69) 53.92 2,2',5-Trichloro-4-hydroxybiphenyl Esi-18.394 18.394 FindByFormula 10 Esi- C15212 317.9636 70699 (316.9563, 81278.65)(317.9592, 5871.27)(318.9592, 2762.9) 56.19 2,2',5-Trichloro-4-hydroxybiphenyl Esi-19.373375 19.373375 FindByFormula 16 Esi- C15212 317.9634 70699 (316.9563, 82651.52)(317.9592, 6018.88)(318.959, 2355.35) 57.2 2,2-Bis(4-hydroxyphenyl)hexafluoropropane Esi-0.66150004 0.66150004 FindByFormula 8 Esi- C14350 336.0613 69985 (335.049, 77223.91)(336.0511, 15745.07) 65.45 2,2-Bis(4-hydroxyphenyl)hexafluoropropane 0.664 FindByFormula 5 Esi- C14350 672.1134 69985 (335.0498, 69542.33)(336.0532, 13126.44) 79.24 2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate Esi-18.447002 18.447002 FindByFormula 10 Esi- C15027 430.179 70521 (429.1732, 71635.97)(430.1765, 24509.5) 64.26 2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate 18.802858 FindByFormula 28 Esi- C15027 430.1785 70521 (429.1713, 339648.06)(430.1767, 86890.7)(431.1784, 25306.45) 89.5 2,3,3-Triphenylacrylonitrile 14.902001 FindByFormula 9 Esi- C14599 327.124 70192 (326.1182, 4660.39)(327.1223, 1996.28) 61.58 2,3,4-Trioxycyclopentanone 13.788107 FindByFormula 29 Esi- C12261 346.1835 69403 (345.1763, 8747.63)(346.1761, 2822.97)(347.1728, 1335.97) 65.4 2,3,7,8-Tetrachlorodibenzofuran 0.714 FindByFormula 9 Esi- C18104 349.9091 72031 (348.901, 30711.62)(349.9154, 8045.9)(350.9005, 5722.11) 31.49 2,3-Dehydrosilychristin 3.2190003 FindByFormula 10 HMDB40514 Esi- 480.1096 95005 (479.1004, 17165.91)(480.0993, 3887.59)(481.0951, 2871.62) 60.91 2,3-dihydrothieno-Thiadiazole Carboxylate 6.8607993 FindByFormula 10 Esi- 245.9758 45410 (244.9702, 14316.34)(245.9626, 3492.3)(246.9623, 7465.94)(247.9686, 1049.12) 36.33 2,3-Dihydroxy-4-Methoxy-4'-Ethoxybenzophenone 6.3030005 FindByFormula 10 Esi- 288.1001 43714 (287.0928, 5810.96)(288.096, 1332.07) 79.17 2,3-dinor Fluprostenol 3.2572231 FindByFormula 36 Esi- 430.1614 45699 (429.1527, 28659.93)(430.1553, 8617.19)(431.1557, 2422.93) 86.46 2,4,5,6-Phenanthrenetetrol 3.9279997 FindByFormula 8 HMDB32866 Esi- 242.0564 88783 (241.0495, 10535.03)(242.0522, 1620.05) 80.02 2,4,5-Trichlorophenoxyacetic Acid, Isooctyl Ester 1.138 FindByFormula 5 Esi- 412.0603 44544 (411.0502, 13274.54)(412.0529, 4287.64)(413.0568, 1159.15) 39.51 2,4-dichloro-N-propylbenzamide 0.6580001 FindByFormula 20 Esi- 291.0499 96346 (290.0364, 71990.57)(291.0376, 6505.27) 54.05 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 0.7656876 FindByFormula 16 HMDB37549 Esi- 287.0684 92406 (286.0576, 28255.28)(287.0578, 6010.33)(288.0711, 8704.65) 39.61 2,4-Dimethyl-2-pentacosenoic acid Esi-20.993261 20.993261 FindByFormula 19 Esi- 454.4005 34673 (453.3928, 31784.88)(454.3962, 10556.94) 68.52 2,4-Dimethyl-2-pentacosenoic acid 21.004608 FindByFormula 28 Esi- 454.4013 34673 (453.3927, 33053.09)(454.3961, 11006.33)(455.3954, 2637.09) 81.72 2'',6''-Di-O-acetylononin 14.118501 FindByFormula 18 HMDB39925 Esi- 514.1481 94468 (513.14, 5560.47)(514.1491, 2184.35)(515.1442, 419.43) 75.23 2-[(Isopropylthio)methyl]furan 1.2792633 FindByFormula 19 HMDB36181 Esi- 202.062 91330 (201.0566, 40863.29)(202.0716, 18569.83)(203.0715, 2072.59) 38.63 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 11.456 FindByFormula 9 HMDB40352 Esi- 512.2721 94866 (255.1268, 18706.82)(256.1306, 3152.32) 58.41 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol 13.963501 FindByFormula 20 HMDB37802 Esi- 555.3098 92615 (554.301, 389143.4)(555.3072, 89676.45)(556.3027, 102208.59) 56.22 22:2(5Z,9Z)(13Me,17Me,21Me) 22.071 FindByFormula 9 Esi- LMPR0103010019 424.3505 102888 (423.3465, 3733.75)(424.3502, 1201.92)(425.3583, 271.93) 88.81 22:3-Glc-Stigmasterol 13.308005 FindByFormula 36 Esi- LMST01040236 890.7019 103457 (444.344, 7599.06)(444.8541, 1215.08)(445.3472, 2564.94)(445.8478, 2069.87)(889.7176, 2211.48) 50.05 22-Acetylpriverogenin B 8.744 FindByFormula 6 HMDB34645 Esi- 516.3783 90107 (257.1825, 19776.34)(257.6771, 196.96)(258.1857, 3590.22) 62.99 22-epi-Hippurin-1 13.986 FindByFormula 3 Esi- LMST01090004 566.3406 84247 (565.3378, 952910.44)(566.3449, 129688.42) 54.67 22-keto-26-Hexacosanolide 19.050749 FindByFormula 16 Esi- LMFA07040062 468.3801 97415 (467.3754, 23063.68)(468.3774, 7197.49)(469.3841, 3502.79) 78.36 22-Oxo-docosanoate Esi-19.509 19.509 FindByFormula 7 Esi- C19624 354.3122 73268 (353.3067, 5607.72)(354.3116, 1759.48)(355.3111, 1289.81) 68.1 22-Oxo-docosanoate Esi-20.011 20.011 FindByFormula 6 Esi- C19624 354.3102 73268 (353.3064, 4270.49)(354.308, 1288.46) 74.58 22-Oxo-docosanoate 20.406002 FindByFormula 10 Esi- C19624 354.3127 73268 (353.3057, 3739.71)(354.3077, 1261.07)(355.3056, 273.52) 75.61 23-trans-p-Coumaroyloxytormentic acid 15.3495 FindByFormula 20 HMDB40682 Esi- 696.3884 95157 (695.3821, 27281.54)(696.3824, 13486.21)(697.3794, 14451.92)(698.3798, 6792.83)(699.3806, 3857.63)(700.3813, 2169.94)(701.3732, 1475.46) 44.73 24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homocholecalciferol 19.384 FindByFormula 5 Esi- LMST03020316 466.3234 42251 (465.318, 53694.68)(466.3197, 21469.13)(467.3195, 9195.59) 67.8 24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?,25-dihydroxycholecalciferol 19.370386 FindByFormula 13 Esi- LMST03020145 452.3088 42084 (451.3033, 28704.95)(452.3041, 9562.47)(453.3008, 7375.14) 53.46 24,25-Diacetylvulgaroside 16.313 FindByFormula 3 HMDB41366 Esi- 1132.6213 95771 (565.3025, 58950.29)(565.8021, 320.11) 40.07 24:2(5Z,9Z)(11Me,15Me,19Me,23Me) 20.98 FindByFormula 4 Esi- LMPR0104010031 466.4028 102905 (465.391, 4544.18)(466.3949, 1636.89) 50.95 24-Acetyl- 25-cinnamoylvulgaroside Esi-16.903997 16.903997 FindByFormula 10 HMDB41368 Esi- 654.3459 95773 (653.3378, 69435.16)(654.34, 24414.23)(655.3422, 6489.43)(656.3481, 1878.76) 72.11 24-Acetyl- 25-cinnamoylvulgaroside 16.520998 FindByFormula 25 HMDB41368 Esi- 654.3454 95773 (653.3368, 81997.17)(654.339, 28560.17)(655.3423, 7648.69)(656.3476, 2251.65) 79.22 24-methylene-cholesterol sulfate 14.921998 FindByFormula 15 Esi- LMST05020012 538.3353 57968 (537.3298, 81528.38)(538.3324, 26023.69)(539.3346, 7645.68) 68.62 25-Hydroxycholecalciferol (25-hydroxyvitamin D3) 19.374 FindByFormula 5 Esi- C01561 400.3275 218 (399.3246, 3710.71)(400.3318, 918.35)(401.3423, 1513.35) 51.43 26,26,26,27,27,27-hexafluoro-1?,25-dihydroxyvitamin D3 / 26,26,26,27,27,27-hexafluoro-1?,25-dihydroxycholecalciferol 14.028 FindByFormula 6 Esi- LMST03020089 570.2812 42029 (569.2694, 86848.14)(570.2718, 21348.11) 72.91 26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-11.429 11.429 FindByFormula 7 Esi- LMST03020131 454.3045 42070 (453.2983, 9510.46)(454.3006, 3023.05)(455.2894, 499.23) 86.21 26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-10.2890005 10.2890005 FindByFormula 10 Esi- LMST03020131 454.3034 42070 (453.2967, 20457.63)(454.3, 6589.44)(455.3022, 1640.65) 88.55 26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-10.198999 10.198999 FindByFormula 10 Esi- LMST03020131 454.3033 42070 (453.2974, 105750.88)(454.3004, 32317.96)(455.3019, 6806.65) 94.08 26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol 10.196838 FindByFormula 36 Esi- LMST03020131 454.3038 42070 (453.2974, 90044.6)(454.3003, 28300.45)(455.3028, 6039.57)(456.3106, 1188.92) 94.44 26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-11.430093 11.430093 FindByFormula 22 Esi- LMST03020131 454.3042 42070 (226.1503, 10581.19)(453.2974, 139930.83)(454.3005, 43496.86)(455.3026, 8001.37) 95.26 26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.06 16.06 FindByFormula 3 HMDB40405 Esi- 638.3667 94914 (637.3605, 21562.62)(638.3714, 17333.18) 27.46 26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.547 16.547 FindByFormula 2 HMDB40405 Esi- 1274.7393 94914 (637.3618, 359265.25)(638.3654, 60102.88) 52.51 26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.567 16.567 FindByFormula 6 HMDB40405 Esi- 1276.6392 94914 (637.3609, 348466.25)(638.3648, 62521.38) 57.7 26-Hydroxybrassinolide 15.546999 FindByFormula 8 Esi- C19874 1084.7083 73406 (541.3426, 131141.02)(541.8372, 70.21) 22.64 26-O-beta-D-glucopyranosyl-22R-methoxyl-(25R)-furost-5-en-3beta,26-diol 3-O-alpha-L-rhamnopyranosyl-(1-2)-O-{[R-L-rhamnopyranosyl-(1-4)]-O-[alpha-L-rhamnopyranosyl-(1-4)]}-beta-D-glucopyranoside 14.209776 FindByFormula 36 Esi- LMST01070013 1224.6558 84164 (1223.6486, 74353.43)(1224.651, 51460.15)(1225.6511, 21885.47)(1226.6298, 9689.76) 75.19 28:7(n-6) Esi-22.012001 22.012001 FindByFormula 4 Esi- LMFA01030916 410.32 96770 (409.309, 40160.25)(410.3125, 13250.21)(411.3166, 2652.88) 88.19 28:7(n-6) 20.985645 FindByFormula 23 Esi- LMFA01030916 410.318 96770 (409.312, 107987.52)(410.3151, 36626.21)(411.3187, 6592.89)(412.3215, 827.58) 97.22 29:2(5Z,9Z)(6Br) 14.564612 FindByFormula 36 Esi- LMFA01030891 558.3245 74427 (1115.6417, 13467.96)(1116.644, 7067.51)(1117.6216, 8904.74)(1118.6241, 4864.91)(1119.6234, 22208.26)(557.3174, 1084278.8)(558.3215, 280362.2)(559.3262, 43598.04)(560.3293, 7601.51) 50.21 29:2(5Z,9Z)(6Br) Esi-14.901 14.901 FindByFormula 6 Esi- LMFA01030891 558.3248 74427 (557.3181, 1109147.8)(558.3229, 275523.6)(559.326, 51673.53)(560.3279, 8839.21) 55.61 29-demethylgeodisterol-O-sulfite 14.549234 FindByFormula 34 Esi- LMST01031091 538.2632 84041 (537.2528, 70590.22)(538.2576, 12376.21)(539.2554, 2542.16) 76.77 2-Acetolactic acid Esi-21.026 21.026 FindByFormula 3 Esi- C00900 132.0406 293 (131.0334, 8519.68)(132.0369, 356.77) 73.43 2-Acetolactic acid 1.6184999 FindByFormula 22 Esi- C00900 132.0414 293 (131.0348, 19325.91)(132.0374, 1388.7)(133.0374, 253.78) 97.69 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate Esi-14.866998 14.866998 FindByFormula 16 Esi- C15322 366.2386 70795 (365.2313, 41684.88)(366.2349, 9931.33) 78.24 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate 14.868926 FindByFormula 26 Esi- C15322 366.238 70795 (365.2313, 41684.88)(366.2349, 9931.33)(367.2379, 2184.07) 91.89 2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol 15.597998 FindByFormula 10 Esi- LMST01010312 618.3854 83913 (617.3736, 54198.24)(618.3726, 14227.66) 47.89 2-Amino-1,2-bis(p-chlorophenyl)ethanol 6.6530557 FindByFormula 35 Esi- C15427 341.0561 70896 (340.0503, 36390.19)(341.0523, 6125.44)(342.0392, 1106.75) 60.07 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-5.9999514 5.9999514 FindByFormula 21 Esi- C16038 270.1137 71126 (269.1067, 6979.4)(270.1067, 1163.0) 66.29 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-6.372 6.372 FindByFormula 1 Esi- C16038 284.1287 71126 (283.1222, 4593.23)(284.123, 775.38) 68.81 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine 5.46961 FindByFormula 36 Esi- C16038 284.1293 71126 (283.1211, 16441.74)(284.1215, 3944.06) 71.48 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-8.364308 8.364308 FindByFormula 26 Esi- C16038 224.1074 71126 (223.1003, 15183.74)(224.103, 1835.25) 76.66 2-Amino-3-oxobutanoate 0.85447353 FindByFormula 19 Esi- C03214 117.042 65931 (116.0353, 138226.66)(117.0372, 8437.71) 86.12 2-APB 7.24225 FindByFormula 12 Esi- 269.132 64853 (268.1245, 3943.16)(269.1294, 825.82) 48.53 2-Arachidonoyl Glycerol-d8 19.364286 FindByFormula 14 Esi- 446.3396 96565 (445.341, 16385.69)(446.342, 7169.84) 57.76 2-Butyl-1H-benzimidazole 0.72599995 FindByFormula 8 HMDB33755 Esi- 174.115 89514 (173.1078, 18454.31)(174.1098, 874.6) 69.35 2-Butylbenzothiazole 0.77199996 FindByFormula 10 HMDB40031 Esi- 502.1941 94572 (250.0919, 12136.65)(251.0923, 2408.17) 64.19 2-carbazol-9-ylbenzoic acid 2.4470003 FindByFormula 9 Esi- 287.0964 96374 (286.0896, 6156.85)(287.0886, 1854.91) 58.77 2-Chloro-1,1,1-trifluoroethane 0.86 FindByFormula 5 Esi- C19367 178.0039 73071 (355.091, 1658.16)(176.9924, 37269.75)(178.0015, 3533.51)(178.9898, 13263.01) 80.93 2-Chloro-1,1,1-trifluoroethane Esi-0.85225 0.85225 FindByFormula 16 Esi- C19367 177.9991 73071 (176.9935, 17358.76)(178.0036, 1554.18)(178.9911, 6897.68)(179.9902, 333.22) 82.11 2-Chloro-1,1,2-trifluoroethyl ethyl ether 1.504875 FindByFormula 16 Esi- C14700 162.001 70272 (160.9962, 880511.25)(162.0029, 23104.18)(162.9967, 128504.02)(163.9992, 8088.85) 49.25 2-Chloro-1,1,2-trifluoroethyl ethyl ether Esi-1.2605551 1.2605551 FindByFormula 36 Esi- C14700 162.0069 70272 (160.9965, 658114.3)(162.0034, 16160.57)(162.997, 104961.02)(163.9996, 5609.41) 55.32 2-Chloro-1,1,2-trifluoroethyl ethyl ether Esi-1.5084999 1.5084999 FindByFormula 20 Esi- C14700 162.0057 70272 (160.9963, 368769.47)(162.0023, 11661.55)(162.9964, 73754.35)(163.9985, 4107.99)(164.9884, 590.08) 59.97 2-C-Methyl-D-erythritol 4-phosphate 0.789 FindByFormula 7 Esi- C11434 276.0612 64013 (551.1301, 394.76)(552.1206, 376.89)(553.1375, 1154.1)(275.0528, 30265.44) 43.69 2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone 20.230877 FindByFormula 16 Esi- LMPR02010031 848.6676 53833 (423.3274, 18288.23)(423.8435, 598.31)(424.3294, 5933.01) 60.67 2-demethylmenaquinone-8 23.242002 FindByFormula 6 Esi- LMPR02030027 762.5626 53845 (761.5522, 26704.18)(762.5551, 12809.57)(763.5578, 3659.02) 94.25 2-deoxy-20-hydroxyecdysone 22-phosphate 10.196273 FindByFormula 22 Esi- LMST01010181 544.2762 57626 (543.2694, 32553.46)(544.2735, 8756.96)(545.2709, 2933.09) 71.92 2-deoxy-20-hydroxyecdysone 22-phosphate Esi-11.433553 11.433553 FindByFormula 20 Esi- LMST01010181 544.2757 57626 (271.1307, 380.23)(543.2688, 71034.84)(544.2723, 22816.95)(545.2719, 6229.71) 72.02 2-deoxy-20-hydroxyecdysone 22-phosphate Esi-10.612 10.612 FindByFormula 4 Esi- LMST01010181 544.2755 57626 (543.2687, 24646.32)(544.2725, 8030.47)(545.2716, 1810.79) 72.79 2-deoxy-20-hydroxyecdysone 22-phosphate Esi-11.438 11.438 FindByFormula 5 Esi- LMST01010181 544.2776 57626 (271.1308, 140.04)(543.2692, 60730.54)(544.2728, 20469.29)(545.2725, 5401.0) 74.62 2-deoxyecdysone 22-phosphate 11.707 FindByFormula 4 Esi- LMST01010183 528.2803 57628 (527.2742, 6147.08)(528.2774, 2060.19) 55.31 2-deoxyecdysone 22-phosphate Esi-13.526 13.526 FindByFormula 3 Esi- LMST01010183 528.2823 57628 (527.2758, 10823.47)(528.283, 3575.78) 67.56 2-Dodecylbenzenesulfonic acid 14.476 FindByFormula 9 HMDB31031 Esi- 386.2109 87362 (385.2059, 22440.09)(386.209, 5956.05)(387.2157, 2227.43) 83.08 2-Ethoxythiazole 0.949 FindByFormula 10 HMDB41282 Esi- 129.0323 95696 (257.0382, 198034.55)(258.0432, 17201.05)(259.036, 56891.26)(128.0353, 145155.62)(129.0288, 16414.09) 48.13 2-glyceryl-6-keto-PGF1? Esi-11.426 11.426 FindByFormula 5 Esi- LMFA03010188 444.2738 36235 (443.2681, 72012.89)(444.2715, 21478.86)(445.2665, 27378.63)(446.2686, 7503.82)(447.2688, 1514.84) 60.93 2-glyceryl-6-keto-PGF1? 10.199999 FindByFormula 13 Esi- LMFA03010188 444.2756 36235 (443.2679, 10627.98)(444.2711, 3730.56)(445.2651, 4577.17)(446.2662, 1634.99)(447.2699, 594.16) 62.15 2-Heptenedioic acid, 4-oxo- 1.515 FindByFormula 6 Esi- 172.0351 2194 (171.0276, 107925.8)(172.0305, 8229.45)(173.021, 847.21) 75.7 2-Hydroxy-22-methyltetracosanoic acid 20.559002 FindByFormula 10 HMDB40909 Esi- 796.7507 95360 (397.3657, 5798.48)(398.3698, 1809.08) 62 2-Hydroxy-22-methyltetracosanoic acid Esi-20.554382 20.554382 FindByFormula 26 HMDB40909 Esi- 398.3761 95360 (397.3674, 4410.86)(398.3714, 1417.82) 74.81 2-Hydroxy-24-keto-octacosanolide Esi-21.0155 21.0155 FindByFormula 4 Esi- LMFA07040063 452.3847 97416 (451.3779, 7601.22)(452.3806, 2943.04) 66.57 2-Hydroxy-24-keto-octacosanolide 20.364502 FindByFormula 16 Esi- LMFA07040063 452.3849 97416 (451.3779, 18108.79)(452.3806, 5786.87)(453.3869, 1269.26) 93.05 2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid 6.777285 FindByFormula 14 Esi- 240.0986 1255 (239.0948, 14428.44)(240.0964, 2545.6) 62.68 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate 0.9499999 FindByFormula 9 Esi- C06581 228.0621 66438 (113.0245, 18460.87)(113.5244, 115.56)(114.0258, 6128.26)(227.0633, 5242.18) 68.76 2-Hydroxyhexadecanoic acid 14.08083 FindByFormula 36 Esi- 272.2353 34495 (271.2281, 112713.12)(272.2308, 22919.84)(273.2335, 2935.98) 97.6 2-Hydroxymyristic Acid 15.574873 FindByFormula 16 HMDB02261 Esi- 244.207 6579 (488.397, 611.06)(489.3959, 191.56)(243.1952, 6459.68)(244.1989, 1147.79) 78.41 2-hydroxy-nonadecanoic acid 19.142242 FindByFormula 33 Esi- LMFA01050071 314.2812 74501 (313.2762, 9364.05)(314.2804, 2079.37)(315.2834, 173.2) 91.17 2-Hydroxytenoxicam 6.648 FindByFormula 10 Esi- 399.0151 2713 (398.0096, 11473.0)(399.0073, 3016.13)(400.0076, 4957.89)(401.0198, 1569.88) 46.33 2-hydroxy-tricosanoic acid Esi-21.992998 21.992998 FindByFormula 7 Esi- LMFA01050212 370.3434 74589 (369.3347, 2243.87)(370.3369, 715.47) 55.02 2-hydroxy-tricosanoic acid 19.476719 FindByFormula 36 Esi- LMFA01050212 370.3438 74589 (369.3392, 9002.95)(370.3435, 2525.42)(371.3486, 262.88) 86.45 2-Imino-4-methylpiperidine 0.9538 FindByFormula 10 Esi- 158.1031 64866 (157.0973, 10813.89)(158.096, 733.78) 69.45 2-Keto valeric acid 1.238 FindByFormula 3 Esi- C06255 LMFA01060004 116.045 3243 (115.0391, 22007.65)(116.0357, 1396.34) 66.95 2-Methyl-4-oxopentanedioic acid 1.2616005 FindByFormula 30 HMDB39447 Esi- 160.0367 94020 (159.0303, 103122.34)(160.0342, 8206.79) 85.42 2-Methyl-4-oxopentanedioic acid Esi-1.251 1.251 FindByFormula 9 HMDB39447 Esi- 320.0736 94020 (159.0303, 103122.34)(160.0342, 8206.79) 85.42 2-Naphthaleneacetic acid, 6-(sulfooxy)- Esi-1.52 1.52 FindByFormula 2 Esi- 564.0435 1381 (281.0106, 13824.95)(282.0099, 4300.29) 29.73 2-Naphthaleneacetic acid, 6-(sulfooxy)- 1.4589999 FindByFormula 9 Esi- 282.0205 1381 (281.0103, 12081.95)(282.0096, 2597.06)(283.0051, 1273.32)(284.0114, 2084.56) 33.87 2-O-(beta-D-galactopyranosyl-(1-6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic acid 19.134462 FindByFormula 13 Esi- LMFA13010048 554.2911 98333 (553.2864, 22202.28)(554.2919, 8516.3)(555.3092, 2405.85) 70.75 2-O-Caffeoylglucarate 1.5190003 FindByFormula 27 Esi- C03062 418.0755 65895 (836.1642, 303.41)(837.1247, 1640.68)(417.0647, 49890.09)(418.0733, 19443.13)(419.0679, 9174.85) 54.47 2-O-Galloylgalactaric acid 3.2903478 FindByFormula 23 HMDB36932 Esi- 408.0526 91921 (815.1238, 772.32)(407.0445, 24499.05)(408.0408, 4854.84)(409.0453, 3140.4) 42.55 2-O-p-Coumaroyltartronic acid 0.9510001 FindByFormula 9 HMDB32956 Esi- 266.0481 88855 (265.0378, 61228.59)(266.039, 8262.93) 65.68 2-Oxopropyl-CoM 3.2738574 FindByFormula 28 Esi- C11497 244.0078 69072 (243.0004, 18845.15)(244.0023, 2364.87)(245.0001, 6555.93)(246.0001, 825.92) 64.89 2-Phenylethyl octanoate 14.885223 FindByFormula 36 HMDB37719 Esi- 248.1774 92542 (123.0807, 279.94)(247.1702, 43111.84)(248.1728, 8751.03)(249.1741, 1630.96) 95.52 2-Phthalimidoglutaric acid 0.81900007 FindByFormula 6 Esi- 277.0622 2816 (553.0979, 723.19)(554.0978, 378.79)(276.0527, 25065.95) 41.31 2-Propylglutaric acid 21.028 FindByFormula 4 Esi- C16658 174.0887 2998 (173.0812, 7613.2)(174.0829, 405.88) 78.06 2-Stearyl citrate 16.602 FindByFormula 7 HMDB39225 Esi- 490.3157 93816 (489.3063, 22530.46)(490.3077, 5226.64)(491.3159, 2820.24) 77.86 2-trans,6-cis-farnesyl diphosphate 20.357 FindByFormula 8 Esi- LMPR0103010011 442.1566 53358 (441.1487, 5491.75)(442.1504, 2210.2)(443.1465, 2280.77) 52.84 3-(2,5-Dimethoxyphenyl)propanoic acid 7.339279 FindByFormula 36 Esi- 210.0896 24106 (209.0831, 18916.56)(210.0879, 2222.84)(211.0912, 609.1) 86.79 3-(2-Furanyl)-2-propenal 15.411 FindByFormula 10 HMDB32918 Esi- 122.0365 88823 (121.0293, 10423.16)(122.0314, 1050.14)(123.0347, 102.53) 93.84 3-(Isothiocyanatomethyl)-1-methoxy-1H-indole 0.9520001 FindByFormula 9 HMDB38463 Esi- 241.0517 93151 (481.1029, 23808.9)(482.1003, 8863.97)(240.0407, 8629.03) 52.31 3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile 4.6223006 FindByFormula 10 Esi- C15039 250.1097 70533 (249.1045, 15873.08)(250.1072, 1982.82)(251.1055, 618.66) 83.99 3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile Esi-4.29 4.29 FindByFormula 10 Esi- C15039 250.1101 70533 (249.1036, 9064.71)(250.1064, 1212.45)(251.1091, 243.54) 93.32 3,3'-Bisanigorufone 18.228125 FindByFormula 16 HMDB39472 Esi- 588.1605 94044 (587.1537, 10139.84)(588.1555, 3345.46)(589.1482, 4846.92)(590.1491, 1818.82)(591.1636, 4631.67) 60.23 3,3'-Dichloro-4,4'-diaminodiphenyl ether 14.896 FindByFormula 3 Esi- C19226 314.0257 72949 (313.0163, 10175.01)(314.01, 683.77) 49.11 3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol 17.791 FindByFormula 9 Esi- C15140 326.2419 70630 (325.2347, 10722.96)(326.238, 2313.41) 85.99 3,3'-Dimethoxybenzidine 10.375169 FindByFormula 36 Esi- C19231 304.1417 72954 (303.1352, 37605.61)(304.1383, 6604.89)(305.1362, 3261.49) 83.32 3',4'-Anhydrovinblastine 15.326384 FindByFormula 29 Esi- C11641 792.4124 64331 (395.2044, 2050.45)(791.4013, 13594.36)(792.4067, 8449.92)(793.4029, 3261.03) 81.75 3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylate 6.473 FindByFormula 6 Esi- C19698 513.0504 73303 (512.0462, 5410.12)(513.0421, 1449.51)(514.0264, 699.56) 50.08 3,4-Methylenedioxybenzoic acid 21.03 FindByFormula 3 HMDB32613 Esi- 166.0269 88565 (165.0197, 8315.2)(166.0203, 1308.81) 67.68 3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide 5.6490006 FindByFormula 10 HMDB38264 Esi- 536.119 92989 (267.052, 14416.59)(267.5679, 87.27)(268.0408, 511.08) 59.87 3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid 0.694 FindByFormula 6 HMDB33822 Esi- 249.9775 89553 (248.9702, 3109651.0)(249.9759, 102819.72)(250.9765, 45230.96) 51.92 3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid 5.4747834 FindByFormula 23 Esi- LMFA01170130 286.1456 96875 (285.1361, 47778.51)(286.139, 7218.82)(287.117, 2992.35) 74.8 3?,6?,7?,12?-Tetrahydroxy-5?-cholest-24-en-26-oic acid 16.358858 FindByFormula 28 Esi- 464.3109 43130 (463.3046, 51544.55)(464.3072, 14108.82)(465.3123, 16639.21) 63.73 3?,6?,7?,12?-Tetrahydroxy-5?-cholest-24-en-26-oic acid Esi-16.144 16.144 FindByFormula 6 Esi- 464.314 43130 (463.3036, 32222.75)(464.307, 9025.4) 64.93 3?-Hydroxy-5?,6?-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al 14.613393 FindByFormula 36 Esi- LMST01010120 430.3098 41683 (429.3017, 27516.86)(430.3047, 8704.5)(431.3079, 2202.57) 96.85 3-?-Hydroxydeoxygedinin 18.431 FindByFormula 5 Esi- 468.258 43685 (467.2476, 29614.87)(468.2511, 9894.62) 55.17 3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol 1.1099999 FindByFormula 10 HMDB37295 Esi- 254.0993 92244 (253.0926, 15413.39)(254.0815, 68.57)(255.0861, 1099.91) 62.47 32,35-anhydrobacteriohopaneterol 23.689276 FindByFormula 36 Esi- LMPR04000022 528.4547 53882 (1055.8688, 950.02)(527.4475, 17244.68)(528.4504, 7127.14)(529.4532, 1701.88)(530.4479, 261.07) 98.32 32:5(14Z,17Z,20Z,23Z,26Z) Esi-22.019249 22.019249 FindByFormula 4 Esi- LMFA01030848 530.4343 74384 (529.4223, 6380.87)(530.4252, 2784.59) 45.21 32:5(14Z,17Z,20Z,23Z,26Z) Esi-21.008463 21.008463 FindByFormula 26 Esi- LMFA01030848 530.4341 74384 (529.4249, 38516.68)(530.4284, 15141.42)(531.4344, 5203.2) 88.89 32:5(14Z,17Z,20Z,23Z,26Z) 21.006153 FindByFormula 26 Esi- LMFA01030848 530.4356 74384 (529.4248, 82032.2)(530.4277, 33364.75)(531.4294, 8001.28)(532.4335, 1587.59) 91.25 34:6(16Z,19Z,22Z,25Z,28Z,31Z) Esi-22.015 22.015 FindByFormula 4 Esi- LMFA01030842 556.452 74378 (555.4387, 12910.66)(556.4418, 5019.08) 56.94 34:6(16Z,19Z,22Z,25Z,28Z,31Z) 20.996998 FindByFormula 10 Esi- LMFA01030842 556.4514 74378 (555.4408, 30566.78)(556.4435, 13288.91)(557.4441, 3211.3) 89.81 34:6(16Z,19Z,22Z,25Z,28Z,31Z) Esi-21.001324 21.001324 FindByFormula 30 Esi- LMFA01030842 556.4503 74378 (555.4414, 23724.13)(556.4439, 9492.07)(557.4464, 2639.97) 95.42 35-aminobacteriohopane-31,32,33,34-tetrol 22.019 FindByFormula 3 Esi- LMPR04000007 561.4839 53867 (560.473, 15356.4)(561.4754, 3786.26)(562.4819, 837.44) 55.36 36:6(5Z,9Z,12Z,15Z,18Z,21Z)(34Me[S]) 23.786617 FindByFormula 26 Esi- LMFA01020341 584.4774 73753 (1167.9352, 868.86)(583.4696, 34500.88)(584.4741, 14883.51)(585.4757, 4128.3) 80.49 3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid 14.288999 FindByFormula 3 Esi- LMST04080001 568.3518 84919 (567.3536, 53741.32)(568.3688, 19756.18)(569.3696, 5355.11) 61.14 3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide 10.195371 FindByFormula 19 Esi- LMST05010001 466.258 84920 (465.2509, 19650.74)(466.2537, 5907.77)(467.2472, 7506.45)(468.2533, 2618.33) 59.14 3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide Esi-11.4330015 11.4330015 FindByFormula 17 Esi- LMST05010001 466.2569 84920 (465.2511, 36865.24)(466.2542, 10140.13)(467.2487, 14156.16)(468.2545, 3554.98)(469.2648, 1742.9) 62.04 3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide Esi-11.433 11.433 FindByFormula 4 Esi- LMST05010001 466.2564 84920 (465.251, 40923.34)(466.254, 12720.18) 72.76 3alpha-Hydroxy-5beta-chol-14-en-24-oic Acid 17.0215 FindByFormula 36 Esi- LMST04010211 374.2809 84525 (373.2742, 9219.49)(374.277, 2925.82)(375.2732, 410.55) 88.09 3-Amino-4,7-dihydroxycoumarin 0.8119999 FindByFormula 10 Esi- C12468 193.0386 64591 (385.0725, 14479.18)(386.0706, 1920.01)(387.0715, 7605.35)(387.9351, 926.05)(192.0292, 15051.96) 42.57 3b,15b,17a-Trihydroxy-pregnenone 0.721 FindByFormula 6 HMDB00353 Esi- 348.23 5342 (173.1078, 30547.09)(173.612, 145.88) 59.54 3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide 17.99789 FindByFormula 36 HMDB36524 Esi- 476.1782 91619 (951.3479, 1659.21)(952.3651, 793.19)(953.3527, 1804.74)(954.3578, 1091.63)(955.3626, 2032.81)(956.3799, 1328.32)(957.3697, 1684.7)(475.1724, 41042.73)(476.1754, 11810.91)(477.1694, 18140.65)(478.1712, 5780.89)(479.1783, 4549.77)(480.1992, 3482.96) 81.78 3-Benzoyloxy-11-oxo-12-ursen-28-oic acid 15.38789 FindByFormula 36 HMDB32894 Esi- 620.3653 88806 (619.3602, 64365.61)(620.3636, 25601.34)(621.3661, 6725.95) 78.75 3beta-Acetoxy-19alpha-hydroxy-12-ursene 12.407702 FindByFormula 20 HMDB36404 Esi- 484.3845 91546 (241.1864, 17395.18)(241.6926, 49.01)(242.1897, 3326.05) 44.75 3beta-Cycloartane-3,29-diol 21.20306 FindByFormula 36 HMDB40753 Esi- 504.418 95218 (503.4099, 58243.71)(504.413, 22172.99)(505.422, 15352.8)(506.4261, 4665.51)(507.4258, 1307.73) 66.97 3beta-Cycloartane-3,29-diol Esi-21.035477 21.035477 FindByFormula 19 HMDB40753 Esi- 504.4185 95218 (503.409, 66101.12)(504.412, 24918.2)(505.42, 12371.07) 74.44 3beta-Fluoro-5alpha-androstan-17beta-ol 18.78853 FindByFormula 17 Esi- C15330 354.2568 70803 (353.251, 7309.4)(354.2542, 2565.16)(355.2633, 1006.28) 61.02 3b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide 17.942 FindByFormula 5 HMDB41278 Esi- 400.1628 95692 (399.1556, 2088.67)(400.1571, 1062.57)(401.1555, 14881.87) 64.49 3-Bromo-tyrosine 4.755086 FindByFormula 23 Esi- C17079 258.982 71544 (128.4805, 564.13)(257.9767, 84517.84)(258.978, 8772.01)(259.9701, 3612.56) 62.33 3-Chloro-2-hydroxymuconic semialdehyde 1.012 FindByFormula 16 Esi- C16266 175.9853 71166 (350.9606, 2048.36)(174.9776, 51786.18)(175.9815, 2548.85)(176.9748, 23335.25)(177.9749, 1393.9) 56.61 3-Demethylsimmondsin 2'-(Z)-ferulate 20.792 FindByFormula 2 HMDB34774 Esi- 583.192 90198 (582.1826, 8825.67)(583.1852, 4371.7)(584.1849, 1903.45) 70.38 3'-Demethylstaurosporine Esi-18.837 18.837 FindByFormula 9 Esi- C07349 452.1854 66631 (451.1762, 1672.99)(452.1774, 1014.04)(453.1837, 18144.3) 67.59 3'-Demethylstaurosporine 20.358248 FindByFormula 16 Esi- C07349 452.1852 66631 (451.177, 29406.69)(452.1797, 10427.21)(453.1826, 3431.05) 90.56 3-Deoxy-D-manno-octulosonate Esi-1.309 1.309 FindByFormula 3 Esi- C01187 284.0676 63650 (283.0639, 10116.12)(284.1009, 427.75)(285.1086, 714.58) 48.15 3-Deoxy-D-manno-octulosonate 0.9739999 FindByFormula 25 Esi- C01187 284.0743 63650 (283.0673, 27884.24)(284.0671, 6152.74)(285.0681, 2736.8) 61.23 3-Deoxy-D-manno-octulosonate 8-phosphate 0.922 FindByFormula 6 Esi- C04478 438.0719 63652 (218.03, 557940.25)(218.5257, 824.91) 40.31 3'-Deoxydryopteric acid Esi-0.7716665 0.7716665 FindByFormula 18 Esi- LMPK12020034 378.0931 47250 (377.086, 60622.71)(378.0918, 10466.64) 71.91 3'-Deoxydryopteric acid 23.731848 FindByFormula 19 Esi- LMPK12020034 378.0942 47250 (377.088, 34322.85)(378.0934, 11648.65)(379.0882, 1800.69) 72.09 3'-Deoxystreptomycin 3''-phosphate 14.349331 FindByFormula 36 Esi- C04526 705.259 2512 (704.2532, 35470.82)(705.2582, 28970.78)(706.2584, 21254.64) 57.19 3'-Deoxystreptomycin 3''-phosphate Esi-13.791 13.791 FindByFormula 6 Esi- C04526 645.2278 2512 (644.2328, 11292.06)(645.2313, 8538.86)(646.2336, 5178.57)(647.2424, 5141.14) 58.02 3'-Deoxystreptomycin 3''-phosphate Esi-13.794664 13.794664 FindByFormula 30 Esi- C04526 705.2821 2512 (704.2502, 37028.29)(705.2559, 16913.37)(706.2515, 9019.71) 68 3-Formylrifampin Esi-14.060999 14.060999 FindByFormula 9 Esi- 725.3142 2317 (724.3026, 65468.26)(725.3047, 25299.96)(726.2987, 8326.27) 70.99 3-Formylrifampin 23.636997 FindByFormula 10 Esi- 785.3282 2317 (784.3187, 16333.69)(785.3208, 7439.27)(786.3273, 2586.16) 94.93 3-Hydroxy-3-methyl-glutaric acid 1.2364138 FindByFormula 29 Esi- C03761 162.0503 3793 (161.0449, 215156.25)(162.0488, 13127.55)(163.0508, 262.04) 97.06 3-Hydroxy-7-acetamidoclonazepam 6.464945 FindByFormula 36 Esi- 343.0699 1888 (342.0642, 8817.07)(343.0716, 1817.08)(344.0583, 996.12) 57.77 3-Hydroxy-7-acetylaminonitrazepam 5.0374165 FindByFormula 24 Esi- 309.111 1564 (308.1067, 21850.29)(309.1102, 3791.55)(310.1116, 809.71) 78.32 3-Hydroxy-beta-ionol 3-[glucosyl-(1-6)-glucoside] 13.779001 FindByFormula 10 HMDB37527 Esi- 594.2936 92393 (593.2814, 86690.96)(594.2945, 25738.44) 58.9 3'-HydroxyIndinavir Esi-15.330999 15.330999 FindByFormula 10 Esi- 689.3898 821 (688.3718, 4765.38)(689.3665, 3605.01)(690.38, 11530.61)(691.3834, 5934.31) 60.15 3'-HydroxyIndinavir 15.339 FindByFormula 9 Esi- 689.3747 821 (688.3731, 2140.09)(689.3791, 1455.04)(690.3791, 8095.85)(691.3814, 4092.56) 63.53 3-Hydroxy-L-proline Esi-1.23 1.23 FindByFormula 4 HMDB02113 Esi- C04397 262.117 22 (130.0517, 17231.21)(130.5562, 45.39) 61.74 3-Hydroxy-L-proline Esi-0.955 0.955 FindByFormula 4 HMDB02113 Esi- C04397 131.0592 22 (130.0514, 14452.25)(131.0481, 2170.71)(132.057, 283.99) 72.1 3-Hydroxy-L-proline 1.2299998 FindByFormula 36 HMDB02113 Esi- C04397 131.0588 22 (130.0513, 22977.95)(131.0475, 1926.13)(132.0556, 1021.17) 84.05 3-Hydroxyneogrifolin 14.540797 FindByFormula 25 HMDB39885 Esi- 344.2364 94429 (171.1177, 151.63)(343.2281, 10290.79)(344.2307, 2562.0)(345.24, 1057.72) 80.34 3-Mercaptohexyl butyrate 9.413399 FindByFormula 20 HMDB38948 Esi- 250.123 93559 (249.1167, 17619.71)(250.1202, 2891.08)(251.126, 741.7) 86.06 3-Mercaptohexyl hexanoate 14.1837225 FindByFormula 36 HMDB37766 Esi- 278.1522 92584 (277.1504, 40894.72)(278.1536, 7971.92)(279.1552, 2061.71) 66.11 3-Mercaptohexyl hexanoate Esi-10.98 10.98 FindByFormula 2 HMDB37766 Esi- 278.1538 92584 (277.1482, 8986.77)(278.1493, 1483.14)(279.1474, 472.99) 93.85 3-Methoxy-4-hydroxyphenylethylene glycol 21.022 FindByFormula 1 HMDB01490 Esi- C05594 184.0714 698 (183.0641, 7361.0)(184.0623, 375.03) 49.92 3-Methyl-2-thiohydantoin Esi-0.82217646 0.82217646 FindByFormula 17 Esi- 176.0333 1188 (351.0532, 22975.11)(175.0189, 691729.25)(176.0255, 29417.5) 68.23 3-Methyl-2-thiohydantoin 0.8220001 FindByFormula 13 Esi- 176.0269 1188 (351.0535, 24111.25)(175.0191, 918816.3)(176.0258, 37666.87)(176.9915, 22820.21)(178.001, 1405.19)(178.9877, 7475.62) 69.9 3-Methylsuberic acid 21.03075 FindByFormula 4 Esi- 188.1037 3800 (187.0959, 9800.93)(188.0965, 1586.5)(189.1006, 415.32) 64.15 3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone 17.167 FindByFormula 5 HMDB38564 Esi- 572.3807 93235 (571.372, 95853.18)(572.3732, 14528.86) 40.44 3'-N-Debenzoyltaxol 13.970547 FindByFormula 33 Esi- C16524 749.3097 64037 (748.3022, 21369.85)(749.3036, 8584.99)(750.3086, 2295.93)(751.3243, 548.85) 77.22 3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol Esi-14.215151 14.215151 FindByFormula 26 Esi- LMST01080074 1258.6177 84225 (1257.6133, 11430.06)(1258.6143, 8163.89)(1259.6113, 10520.28)(1260.6243, 12737.65)(1261.6226, 14803.4)(1262.6235, 8963.86)(1263.6205, 7955.39) 62.88 3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol 14.324999 FindByFormula 9 Esi- LMST01080074 1258.6091 84225 (1257.6084, 7161.55)(1258.6097, 4607.11)(1259.6105, 8626.08)(1260.6228, 14397.06)(1261.6239, 12119.51)(1262.6251, 6273.5)(1263.6198, 4259.42) 65.04 3-O-(Rhaa1-3Glcb1-2Glcb1-4Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol 5.5394006 FindByFormula 25 Esi- LMST01080082 1078.5594 84233 (538.2784, 1376.12)(1077.5543, 7957.27)(1078.5573, 4726.7)(1079.5677, 2177.89) 63.19 3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diol 13.381895 FindByFormula 19 Esi- LMST01070009 1046.5681 84160 (522.2755, 43936.73)(522.7922, 703.19)(523.2783, 14667.33) 67.59 3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diol Esi-13.189001 13.189001 FindByFormula 10 Esi- LMST01070009 1046.5688 84160 (522.2757, 14905.24)(522.7827, 555.79)(523.2784, 5272.96) 68.68 3-O-alpha-L-Arabinopyranosyl-L-arabinose 7.906 FindByFormula 2 HMDB38855 Esi- 328.1005 93484 (327.0924, 7670.61)(328.0961, 2141.88) 59.9 3'-O-Methyl-(-)-epicatechin-7-O-sulphate 1.5114002 FindByFormula 15 HMDB29177 Esi- 414.0651 86065 (827.1186, 599.5)(828.1323, 633.86)(413.0567, 59256.17)(414.0579, 10277.08)(415.0487, 26500.22) 57.81 3-O-Methylniveusin A 3.3004997 FindByFormula 20 HMDB39084 Esi- 408.1775 93690 (203.0804, 346068.2)(203.5817, 287.01)(204.085, 31006.76)(407.1716, 6410.76)(408.1759, 1942.68) 53.24 3-oxoglutaric acid Esi-1.0950001 1.0950001 FindByFormula 10 HMDB13701 Esi- 146.021 85255 (291.0429, 18309.93)(145.0135, 41240.03)(146.0271, 69.26) 73.91 3-oxoglutaric acid 1.46 FindByFormula 10 HMDB13701 Esi- 146.0227 85255 (291.042, 33502.12)(145.0136, 34310.69)(146.0186, 1835.16) 83.98 3-oxohexacosanoic acid 20.379534 FindByFormula 26 Esi- LMFA01060181 410.374 45864 (409.3679, 7214.36)(410.3721, 2357.86)(411.3732, 702.95) 91.22 3-oxo-tetracosanoic acid 21.42063 FindByFormula 16 Esi- LMFA01060147 382.3446 74785 (381.3374, 3577.77)(382.3399, 1042.37) 80.49 3R-hydroxy-eicosanoic acid 20.341997 FindByFormula 10 Esi- 328.2957 35610 (327.2897, 5234.47)(328.2917, 1355.22) 76.02 3-tert-Butyl-5-methylcatechol 15.327162 FindByFormula 36 Esi- C03929 180.1146 66083 (179.1077, 24385.65)(180.1114, 3606.4)(181.1161, 544.38) 97.26 3-Vinylbacteriochlorophyllide d Esi-10.615 10.615 FindByFormula 4 Esi- C18157 602.235 63979 (601.2269, 5902.45)(602.2278, 2352.35)(603.224, 3052.84)(604.2263, 1263.78)(605.24, 4274.31)(606.246, 2331.71)(607.2443, 1036.58) 62.1 3-Vinylbacteriochlorophyllide d 11.430778 FindByFormula 9 Esi- C18157 602.2361 63979 (601.2286, 11227.07)(602.229, 4461.32)(603.2278, 4800.85)(604.2313, 2018.06)(605.2404, 7758.42)(606.2433, 4126.57) 67.32 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside] 13.8 FindByFormula 4 HMDB39313 Esi- 668.2217 93897 (667.2078, 14300.87)(668.2062, 8541.82)(669.2152, 10079.45) 45.74 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol 14.261001 FindByFormula 7 Esi- C19574 209.1143 73239 (103.5501, 9236.65)(104.0449, 199.37)(104.5547, 655.7) 57.35 4-(Methylthio)-1-butanol 6.2830005 FindByFormula 10 HMDB41562 Esi- 332.132 95943 (165.0589, 19385.72)(166.062, 2124.77) 75.28 4-(Methylthio)-1-butanol Esi-6.2737703 6.2737703 FindByFormula 26 HMDB41562 Esi- 166.0657 95943 (165.0592, 39656.85)(166.0625, 4662.47)(167.0691, 537.44) 85.99 4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine] 19.379 FindByFormula 6 Esi- C15021 418.2374 70516 (417.2343, 8414.06)(418.238, 2957.02) 78.01 4,4''-bis(N-feruloyl)serotonin Esi-14.83 14.83 FindByFormula 10 HMDB41433 Esi- 762.2935 95829 (761.2797, 32500.18)(762.2823, 12860.22)(763.2776, 3943.78) 70.08 4,4''-bis(N-feruloyl)serotonin 15.148 FindByFormula 9 HMDB41433 Esi- 762.2951 95829 (761.2856, 31245.43)(762.2849, 15202.3)(763.2831, 4809.32) 83.76 4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate 16.907 FindByFormula 14 Esi- C15112 380.2173 70604 (379.2094, 12463.42)(380.2108, 4120.29)(381.2141, 983.82) 83.92 4,4'-Thiobis-2-butanone 6.8808823 FindByFormula 34 HMDB37155 Esi- 220.0768 92123 (219.069, 10153.44)(220.0702, 1317.33)(221.0746, 444.2) 84.92 4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin 6.1129274 FindByFormula 28 HMDB38182 Esi- 278.0468 92918 (277.0399, 10964.45)(278.043, 1766.79)(279.0398, 1173.86) 87.3 4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]-Benzamide 15.282334 FindByFormula 24 Esi- 463.1544 3057 (925.2958, 844.53)(926.2897, 689.72)(462.1455, 18069.01)(463.1478, 7820.43)(464.152, 22180.94)(465.1529, 7068.36) 61.74 4-Acetyl-2(3H)-benzoxazolone 2.3950002 FindByFormula 8 HMDB40612 Esi- 177.0416 95092 (176.0372, 12042.11)(177.0373, 2138.45) 56.76 4-Amino-2-nitrophenol 0.79199994 FindByFormula 10 Esi- C19323 200.0437 73033 (199.0347, 1294507.8)(200.0404, 47440.16)(201.0361, 174040.44)(202.037, 18262.77) 52.9 4-Amino-2-nitrophenol Esi-0.7922775 0.7922775 FindByFormula 36 Esi- C19323 200.0397 73033 (399.0752, 2551.62)(199.0347, 1294507.8)(200.0404, 47440.16)(201.0361, 174040.44)(202.037, 18262.77) 52.9 4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid 3.27575 FindByFormula 16 Esi- 219.0139 44216 (218.0065, 10900.89)(219.0102, 1052.7)(220.0046, 1368.57) 56.51 4-amino-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate 23.761 FindByFormula 9 Esi- C16157 LMPR03020005 977.7266 53849 (976.7206, 6859.29)(977.7214, 4269.96)(978.7198, 1749.77) 82.58 4-Aminoethylbenzenesulfonyl Fluoride 2.6970003 FindByFormula 6 Esi- 203.0394 43987 (202.0327, 28823.67)(203.0304, 2922.52) 51.94 4-Bromophenylacetate 0.84300005 FindByFormula 10 Esi- C03076 213.9591 65902 (212.9532, 22809.56)(213.9565, 2942.88)(214.9506, 5153.05) 48.38 4-Carboxy-4'-sulfoazobenzene 1.5186548 FindByFormula 29 Esi- C06673 366.0519 66485 (731.0909, 5381.55)(732.0792, 1554.64)(365.0476, 27082.8)(366.0509, 5470.74)(367.0319, 2724.76) 79.73 4-Carboxy-4'-sulfoazobenzene Esi-1.5220001 1.5220001 FindByFormula 9 Esi- C06673 366.0479 66485 (731.0959, 3844.59)(365.046, 44380.07)(366.0507, 7857.23)(367.0475, 2144.65) 87.72 4-Chloro-6,7-dimethoxy-2-benzoxazolinone 5.4759994 FindByFormula 10 HMDB34577 Esi- 275.0158 90041 (274.0106, 7128.39)(275.0064, 646.83)(276.0128, 5142.07) 54.05 4'-Cinnamoylmussatioside 14.360162 FindByFormula 36 Esi- C10439 708.2604 68326 (1415.5411, 1652.37)(1418.5345, 1554.3)(1419.5132, 808.21)(707.2528, 21719.54)(708.2544, 11348.75)(709.2604, 10423.41)(710.261, 5396.35)(711.2766, 7379.85) 66.94 4-Feruloyl-1,5-quinolactone 16.566381 FindByFormula 21 HMDB29290 Esi- 396.1065 86161 (395.099, 6997.86)(396.1002, 2619.44)(397.1009, 1003.07) 66.43 4-Fluoro-L-threonine 0.7649999 FindByFormula 10 Esi- C15533 197.074 70956 (196.0642, 52082.18)(197.0592, 12322.63) 51.71 4-Glucogallic acid Esi-15.439053 15.439053 FindByFormula 36 HMDB41593 Esi- 378.0784 95971 (377.0701, 14131.45)(378.0801, 5542.68)(379.0804, 1806.82) 55.32 4-Glucogallic acid 23.674004 FindByFormula 15 HMDB41593 Esi- 378.083 95971 (377.0728, 63463.15)(378.0737, 17929.92)(379.0725, 4471.41) 69.35 4'-Hydroxyfenoprofen 5.7309995 FindByFormula 9 Esi- 516.1776 2690 (257.0817, 9790.26)(258.082, 1637.5) 76.97 4'-Hydroxyfenoprofen Esi-6.271 6.271 FindByFormula 8 Esi- 258.089 2690 (257.0818, 47727.18)(258.0834, 6017.92) 78.75 4-Hydroxyfurano[2'',3'':6,7]aurone 5.618119 FindByFormula 25 Esi- LMPK12130024 278.0575 52439 (277.0514, 31643.37)(278.053, 4495.31)(279.0529, 1497.04) 86.19 4-Hydroxypenbutolol glucuronide 13.3021145 FindByFormula 34 Esi- 543.2719 1723 (542.2646, 17136.57)(543.2633, 6866.57)(544.2708, 6330.56)(545.269, 2230.99) 50.21 4-Hydroxypenbutolol glucuronide Esi-13.303999 13.303999 FindByFormula 5 Esi- 1086.5413 1723 (542.2644, 7970.66)(543.2666, 2851.44) 51.55 4-Hydroxyrottlerin 3.2830005 FindByFormula 7 Esi- LMPK12120262 532.1784 52066 (531.1689, 13470.63)(532.171, 3454.37) 62.42 4-Methylburimamide Esi-13.114 13.114 FindByFormula 5 Esi- C11801 226.1243 69230 (225.118, 5517.22)(226.1163, 470.48) 67.1 4-Methylburimamide 9.023999 FindByFormula 30 Esi- C11801 226.125 69230 (225.1184, 40074.62)(226.1222, 6011.08)(227.1258, 963.08) 86.29 4-Methyldibenzothiophene 1.5265714 FindByFormula 7 HMDB40164 Esi- 258.0745 94701 (257.0635, 14883.01)(258.0635, 2226.13)(259.0625, 411.42) 82.48 4'-O-Methyl-(-)-epicatechin-7-O-sulphate 0.82825005 FindByFormula 16 HMDB29184 Esi- 352.0638 86072 (703.1294, 973.36)(175.0233, 31603.52)(175.5267, 405.04)(351.0598, 17252.55)(352.0757, 1208.97)(353.0593, 2608.79) 59.39 4'-O-Methylglucoliquiritigenin 1.5039998 FindByFormula 6 HMDB39927 Esi- 432.1428 94470 (215.0649, 105162.64)(215.5685, 210.09)(216.068, 10901.92)(431.1366, 1367.02) 59.56 4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylglucoside) 14.083 FindByFormula 6 Esi- LMPK12050012 644.2261 47535 (643.2181, 10913.66)(644.2207, 7196.6)(645.2227, 6938.94) 68.7 4-oxo 2-Nonenal-d3 5.125237 FindByFormula 34 Esi- 217.1362 96377 (216.1294, 9816.63)(217.1339, 1663.74) 53.77 4-oxo 2-Nonenal-d3 Esi-5.091 5.091 FindByFormula 10 Esi- 217.1374 96377 (216.1293, 8460.71)(217.1344, 1063.43) 56.79 4-Phenylbutyl glucosinolate 3.2789404 FindByFormula 17 HMDB38415 Esi- 497.1003 93113 (496.0919, 12874.91)(497.0873, 1709.17)(498.0904, 2133.86) 47.05 4-Phenylpyridine 0.75800014 FindByFormula 19 HMDB33123 Esi- 155.071 89012 (154.0651, 68963.3)(155.0665, 6051.27) 71.25 4-Quinolinemethanol, 2,8-bis(trifluoromethyl)- 1.806 FindByFormula 10 Esi- 295.0341 1105 (589.0738, 2427.56)(591.085, 680.68)(294.0333, 11212.87)(295.0388, 10656.62)(296.0372, 1855.14) 54.12 4-Quinolone-3-Carboxamide Furan CB2 Agonist 15.516 FindByFormula 9 Esi- 548.2882 96482 (547.2814, 7701.39)(548.285, 2745.28)(549.2811, 804.67) 90.04 5-((2-hydroxy-2-methylpropoxy)carbonyl)-2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 6.0824986 FindByFormula 16 Esi- 466.1586 1557 (465.1515, 23589.75)(466.1552, 6657.87)(467.1564, 1892.12) 95.23 5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one 17.989 FindByFormula 6 HMDB30082 Esi- 412.2121 86714 (823.3993, 2557.4)(824.4089, 1923.04)(825.4065, 6678.61)(826.4097, 3596.05)(827.4045, 4358.27)(828.4023, 2385.94)(829.4184, 3732.42)(831.4262, 2944.7)(411.2049, 17997.3) 34.39 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene 5.4659996 FindByFormula 25 Esi- C04485 336.0485 66192 (335.0416, 12607.23)(336.0402, 1797.26)(337.0289, 309.37) 68.16 5''-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1-3)-beta-D-xylopyranosyl-(1-4)-D-xylopyranoside 18.395002 FindByFormula 10 HMDB41489 Esi- 620.1937 95875 (619.1858, 7944.52)(620.1861, 2560.4)(621.193, 1957.53) 59.97 5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1H-benzimidazole 5.4669995 FindByFormula 10 Esi- 367.0802 1701 (366.0732, 9641.12)(367.0749, 1998.31)(368.0619, 703.36) 87.76 5(S),6(R)-DiHETE 14.059999 FindByFormula 10 Esi- LMFA03060017 336.2297 3847 (335.2228, 88636.51)(336.2259, 20671.9)(337.2278, 3816.9) 99.09 5,6-Dichloro-1,3-cyclohexadiene 0.92262495 FindByFormula 16 Esi- C11352 147.9859 69011 (146.9796, 1009446.7)(147.9859, 24692.37)(148.9797, 159151.84) 35.85 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone 6.777 FindByFormula 7 Esi- LMPK12110612 376.0764 49042 (375.0719, 6245.75)(376.0797, 1343.45) 73.28 5,7,8-Trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate 3.2834456 FindByFormula 36 Esi- LMPK12113305 444.1452 51717 (221.0622, 546.57)(443.1402, 16201.44)(444.1386, 5756.75)(445.1353, 5395.74)(446.1359, 1496.79)(447.1191, 401.02) 49.28 5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12S 15.325614 FindByFormula 36 HMDB06111 Esi- LMFA03060064 320.2313 75012 (639.4487, 1402.13)(640.4573, 435.55)(641.4645, 497.89)(319.2243, 1179833.6)(320.2312, 138734.44)(321.2372, 29578.97)(322.2414, 3480.16)(323.2351, 862.84) 50.3 5?-Cholanic acid-3?, 12?-diol N-(2-sulphoethyl)-amide 13.223482 FindByFormula 29 Esi- 499.2981 44688 (498.2891, 28195.97)(499.2933, 9832.46)(500.2914, 13925.26) 70.41 5a-Cholestane-3a,7a,12a,25-tetrol Esi-19.3675 19.3675 FindByFormula 20 HMDB00520 Esi- 436.353 5505 (435.351, 15383.65)(436.3529, 4733.87)(437.3616, 3426.33) 47.15 5a-Cholestane-3a,7a,12a,25-tetrol 19.597 FindByFormula 7 HMDB00520 Esi- 436.3549 5505 (435.3465, 21394.04)(436.3499, 6397.33) 76.17 5a-Dihydrotestosterone sulfate Esi-13.40978 13.40978 FindByFormula 36 Esi- LMST05020023 416.1907 57975 (415.1811, 16583.51)(416.1826, 4417.94)(417.1864, 1936.22) 79.72 5a-Dihydrotestosterone sulfate 19.626328 FindByFormula 36 Esi- LMST05020023 370.1811 57975 (369.1746, 55183.57)(370.1768, 18025.47)(371.1772, 5108.87) 80.84 5b-Cholestane-3a,7a,12a,24,25-pentol Esi-19.362 19.362 FindByFormula 4 HMDB00556 Esi- 498.3567 5540 (497.3485, 10530.01)(498.3486, 3074.07) 72.7 5b-Cholestane-3a,7a,12a,24,25-pentol 6.6287994 FindByFormula 10 HMDB00556 Esi- 498.3542 5540 (497.3467, 5882.05)(498.3496, 1983.32)(499.3483, 627.71) 80.19 5-benzyl-5-(pyridin-3-yl)imidazolidine-2,4-dione 9.253999 FindByFormula 9 Esi- 327.1193 96287 (326.114, 7279.32)(327.1156, 1610.28)(328.1231, 1236.95) 67.88 5beta-Chola-3,11-dien-24-oic Acid 18.923998 FindByFormula 10 Esi- LMST04010388 712.5413 84694 (355.2635, 15021.86)(356.2658, 4500.96) 76.59 5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate 14.943315 FindByFormula 32 Esi- LMST01010329 658.2667 83930 (657.2608, 33960.79)(658.2629, 13987.64)(659.261, 5381.0)(660.2724, 12298.46) 70.8 5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate Esi-10.625 10.625 FindByFormula 3 Esi- LMST01010329 612.2636 83930 (611.2589, 11877.63)(612.2591, 4416.47)(613.261, 1272.91) 76.02 5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate Esi-11.439357 11.439357 FindByFormula 14 Esi- LMST01010329 612.2658 83930 (611.2576, 25389.74)(612.2577, 8818.28)(613.2542, 2791.4) 81.75 5beta-scymnol sulfate 5.985 FindByFormula 6 Esi- C16261 LMST05020017 668.3348 57970 (333.1642, 8817.21)(333.6688, 215.24)(334.1649, 2304.64) 67.48 5-bromo-3-cyclohexyl-2-hydroxybenzamide 3.2472048 FindByFormula 34 Esi- 357.0559 96350 (713.1174, 653.91)(715.1193, 1554.32)(356.0478, 31421.45)(357.0471, 6249.67)(358.0485, 1845.93) 38.73 5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one; R 29676 0.823 FindByFormula 8 Esi- 311.1038 2383 (310.0971, 18547.54)(311.0962, 6981.97) 50.55 5-Fluorodeoxyuridine monophosphate 0.832 FindByFormula 3 Esi- C04242 326.0392 66144 (325.0227, 24981.23)(326.0413, 1508.76)(327.0232, 10863.39) 42.89 5-Heptynoic acid, 7-bromo-; 7-Bromo-5-heptynoic acid 1.0870001 FindByFormula 20 Esi- LMFA01090030 203.9808 74841 (202.9734, 27892.77)(203.9793, 1404.31)(204.9658, 9169.55)(205.967, 642.76) 57.24 5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone 1.5180345 FindByFormula 29 HMDB41257 Esi- 402.0954 95674 (200.0465, 218.65)(401.091, 23050.99)(402.0944, 7112.41)(403.0854, 5277.3) 58.54 5-Hydroxybuspirone 12.856781 FindByFormula 36 Esi- 447.2472 1451 (446.2407, 83115.48)(447.2469, 21455.06)(448.2442, 4715.72) 92.25 5-Hydroxymethyldeoxycytidylate 13.772 FindByFormula 3 Esi- C03997 397.0967 63411 (396.0843, 6363.03)(397.0875, 2725.42)(398.0831, 3155.34) 57.1 5-Hydroxypropafenone 14.482098 FindByFormula 30 Esi- 403.2002 2150 (402.1925, 6189.67)(403.1978, 2112.82)(404.2047, 808.97) 66.87 5-Hydroxysulfapyridine 6.4605002 FindByFormula 18 Esi- 265.0533 2553 (264.047, 5905.08)(265.0513, 1270.43)(266.0379, 4277.95)(267.0525, 484.79) 58.65 5-Hydroxythiabendazole 6.649724 FindByFormula 36 Esi- 263.0382 2824 (262.0317, 41376.79)(263.0352, 6197.58)(264.0296, 15170.62)(265.0331, 2621.2) 47.55 5-Methylthiopentanaldoxime 5.6191106 FindByFormula 36 Esi- C17245 193.078 64513 (192.0704, 176521.31)(193.0741, 19640.79)(194.0748, 2771.85) 88.5 5-O-?-D-Mycaminosyltylactone 16.95715 FindByFormula 26 Esi- C12001 613.3878 63716 (612.3793, 6934.56)(613.3823, 2685.55)(614.3685, 3697.8)(615.3731, 1390.78)(616.3618, 1141.47) 44.99 5-Pentacosyl-1,3-benzenediol 22.01375 FindByFormula 4 HMDB38485 Esi- 506.435 93164 (505.4266, 15226.39)(506.4295, 5596.51) 76.43 5-Tricosyl-1,3-benzenediol 21.028921 FindByFormula 26 HMDB38524 Esi- 478.4021 93199 (477.3932, 51105.99)(478.3966, 17581.05)(479.407, 18484.86)(480.4104, 5695.06)(481.4122, 1777.16) 62.9 6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside 17.295 FindByFormula 17 HMDB34032 Esi- 426.1609 89669 (425.1431, 7550.71)(426.1448, 2795.92) 46.71 6-(2-Chloroallylthio)purine 0.776 FindByFormula 6 Esi- C15397 272.0161 70866 (543.0503, 2486.99)(271.0054, 201302.78)(272.0054, 25599.0) 48.99 6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one 1.2726924 FindByFormula 13 Esi- C15352 576.0677 70825 (287.0288, 27653.38)(287.5369, 177.47)(288.0438, 146.27) 70.64 6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone 12.457 FindByFormula 1 Esi- C11953 572.3317 63703 (571.3303, 8832.35)(572.3237, 3621.6)(573.337, 1147.74) 85.01 6?-Methylprednisolone Acetate 15.327463 FindByFormula 26 Esi- C08179 416.2195 43896 (207.1026, 20448.06)(207.5982, 246.2)(208.1089, 6844.05)(415.2136, 3977.76)(416.2146, 943.37)(417.2315, 6001.13) 60.08 6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol 11.7 FindByFormula 5 Esi- LMST01031065 508.3767 84015 (253.1808, 6628.66)(253.671, 72.84)(254.1868, 1512.22) 63.97 6-Bromo-5E,9Z,13Z-docosatrienoic acid 18.007002 FindByFormula 10 Esi- LMFA01090104 458.2014 96831 (915.3986, 4381.96)(916.4042, 2359.58)(917.4037, 1683.97)(457.193, 10206.63)(458.2106, 3950.55)(459.1901, 706.32) 59.94 6-Chloroapigenin 0.938 FindByFormula 10 Esi- LMPK12110430 350.0224 48861 (349.0139, 9379.72)(350.0249, 3736.06)(351.0106, 5624.97) 39.57 6-Cyano-7-nitroquinoxaline-2,3-dione 1.267 FindByFormula 5 Esi- C13668 292.0467 69622 (291.0393, 9489.84)(292.0343, 680.42)(293.0341, 2157.81) 52.65 6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C 14.829001 FindByFormula 8 Esi- C17589 671.2965 71798 (1341.5824, 3990.89)(1342.591, 2589.8)(1343.56, 1828.2)(672.2951, 9960.35) 47.05 6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C Esi-13.725 13.725 FindByFormula 4 Esi- C17589 613.2756 71798 (612.2761, 64232.16)(613.2735, 26823.08)(614.2726, 12267.5) 61.12 6'''-Deamino-6'''-hydroxyneomycin C Esi-14.769 14.769 FindByFormula 2 Esi- C17588 615.2853 71797 (614.2902, 74977.57)(615.2955, 43148.36)(616.2951, 14341.17) 64.22 6'''-Deamino-6'''-hydroxyneomycin C Esi-13.429496 13.429496 FindByFormula 36 Esi- C17588 675.3147 71797 (674.3066, 37355.64)(675.3099, 13478.61)(676.312, 7115.53)(677.3121, 2600.85) 66.28 6'''-Deamino-6'''-hydroxyneomycin C 13.685057 FindByFormula 36 Esi- C17588 675.3167 71797 (674.3081, 74687.23)(675.3109, 25572.61)(676.312, 8929.06)(677.2617, 1971.86) 79.91 6'''-Deamino-6'''-hydroxyneomycin C Esi-13.670749 13.670749 FindByFormula 16 Esi- C17588 675.3159 71797 (674.3076, 170220.23)(675.3103, 57168.67)(676.311, 18610.62) 84.29 6'-Dehydro-6'-oxoparomamine 14.8499155 FindByFormula 12 Esi- C17583 381.1742 71792 (380.166, 15074.56)(381.1736, 8444.78)(382.1691, 1642.88) 61.05 6-Desmethylprazosin 17.5855 FindByFormula 12 Esi- 415.152 2064 (414.1447, 5409.98)(415.1464, 2150.25)(416.1382, 1247.74) 60.02 6-HydroxyKetanserinol 15.307554 FindByFormula 36 Esi- 473.2031 891 (472.193, 64683.7)(473.1945, 19356.92)(474.1929, 4704.69) 68.78 6-HydroxyKetanserinol Esi-5.773736 5.773736 FindByFormula 19 Esi- 473.2 891 (472.1915, 6244.47)(473.1963, 1903.03)(474.1942, 505.48) 76.61 6-HydroxyKetanserinol Esi-5.9623346 5.9623346 FindByFormula 33 Esi- 473.1995 891 (472.1919, 10535.48)(473.1946, 2800.7)(474.1961, 904.72) 78.97 6-Hydroxyondansetron glucuronide 20.197 FindByFormula 5 Esi- 545.2096 1656 (544.1965, 3427.48)(545.2012, 1633.47)(546.2133, 398.94) 42.78 6-Hydroxysandoricin 9.873498 FindByFormula 20 HMDB37556 Esi- 604.2516 92413 (301.1187, 43126.26)(301.6342, 143.38)(302.1221, 7712.64) 70.99 6-methoxy Naphthalene Acetic Acid 1.478375 FindByFormula 8 Esi- 216.0727 1371 (215.0713, 622199.6)(216.0782, 35266.65)(217.076, 9608.31) 77.99 6-Methoxy-3-(2-thiazolyl)-1H-indole 2.168 FindByFormula 8 HMDB38632 Esi- 460.098 93293 (229.0421, 12649.46)(230.039, 1736.4) 45.56 6-Methoxy-3-(2-thiazolyl)-1H-indole Esi-0.81799996 0.81799996 FindByFormula 7 HMDB38632 Esi- 230.0516 93293 (229.0425, 18970.34)(230.0455, 386.4) 52.57 6-Methylthiohexanaldoxime 6.4609437 FindByFormula 36 Esi- C17246 207.0941 64516 (206.0875, 60223.68)(207.0897, 8639.85)(208.0818, 3815.41) 78.55 6-O-Methylarmillaridin 17.812078 FindByFormula 26 HMDB35690 Esi- 462.1777 90952 (461.1716, 7710.35)(462.1756, 2021.94)(463.1682, 3471.38)(464.1663, 1115.54)(465.1868, 1761.14) 69.12 6-O-Methylguanine 0.77400005 FindByFormula 10 Esi- 211.0651 64619 (421.1026, 6799.92)(422.1107, 1915.82)(423.1125, 939.28)(210.0658, 15166.97)(211.0703, 2623.13)(212.0583, 8203.2) 50.99 6-O-Oleuropeoylsucrose 18.227776 FindByFormula 36 HMDB38117 Esi- 508.2152 92867 (507.2078, 15518.97)(508.2098, 4706.19)(509.2127, 1799.45) 87.4 6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoate 0.9480001 FindByFormula 5 Esi- C06651 415.8932 66478 (206.9385, 30521.65)(207.4459, 298.09) 43.74 7,12-Dimethylbenz[a]anthracene 5,6-oxide 11.944997 FindByFormula 20 Esi- C19604 272.1217 73259 (271.1155, 4697.6)(272.1153, 845.22)(273.1134, 1826.39)(274.1105, 407.28) 52.54 7,8,7',8'-Tetradehydroastaxanthin Esi-17.003 17.003 FindByFormula 6 Esi- LMPR01070052 638.3603 41316 (637.3509, 515241.44)(638.3551, 76717.18)(639.3554, 14919.19) 61.64 7,8,7',8'-Tetradehydroastaxanthin 15.270293 FindByFormula 24 Esi- LMPR01070052 592.3549 41316 (295.1688, 139.15)(591.3507, 118138.73)(592.3452, 32794.35)(593.348, 6458.67) 65.88 7?-(Thiomethyl)spironolactone Esi-19.928175 19.928175 FindByFormula 17 Esi- 434.2139 2483 (433.2059, 13031.34)(434.2108, 5563.2)(435.2093, 1677.78) 72.76 7?-(Thiomethyl)spironolactone 20.043493 FindByFormula 34 Esi- 434.2143 2483 (433.2065, 17431.11)(434.2103, 6527.73)(435.2115, 2249.49) 76.06 7?-(Thiomethyl)spironolactone sulfone 15.217 FindByFormula 6 Esi- 480.2193 2485 (479.2087, 23934.14)(480.2106, 7019.44)(481.2392, 3687.38) 58.52 7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C 1.1420001 FindByFormula 8 Esi- C06569 432.0966 64545 (215.0399, 358587.4)(215.5442, 667.5)(216.0467, 18930.5) 65.46 7-bromo-5-heptynoic acid 1.075 FindByFormula 4 Esi- 407.9591 35906 (202.9728, 27605.8)(203.9762, 1709.12) 50 7-Epiloganin tetraacetate 14.028311 FindByFormula 26 Esi- C11662 LMPR0102070029 618.2218 41174 (617.2056, 15988.57)(618.207, 8133.83) 38.41 7-Hydroxybenzo[a]pyrene 6.7600574 FindByFormula 36 Esi- C14558 314.0953 70153 (313.088, 16060.84)(314.0915, 3449.36)(315.0803, 455.55) 91.68 7-Hydroxylevomepromazine 18.839998 FindByFormula 7 Esi- 404.1808 1196 (403.172, 80160.43)(404.1754, 18144.97) 59.42 7-Hydroxylevomepromazine Esi-18.838 18.838 FindByFormula 7 Esi- 808.3847 1196 (403.1703, 54276.61)(404.1738, 13053.39) 72.07 7-Hydroxyriluzole Esi-0.95457155 0.95457155 FindByFormula 14 Esi- 296.008 2334 (294.9988, 33233.61)(295.995, 6303.62)(296.9949, 15357.24)(298.0002, 1535.56) 34.33 7-Hydroxyriluzole 1.1596154 FindByFormula 13 Esi- 296.0069 2334 (295.0006, 18549.23)(295.9896, 894.16)(296.995, 7611.63) 48.64 7-Oxociguatoxin 14.006 FindByFormula 6 HMDB39389 Esi- 1126.5717 93965 (1125.5677, 7854.39)(1126.563, 6062.05)(1127.572, 9502.4) 62.31 7R-hydroxy-hexadecanoic acid 14.133749 FindByFormula 16 Esi- LMFA01050414 272.2369 74703 (271.2276, 76803.95)(272.2308, 15459.25)(273.2333, 2500.21) 98.01 8?-Hydroxycarapin, 3,8-Hemiacetal 0.6729999 FindByFormula 10 Esi- 484.2082 43974 (967.4034, 3024.48)(241.0972, 35940.34)(241.6048, 430.79) 57.87 8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene Esi-11.457001 11.457001 FindByFormula 4 Esi- C11565 273.1246 69098 (272.1182, 16220.72)(273.1232, 3162.81) 79.73 8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene 10.738565 FindByFormula 35 Esi- C11565 273.1251 69098 (272.1185, 8026.68)(273.1224, 1728.13)(274.1273, 303.78) 95.9 8-Chloro-2,7-dibenzofurandiol 1.5215379 FindByFormula 26 Esi- C15242 234.0068 70719 (467.0148, 12230.61)(468.0061, 2935.7)(469.0071, 4797.42)(232.9992, 27628.54)(234.0097, 7304.65)(235.0057, 1664.6) 53.17 8-HETE 15.159771 FindByFormula 13 Esi- C14776 LMFA03060086 320.235 45977 (319.2245, 1277751.8)(320.2316, 156928.6)(321.2356, 27757.42) 53.96 8-HpODE 16.895222 FindByFormula 36 Esi- LMFA02000103 312.2289 74451 (311.2262, 37132.97)(312.2296, 8127.3)(313.232, 1973.19) 70.88 8-Hydroxyluteolin 7-[6'''-acethylallosyl-(1-2)-3''-acetylglucoside] 15.326002 FindByFormula 9 Esi- LMPK12111379 710.1715 49803 (709.1641, 9326.16)(710.165, 2726.65)(711.1604, 539.44) 85.59 8-Hydroxypurine 0.909 FindByFormula 4 HMDB12182 Esi- 230.0644 62841 (114.0253, 13582.07)(114.535, 45.79) 67.97 8-oxo-dGDP 0.644 FindByFormula 9 HMDB59648 Esi- 503.0428 96251 (502.0371, 19486.16)(503.0336, 5115.82)(504.048, 946.42) 61.63 8-Prenylafzelechin 5-methyl ether Esi-23.754 23.754 FindByFormula 10 Esi- LMPK12020136 356.1658 47352 (355.1586, 103515.32)(356.1608, 33468.77)(357.1604, 9648.29) 59.36 8-Prenylafzelechin 5-methyl ether 23.74929 FindByFormula 36 Esi- LMPK12020136 356.1661 47352 (711.3194, 580.78)(355.1582, 106248.4)(356.1603, 34566.15)(357.1602, 9276.17) 64.18 8-Prenylafzelechin 5-methyl ether Esi-19.126862 19.126862 FindByFormula 28 Esi- LMPK12020136 356.1627 47352 (355.1556, 974007.56)(356.16, 221593.62)(357.1625, 40804.15)(358.1639, 7683.4) 97.08 8-Prenylkaempferol 3-rhamnosyl-(1-3)-[apiosyl-(1-6)-glucoside] Esi-14.374623 14.374623 FindByFormula 32 Esi- LMPK12112561 854.2787 50976 (853.2802, 18648.96)(854.2779, 10967.37)(855.2711, 4310.04) 65.82 8-Prenylkaempferol 3-rhamnosyl-(1-3)-[apiosyl-(1-6)-glucoside] 14.392 FindByFormula 9 Esi- LMPK12112561 1708.5824 50976 (853.2798, 18728.16)(854.2769, 10654.51)(855.2738, 4335.71) 66.61 8-Prenylkaempferol 4'-methyl ether 3-[4'''-,6'''-diacetylglucosyl-(1-3)-4''-acetylrhamnoside] 16.924 FindByFormula 5 Esi- LMPK12112027 848.2956 50443 (847.2703, 9248.27)(848.2606, 4977.19) 51.77 8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1-4)-rhamnoside 23.753002 FindByFormula 10 Esi- LMPK12112644 690.2519 51058 (344.1176, 322.8)(689.2444, 8174.6)(690.2474, 3467.18)(691.2427, 598.12) 85.9 8-Propyloxycaffeine 3.2463086 FindByFormula 26 Esi- 298.1265 96361 (297.12, 13592.9)(298.1225, 2192.63)(299.1287, 1421.56) 78.68 8R,9S-cis-epoxy-10S-hydroxy-eicosa-11Z,14Z-dienoic acid. 13.900883 FindByFormula 25 Esi- LMFA03000014 384.256 96921 (383.2476, 15118.36)(384.2505, 3794.76) 54.97 9,10-dibromo-stearic acid 0.777 FindByFormula 2 Esi- LMFA01090084 440.0914 96811 (219.039, 50282.68)(219.5357, 162.35) 59.47 9,11-methane-epoxy PGF1? 18.9102 FindByFormula 15 Esi- 352.2604 45093 (351.2554, 10555.33)(352.2581, 2549.59) 79.44 9,12-dimethoxy-13-hydroxy-10-octadecenoic acid 19.380999 FindByFormula 10 Esi- LMFA01080005 404.2681 74816 (403.2698, 17337.83)(404.2564, 111.26)(405.2741, 2023.75) 68.09 9-Aminocamptothecin 7.332 FindByFormula 1 Esi- C16822 363.1261 71369 (362.1151, 6026.29)(363.1192, 1503.21)(364.1241, 222.51) 95.61 9-Anthroic acid 0.95500004 FindByFormula 10 Esi- C13699 222.0694 69645 (443.1323, 3102.88)(444.1357, 1133.74)(444.9951, 271.3)(221.062, 934481.2)(222.069, 45300.39)(223.0698, 8111.85)(224.0687, 1282.05) 65.41 9-Hydroxy-2,6-dichlorodibenzofuran 3.2866108 FindByFormula 36 Esi- C15247 311.9956 70724 (622.9858, 3265.53)(623.9858, 1625.06)(310.9889, 19673.64)(311.9898, 2689.55)(312.9867, 8708.33)(314.002, 2152.06) 67.28 9-Methoxy-alpha-lapachone 7.654 FindByFormula 8 Esi- C10372 272.1039 68285 (271.097, 4846.01)(272.0955, 1405.61)(273.0865, 480.85) 39.42 9-Methyl-7-bromoeudistomin D 0.95900005 FindByFormula 7 Esi- C13748 413.9205 69679 (412.9128, 22970.58)(413.9112, 3338.0)(414.9157, 7706.52) 54.56 9-Methylxanthine 0.7749999 FindByFormula 3 HMDB59716 Esi- 332.0945 96280 (165.0444, 42170.37)(166.0416, 18058.94) 43.87 9-Nitroanthracene 0.65440005 FindByFormula 35 Esi- C19470 223.0622 73164 (110.5227, 567.74)(222.0555, 62193.08)(223.0573, 7402.27) 78.49 9-O-Demethyl-2alpha-hydroxyhomolycorine 23.733 FindByFormula 10 Esi- C12239 363.1298 69386 (362.1228, 21919.88)(363.1279, 4758.67) 74.18 9-O-Demethyl-2alpha-hydroxyhomolycorine Esi-14.196001 14.196001 FindByFormula 10 Esi- C12239 363.1308 69386 (362.1224, 6743.16)(363.1289, 1703.14)(364.1223, 182.45) 78.54 9R-hydroxy-12E-octadecenoic acid 14.883109 FindByFormula 36 Esi- 298.2528 35653 (297.2413, 278016.25)(298.2466, 42137.07)(299.2489, 5919.93) 79.08 9R-hydroxy-12E-octadecenoic acid Esi-15.234078 15.234078 FindByFormula 26 Esi- 298.2547 35653 (297.2463, 64159.7)(298.2494, 13823.39)(299.251, 2057.91) 79.27 9Z,11Z-Tetradecadienyl acetate 16.966002 FindByFormula 8 Esi- LMFA07010324 252.2078 46323 (251.2011, 3247.68)(252.2028, 619.8) 79.56 A 922500 18.00106 FindByFormula 36 Esi- 428.1732 64728 (427.1658, 1032957.56)(428.17, 293418.28)(429.1732, 61871.38)(430.1754, 12066.22) 98.01 AB005 Esi-18.463 18.463 FindByFormula 4 Esi- 398.2525 85059 (397.2472, 6994.87)(398.2477, 2961.25) 35.97 AB005 18.804 FindByFormula 8 Esi- 398.2525 85059 (397.2468, 15039.45)(398.2505, 4145.5)(399.2533, 1115.96) 78.88 Abu-His-OH 1.191 FindByFormula 8 Esi- 348.103 65210 (347.0997, 70111.74)(348.1017, 11213.26) 83.95 Acarbose (component 2) 6.2540007 FindByFormula 10 Esi- 482.1959 764 (240.0923, 120488.96)(240.5893, 233.87)(241.0951, 16036.5) 70.13 Acetic anhydride Esi-0.8806667 0.8806667 FindByFormula 12 HMDB31646 Esi- 102.0293 87835 (101.026, 77306.91)(102.028, 5318.37) 69.59 Acetic anhydride 1.2246665 FindByFormula 30 HMDB31646 Esi- 102.0316 87835 (203.0546, 3047.32)(101.025, 54600.72)(102.0279, 3013.02) 85.01 Acetylsoyasaponin A3 14.581317 FindByFormula 19 HMDB39479 Esi- 1244.5791 94051 (1243.571, 6161.8)(1244.5709, 4766.74)(1245.5708, 4716.66)(1246.5865, 6401.5)(1247.5814, 5006.55)(1248.5774, 4291.6)(1249.5739, 3288.76)(1250.5874, 5244.62)(1251.5914, 4557.57)(1252.5792, 3008.62)(1253.5748, 3705.14)(1255.5947, 8034.76) 42.93 Acetylsoyasaponin A3 Esi-15.020002 15.020002 FindByFormula 9 HMDB39479 Esi- 1244.5778 94051 (1243.5769, 9084.14)(1244.5731, 6820.18)(1245.59, 8788.81)(1246.5905, 10325.71)(1247.5875, 6222.41)(1248.5848, 6092.67) 58.76 Acidissiminol 9.896 FindByFormula 9 HMDB38618 Esi- 786.4668 93279 (392.2268, 26729.34)(393.23, 5424.71)(394.229, 822.93) 65.81 Acifluorfen 3.292693 FindByFormula 13 HMDB37112 Esi- 407.0032 92084 (812.9953, 2774.06)(814.021, 2321.6)(405.9965, 22392.09)(406.9747, 821.04) 45.16 Aconine 13.7221155 FindByFormula 36 Esi- C19990 545.2907 73475 (544.2779, 79821.07)(545.2809, 24332.88)(546.2854, 6480.67)(547.2877, 1485.06) 93.45 Acotiamide 15.3112755 FindByFormula 36 Esi- C14127 450.1942 69819 (899.3839, 1118.31)(900.3688, 1056.6)(901.386, 676.99)(449.1876, 26737.77)(450.1921, 8195.65)(451.1908, 2372.68) 83.86 ACS 67 18.222998 FindByFormula 10 Esi- 644.1929 45573 (643.186, 7004.44)(644.1887, 2833.53)(645.18, 1903.38) 79.61 Aculeacin A Esi-14.0290365 14.0290365 FindByFormula 25 Esi- C01776 1078.5771 65650 (1077.5708, 10921.69)(1078.5697, 8633.51)(1079.562, 8075.79) 31.55 Aculeacin A 16.314499 FindByFormula 20 Esi- C01776 1078.5902 65650 (538.2826, 27285.08)(538.7728, 219.01)(539.2849, 8432.03) 70.5 Acutoside B 14.041 FindByFormula 10 HMDB31164 Esi- 1190.6058 87457 (594.2932, 51161.56)(594.7939, 438.21)(595.2965, 23546.9)(1189.5748, 7950.98)(1190.5507, 4889.54)(1191.5565, 5399.01)(1194.5444, 3916.01)(1195.5544, 7707.29) 46.82 Acutoside C 14.219 FindByFormula 10 HMDB41138 Esi- 1203.5841 95567 (1205.5969, 5436.53)(1206.5996, 8184.31)(1207.6089, 2807.21)(1208.6078, 5748.53) 66.36 Acyclovir (8-hydroxy-9-(2-hydroxythoxymethyl)guanine 1.1610001 FindByFormula 7 Esi- 285.0717 791 (284.0632, 15284.73)(285.0627, 3936.54) 52.45 Adenosine 2',5'-bisphosphate 0.6719411 FindByFormula 17 Esi- C03850 427.0287 66062 (853.0624, 384.77)(426.0247, 16857.87)(427.0236, 4111.44) 52.19 Adiantifoline 5.787 FindByFormula 6 Esi- C09323 786.3725 67601 (785.3655, 10694.24)(786.3678, 4673.77)(787.3693, 1884.74) 91.24 AG-183 5.6411705 FindByFormula 35 Esi- 268.0596 45250 (267.0527, 17734.66)(268.0502, 2805.33)(269.059, 367.89) 90 AG-99 1.8143332 FindByFormula 30 Esi- 250.055 45248 (249.0495, 72347.3)(250.0514, 9742.32)(251.0506, 2136.07) 75.21 AL 6598 19.111 FindByFormula 8 Esi- 490.2684 64825 (489.2607, 9761.87)(490.2631, 3754.47)(491.2526, 3782.26) 50.46 Ala Ala Asp 0.7932413 FindByFormula 29 Esi- 275.1108 15667 (274.1041, 47792.07)(275.1027, 9940.11)(276.1036, 8705.34) 46.59 Ala Glu Trp 19.378878 FindByFormula 16 Esi- 450.1776 16665 (449.1692, 786410.2)(450.1762, 144227.77)(451.1765, 44966.33)(452.179, 8450.69) 74.65 Ala Glu Trp Esi-18.232277 18.232277 FindByFormula 22 Esi- 404.1627 16665 (403.162, 1726751.0)(404.1639, 649791.9)(405.1687, 94506.71) 76.93 Ala His Lys 23.748121 FindByFormula 24 Esi- 354.1952 17862 (707.4509, 860.54)(708.4182, 543.75)(709.4283, 3447.31)(353.1971, 18849.24)(354.1872, 5846.26) 58.01 Ala Lys His 23.746998 FindByFormula 10 Esi- 354.2032 23243 (707.4019, 1134.55)(708.3981, 1089.42)(353.1949, 23469.42)(354.19, 6031.98) 64.65 Ala Lys Ser 7.49 FindByFormula 2 Esi- 396.1861 23240 (197.0861, 7103.28)(197.5769, 111.38)(198.086, 926.62) 63 Alamarine 15.777908 FindByFormula 22 Esi- C09326 338.1275 67604 (337.1195, 15473.57)(338.1221, 5534.73)(339.1215, 1674.32) 72.8 Alanyl-Glycine 0.75884634 FindByFormula 26 HMDB28687 Esi- 146.0679 85603 (145.0598, 980868.7)(146.0592, 44460.95)(147.0587, 5353.04) 72.17 a-L-Arabinofuranosyl-(1-3)-[a-L-arabinofuranosyl-(1r5)]-L-arabinose 19.116667 FindByFormula 15 HMDB41223 Esi- 414.1379 95642 (413.1287, 16279.41)(414.1303, 4617.15)(415.1263, 5079.13)(416.1258, 1667.43)(417.131, 842.2) 33.61 Albafuran B 18.396503 FindByFormula 20 HMDB30072 Esi- 378.1817 86706 (755.3687, 1192.67)(756.361, 902.97)(377.1739, 112510.38)(378.1765, 28712.59) 71.79 Aldoifosfamide 3.2927687 FindByFormula 26 Esi- C16556 322.0257 747 (643.033, 959.28)(644.0398, 553.6)(645.035, 206.55)(646.0651, 318.06)(321.0169, 33125.98)(322.0159, 3064.35)(323.0236, 7412.22)(324.0243, 2359.7)(325.0125, 1098.68) 52.65 Alhagidin 14.071001 FindByFormula 10 Esi- LMPK12140381 771.2422 52865 (771.2399, 3695.11)(772.2386, 16523.31)(773.2439, 10323.9)(774.2455, 7801.32) 61.81 Aliskiren 19.107 FindByFormula 6 HMDB15387 Esi- 611.4058 85483 (610.4051, 34039.71)(611.4081, 17685.47)(612.41, 5823.62) 72.73 all-trans-Carophyll yellow 20.985 FindByFormula 10 HMDB32879 Esi- 506.34 88793 (505.3322, 8306.18)(506.335, 3133.74)(507.3379, 968.81) 95.22 all-trans-heptaprenyl diphosphate 18.222 FindByFormula 8 Esi- C04216 LMPR03030006 714.4152 53854 (713.3957, 8812.33)(714.3981, 5544.56) 60.06 all-trans-hexaprenyl diphosphate 11.897001 FindByFormula 9 Esi- C01230 LMPR03030005 646.3375 53853 (645.3313, 3752.23)(646.3319, 1501.94)(647.3394, 849.55) 69.41 alNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:0) 14.554779 FindByFormula 36 Esi- LMSP0601CI06 1511.9338 56583 (1510.9281, 19751.73)(1511.9309, 16603.74)(1512.9333, 8094.65)(1513.9337, 3341.95) 72.11 alpha-kamlolenic acid 14.436 FindByFormula 6 Esi- LMFA02000156 294.2214 35492 (293.2152, 12167.03)(294.2185, 3007.75) 57.65 alpha-kamlolenic acid Esi-15.540627 15.540627 FindByFormula 16 Esi- LMFA02000156 294.2176 35492 (293.2145, 49475.37)(294.2173, 10677.42)(295.2273, 3932.59) 65.11 Alteichin 0.6552286 FindByFormula 35 Esi- C10295 350.0756 68224 (174.0369, 1458.4)(349.0707, 134677.44)(350.0732, 16257.06)(351.0691, 3366.57) 75.82 Aluminum acetate 0.934 FindByFormula 6 Esi- 204.0222 4000 (203.0147, 44635.14)(204.0107, 8240.71) 54.08 Aluminum acetate Esi-5.152 5.152 FindByFormula 4 Esi- 264.0442 4000 (263.0376, 4140.73)(264.0268, 428.88) 72 AM2232 7.7642307 FindByFormula 13 Esi- 398.1644 85066 (397.1576, 7384.03)(398.1601, 1839.47)(399.1574, 555.39) 82.71 AM251 0.773 FindByFormula 6 Esi- 600.0207 43422 (599.013, 6749.08)(600.0021, 2709.83)(601.0078, 4170.59)(602.0294, 2116.25)(603.0037, 1366.96) 67.2 Amarogentin 15.2890005 FindByFormula 7 Esi- C09767 1172.3347 73556 (585.1602, 6061.88)(586.1591, 2181.43) 56.6 Amastatin 10.546183 FindByFormula 11 Esi- C01552 474.2709 65611 (473.2645, 11583.36)(474.267, 3709.76) 60.06 Amataine 18.841848 FindByFormula 13 Esi- C08433 808.3638 66972 (403.1752, 89560.87)(403.6597, 252.23)(404.1778, 21055.63) 56.44 Ambrettolic acid 15.530001 FindByFormula 5 Esi- LMFA01050106 270.2188 35483 (269.2108, 21653.7)(270.2139, 5082.11) 71.35 Amidosulfuron 1.8129995 FindByFormula 30 Esi- C10933 369.0391 68700 (737.0614, 668.94)(738.0613, 693.44)(739.0757, 842.73)(368.0325, 25331.05)(369.0338, 4803.14)(370.0364, 1330.45) 74.4 amifloxacin 15.314006 FindByFormula 36 HMDB41826 Esi- 394.1678 96152 (393.1604, 9333.97)(394.164, 2301.4)(395.1585, 4138.5)(396.1607, 1482.86)(397.1604, 704.23) 61.99 Aminocaproic acid 5.9740005 FindByFormula 19 HMDB01901 Esi- C02378 LMFA01100035 131.0967 3926 (130.0895, 11685.11)(131.0866, 750.84)(132.092, 186.42) 73.8 Aminofurantoin 8.059444 FindByFormula 9 Esi- 254.0642 1577 (253.057, 5086.85)(254.0605, 1115.25)(255.0508, 107.91) 73.95 Amlodipine 15.355059 FindByFormula 35 HMDB05018 Esi- C06825 468.1674 955 (467.1621, 8586.1)(468.1613, 2608.77)(469.1585, 4358.23)(470.1472, 3140.62) 64.22 Ammodendrine 11.638 FindByFormula 4 Esi- C10125 254.1625 68134 (253.156, 10761.92)(254.1597, 1563.36) 85.99 Amorphigenol O-vicianoside 14.073595 FindByFormula 30 Esi- LMPK12060006 722.239 48019 (1443.5042, 1195.76)(1446.5173, 1292.87)(721.2356, 19681.3)(722.2346, 14364.51)(723.2376, 6653.31) 60.01 Amphibine A 13.705001 FindByFormula 9 Esi- C09997 573.3324 68076 (572.3263, 8633.56)(573.3307, 3480.95)(574.3253, 7878.76)(575.3247, 1564.69) 60.84 Amphibine H 15.092765 FindByFormula 26 HMDB29333 Esi- 605.3241 86197 (1209.6198, 2986.49)(1210.694, 150.46)(1213.6322, 8568.17)(604.3166, 33433.99)(605.3201, 13825.49)(606.3154, 13392.73)(607.3339, 16081.37) 49.59 Amphibine H Esi-15.1 15.1 FindByFormula 1 HMDB29333 Esi- 605.3236 86197 (604.3168, 31053.1)(605.3194, 13169.79)(606.3155, 12786.3) 62.13 Androsterone glucuronide Esi-10.629364 10.629364 FindByFormula 11 HMDB02829 Esi- C11135 LMST05010013 466.2545 2796 (465.2503, 14389.22)(466.253, 4828.5)(467.2488, 5260.99)(468.2529, 1952.17) 59.44 Androsterone glucuronide 10.624 FindByFormula 5 HMDB02829 Esi- C11135 LMST05010013 932.5119 2796 (465.249, 7726.01)(466.2504, 2708.79) 67.76 Androsterone sulfate 19.771112 FindByFormula 36 HMDB02759 Esi- C04555 370.1812 3559 (369.1731, 64184.91)(370.1754, 22133.03)(371.1759, 6293.1) 75.07 Angustibalin 0.796 FindByFormula 2 Esi- C09293 304.1334 67579 (303.1239, 8582.39)(304.1431, 135.59) 54.19 Angustine 17.57312 FindByFormula 34 Esi- C09032 373.1438 67367 (372.1365, 8252.85)(373.1404, 3292.38)(374.1408, 1313.8) 70.64 Anhwiedelphinine 17.580118 FindByFormula 17 Esi- C08657 652.2981 67092 (325.1419, 34344.34)(325.6397, 518.22)(326.1436, 7404.05) 65.38 Anhydroicaritin 3-(6'''-acetylgalactosyl)(1-3)-rhamnoside-7-glucoside 16.604002 FindByFormula 9 Esi- LMPK12112024 926.3113 50440 (925.2965, 4675.54)(926.2972, 2548.44)(927.2898, 374.99) 62.02 Anigorootin 19.372 FindByFormula 6 HMDB33185 Esi- 634.1538 89061 (633.1579, 21941.09)(634.1602, 7388.36)(635.1551, 10395.6)(636.1554, 3880.67)(637.1642, 3493.22) 59.61 Antillatoxin B (red color) Esi-14.678 14.678 FindByFormula 1 Esi- 565.3485 65429 (564.3412, 640679.6)(565.3489, 119431.52)(566.351, 28059.8)(567.3513, 5551.81) 58.47 Antillatoxin B (red color) Esi-15.468799 15.468799 FindByFormula 10 Esi- 565.3469 65429 (1129.6831, 21989.28)(1130.6868, 13809.97)(1131.6909, 6540.03)(1132.6923, 3956.62)(564.3456, 73776.2)(565.3487, 23703.49) 73.17 Antillatoxin B (red color) 14.453 FindByFormula 6 Esi- 565.3377 65429 (564.3425, 1191053.1)(565.3478, 289925.06)(566.354, 60835.76) 76.21 Apigenin 7-(6''-crotonylglucoside) 6.647 FindByFormula 2 Esi- LMPK12110390 500.1318 48821 (499.1215, 1595.6)(500.1342, 533.08)(501.1235, 197.11) 73.64 Apovincamine 6.5320005 FindByFormula 9 Esi- C09035 336.1846 67370 (335.1794, 6797.73)(336.1807, 1325.74) 61.96 Aprobarbital 1.521 FindByFormula 5 Esi- C07826 210.1014 66747 (104.0432, 202041.61)(104.5426, 476.69) 62.76 Arachidic acid(d3) 13.335845 FindByFormula 13 Esi- LMFA01010049 375.3439 96758 (374.336, 2711.82)(375.3342, 1162.73)(376.3441, 98.83) 63.17 Arachidonoyl Glycine-d8 Esi-19.228 19.228 FindByFormula 4 Esi- 429.3225 96396 (428.3241, 9119.79)(429.3255, 3693.68)(430.328, 1462.11) 59.9 Arachidonoyl Glycine-d8 Esi-19.229002 19.229002 FindByFormula 6 Esi- 858.6629 96396 (428.3276, 9472.94)(429.3287, 3891.42)(430.3376, 1538.98) 62.08 Arachidonoyl Glycine-d8 Esi-19.351 19.351 FindByFormula 7 Esi- 429.3329 96396 (428.3282, 15427.84)(429.3279, 6457.48)(430.3305, 2455.17) 62.84 Arachidonoyl Glycine-d8 19.249645 FindByFormula 34 Esi- 429.3239 96396 (428.3289, 14746.96)(429.3299, 5502.39)(430.3255, 1417.41) 63.59 Aragusteroketal 18.182625 FindByFormula 16 Esi- LMST01110016 536.4074 84262 (535.3986, 9567.4)(536.4003, 4203.94)(537.4116, 4557.89) 61.19 Araloside S1 Esi-15.079001 15.079001 FindByFormula 8 HMDB35497 Esi- 2401.3325 90779 (1199.6552, 8415.77)(1200.6382, 3289.65)(1201.6685, 2660.91)(1202.6776, 1620.52)(1203.6716, 14017.9)(1204.6686, 9779.82)(1205.674, 3728.98)(1206.6848, 1394.6) 52.55 Araloside S1 14.217999 FindByFormula 20 HMDB35497 Esi- 1200.6597 90779 (1199.6517, 70648.84)(1200.6549, 48244.13)(1201.6552, 20674.43)(1202.6527, 6253.23) 73.77 Arg Gln Pro 17.810997 FindByFormula 26 Esi- 399.2272 22928 (398.2154, 98319.72)(399.2181, 23558.34)(400.2205, 3770.71) 97.01 Arg Glu Pro 20.20489 FindByFormula 36 Esi- 460.229 18544 (459.2214, 26862.38)(460.2238, 11223.17)(461.2279, 3255.46) 73.48 Arg Gly Cys 23.754562 FindByFormula 36 Esi- 334.1406 22759 (667.245, 585.96)(166.0611, 3177.8)(333.1353, 13361.07)(334.1378, 2641.46)(335.1324, 1074.4) 94.28 Arg His Val 6.9690003 FindByFormula 5 Esi- 410.241 23184 (409.2326, 7093.68)(410.2359, 1891.2) 76.51 Arg Met Glu 19.247635 FindByFormula 33 Esi- 480.2038 19523 (479.1955, 9278.77)(480.1976, 2745.13)(481.1936, 4097.38)(482.1921, 1896.27)(483.1955, 1027.31) 65.27 Arg Met Pro 15.270705 FindByFormula 24 Esi- 402.2042 23353 (401.1956, 12707.18)(402.1932, 2841.69)(403.1922, 7326.21) 35.55 Arg Phe Phe 12.150001 FindByFormula 10 Esi- 468.247 18665 (467.2409, 8432.3)(468.2449, 2803.33)(469.2424, 653.9) 91.41 Arg Phe Pro 9.962725 FindByFormula 36 Esi- 418.2299 22897 (208.1079, 507.33)(417.224, 8866.91)(418.2262, 2719.2)(419.2223, 925.22) 68.49 Arg Pro Phe 12.859539 FindByFormula 26 Esi- 464.238 20387 (463.2308, 22956.55)(464.2326, 5876.09)(465.2276, 2535.75) 77.04 Arg Trp Phe Esi-13.224999 13.224999 FindByFormula 9 Esi- 567.2787 20924 (566.2691, 11651.19)(567.2796, 4327.52)(568.2792, 6559.96) 53.53 Arg Trp Phe 13.227998 FindByFormula 16 Esi- 567.2853 20924 (566.2691, 9684.93)(567.2721, 3026.09)(568.2771, 572.78) 74.76 Arg Tyr Arg Esi-15.564 15.564 FindByFormula 2 Esi- 553.2878 19991 (552.287, 9646.44)(553.287, 4631.89) 35.02 Arg Tyr Arg 10.192 FindByFormula 5 Esi- 986.5497 19991 (492.268, 13795.62)(493.2722, 3578.22) 80.27 Arg Tyr Arg Esi-11.43104 11.43104 FindByFormula 25 Esi- 493.2778 19991 (492.2698, 33598.6)(493.2722, 10342.18)(494.2741, 3320.45) 91.01 Arg Tyr Phe 10.777 FindByFormula 10 Esi- 484.2422 23331 (241.1137, 11623.68)(241.6119, 104.46)(242.1167, 1995.16) 66.99 Argenteane 15.108998 FindByFormula 24 HMDB39454 Esi- 700.3252 94026 (1400.6393, 826.61)(1401.6003, 3395.8)(1402.6031, 2802.19)(1404.5859, 1240.76)(699.3204, 11874.61)(700.307, 7655.94)(701.3118, 2331.08) 40.04 Argentine 19.631401 FindByFormula 25 Esi- C10753 406.2012 68550 (405.1934, 6502.82)(406.1967, 1860.17) 81.91 Argininic acid 0.76100004 FindByFormula 10 HMDB03148 Esi- 175.0917 58144 (349.0799, 2947.06)(174.089, 89651.17)(175.0917, 8748.93)(176.0951, 1924.83) 96 Argiopinin III 18.406002 FindByFormula 10 Esi- C20095 1438.9006 73537 (718.4368, 14863.92)(719.438, 6765.48) 67.32 Armillarivin 20.358606 FindByFormula 36 HMDB38917 Esi- 384.1956 93530 (383.1862, 1064714.1)(384.1901, 255929.56)(385.1932, 53501.21)(386.1955, 8707.05) 98.83 Armillatin 18.446 FindByFormula 5 HMDB38743 Esi- 656.428 93396 (655.4203, 94147.74)(656.4239, 39924.73) 68.33 Arnamiol 0.654 FindByFormula 2 HMDB35062 Esi- 450.1814 90415 (449.1736, 10450.99)(450.1732, 5010.77) 48.62 Aromatized deshydroxy-C-1027 chromophore 14.178 FindByFormula 6 Esi- C11443 875.2567 69041 (874.2582, 5904.71)(875.2575, 3386.39)(876.2586, 4235.62)(877.2716, 4694.77)(878.2727, 7560.1)(879.2756, 3912.25)(880.2799, 1744.43) 48.67 Artocommunol CA 6.714 FindByFormula 6 Esi- LMPK12111534 492.176 49956 (491.1688, 6498.53)(492.1727, 2017.87)(493.1753, 517.83) 88.28 Artonin B 18.923002 FindByFormula 9 HMDB34667 Esi- 502.2021 90121 (501.1962, 993.94)(502.2153, 466.85)(503.1971, 3817.57)(504.1995, 1095.39)(505.1936, 1712.66) 53.12 Artonin B Esi-15.222 15.222 FindByFormula 6 HMDB34667 Esi- 548.2086 90121 (547.2008, 5128.88)(548.2066, 1603.13)(549.2031, 406.63) 70.49 Artonin C 13.736 FindByFormula 9 HMDB35964 Esi- 724.2543 91150 (723.2456, 11403.61)(724.2496, 7460.68)(725.2508, 4687.88) 71.47 AS-1269574 0.78800005 FindByFormula 6 Esi- 353.0328 64774 (352.0287, 37151.37)(353.0287, 3956.61)(354.0302, 10108.1) 56.42 Ascorbate 2-sulfate 1.2046667 FindByFormula 9 Esi- C02812 511.9729 65843 (254.9804, 49524.09)(255.9784, 5330.22) 53.14 Ascorbyl stearate 15.4498005 FindByFormula 15 HMDB38242 Esi- 488.2978 92968 (487.2913, 33362.78)(488.2937, 10322.42)(489.293, 5727.37) 75.15 Asn Asn His 18.058804 FindByFormula 25 Esi- 383.1597 23636 (382.1481, 34907.96)(383.1523, 11641.01)(384.152, 3128.31) 74.05 Asn Asp Cys 1.514 FindByFormula 9 Esi- 350.0914 21990 (699.175, 788.93)(349.0824, 53182.71)(350.0803, 12652.14)(351.0806, 3773.17) 74.4 Asn Asp Cys Esi-1.274 1.274 FindByFormula 5 Esi- 350.09 21990 (349.0817, 56762.34)(350.0791, 11708.2)(351.079, 5142.89) 74.81 Asn Leu Tyr 14.477 FindByFormula 10 Esi- 454.2068 20893 (453.1991, 14997.51)(454.1998, 4237.01)(455.2041, 768.06) 91.65 Asn Trp Gln 16.036062 FindByFormula 32 Esi- 446.1893 23401 (445.1816, 18041.06)(446.185, 6946.44)(447.1887, 3893.54) 62.93 Asn-Trp-OH 2.156 FindByFormula 10 Esi- 426.1204 65027 (212.0532, 10759.81)(212.5488, 45.26)(213.0492, 1004.68) 51.36 Asp Asn Asn 13.779335 FindByFormula 36 Esi- 407.1292 20201 (813.2297, 8932.99)(814.2239, 5557.87)(815.2174, 3560.65)(406.1182, 25544.32)(407.1217, 8511.04)(408.1234, 2957.28) 52.7 Asp Asn Asn Esi-13.780001 13.780001 FindByFormula 10 Esi- 407.1229 20201 (813.2356, 9812.81)(814.2321, 5387.68)(406.1198, 19245.57)(407.1242, 6763.36)(408.1228, 1922.14) 64.59 Asp Glu Ala 13.782 FindByFormula 10 Esi- 379.1252 17056 (378.1165, 7402.7)(379.1158, 2584.69)(380.1235, 519.01) 65.02 Asp Glu Glu 14.474001 FindByFormula 5 Esi- 437.1279 18340 (436.1203, 4643.75)(437.1247, 1266.87)(438.1194, 2188.58)(439.1339, 563.28) 56.65 Asp Phe Trp 21.144 FindByFormula 3 Esi- 512.188 23550 (511.1813, 5197.6)(512.1829, 1918.06) 57.48 Asp Tyr Cys 20.366005 FindByFormula 36 Esi- 445.1136 22293 (444.1067, 3024.22)(445.1101, 1006.58)(446.1046, 2952.74)(447.1056, 811.27)(448.0991, 1038.69) 43.51 Asp Tyr Gln Esi-19.117998 19.117998 FindByFormula 8 Esi- 424.1513 15869 (423.1508, 36509.39)(424.1535, 11990.55)(425.1552, 3699.92) 77.57 Asp Tyr Gln 19.11392 FindByFormula 26 Esi- 424.1603 15869 (423.1534, 509797.78)(424.1595, 96458.23)(425.1603, 28775.72) 83.06 Asp Val Lys 19.285 FindByFormula 4 Esi- 360.1979 16351 (359.1947, 58766.05)(360.1977, 13455.06)(361.1994, 6567.27) 81.93 Asparagoside B 17.376001 FindByFormula 10 HMDB29315 Esi- 596.4004 86181 (595.39, 48919.93)(596.3929, 12711.96)(597.3947, 2812.56) 62.12 Asparenomycin A 12.413149 FindByFormula 26 Esi- C17400 340.0699 71665 (339.0628, 5738.91)(340.0707, 2167.18)(341.0653, 455.57) 55.51 Aspecioside Esi-24.107 24.107 FindByFormula 6 Esi- C08850 596.283 67225 (595.2757, 36706.52)(596.2813, 12107.72) 72.44 Aspecioside 23.69973 FindByFormula 36 Esi- C08850 596.2819 67225 (1191.5504, 565.93)(1192.5988, 322.62)(595.2768, 38614.61)(596.2809, 13365.66)(597.2954, 5530.75)(598.2846, 480.8) 75.18 Asp-His-OH 23.827997 FindByFormula 31 Esi- 378.0834 65218 (377.0741, 33764.91)(378.0737, 8845.27)(379.0718, 2060.72) 73.98 Asp-HoPhe-OH 9.91383 FindByFormula 36 Esi- 402.1058 65358 (200.0397, 320.4)(401.0978, 49541.43)(402.1003, 13149.54)(403.1064, 2975.62) 89.49 Asp-Met-OH 0.65572226 FindByFormula 36 Esi- 418.0651 65198 (417.061, 141487.28)(418.063, 20470.99)(419.0582, 6327.92) 92.71 Asp-Tyr-OH 0.9313332 FindByFormula 15 Esi- 404.0879 65178 (201.0377, 67577.14)(201.538, 275.49)(202.0351, 8215.13)(403.0791, 4776.8) 41.96 Assamsaponin B Esi-14.01 14.01 FindByFormula 10 HMDB35429 Esi- 1272.5674 90717 (1271.5695, 6040.82)(1272.5673, 5213.67)(1273.5602, 4192.51) 37.66 Assamsaponin B 14.207332 FindByFormula 30 HMDB35429 Esi- 1272.5906 90717 (1271.578, 6571.68)(1272.582, 5725.37)(1273.5813, 5532.08)(1274.5865, 7030.74)(1275.5856, 5563.7)(1276.5898, 4904.7)(1277.5966, 4661.96)(1278.592, 5221.46)(1279.5863, 4286.93)(1280.5938, 3442.73)(1281.6089, 8532.05)(1282.6118, 5554.83)(1283.6115, 8981.12)(1284.6223, 14042.83)(1285.6235, 11229.51)(1286.6227, 5905.96)(1287.6212, 6408.5)(1288.6019, 4924.28) 53.43 Asterlingulatoside D 14.853947 FindByFormula 36 HMDB31356 Esi- 1176.5917 87609 (1175.5834, 11479.26)(1176.5836, 9608.92)(1177.5854, 8363.94)(1178.5854, 13036.94)(1179.5876, 8075.94)(1180.5878, 5235.57)(1181.5927, 2478.32) 43.48 Asterlingulatoside D Esi-14.568447 14.568447 FindByFormula 36 HMDB31356 Esi- 1176.5945 87609 (1175.584, 9847.77)(1176.585, 7978.49)(1177.5865, 7932.87)(1178.591, 11071.48)(1179.589, 7670.15)(1180.5911, 5626.3) 55.64 Asterlingulatoside D Esi-14.979998 14.979998 FindByFormula 10 HMDB31356 Esi- 2353.186 87609 (1175.586, 11537.2)(1176.5865, 10425.3) 57.05 Asukamycin 9.354 FindByFormula 8 Esi- C12099 606.2595 69305 (605.2533, 4437.68)(606.2542, 2065.86)(607.2608, 825.23) 72.68 Athidathion 3.2599995 FindByFormula 30 Esi- C18964 390.0133 72723 (779.0205, 1809.34)(780.0081, 603.35)(781.0361, 1734.83)(389.0047, 20032.21)(390.005, 3513.93)(391.0052, 6265.0)(391.9987, 3780.46)(393.004, 1528.62) 51.55 Atorvastatin 0.8525 FindByFormula 8 HMDB05006 Esi- C06834 558.257 1136 (278.119, 11031.42)(278.6246, 292.96) 57.86 Atorvastatin Metabolite(meta) 10.547 FindByFormula 4 Esi- 542.2599 1151 (541.2522, 22393.79)(542.2544, 7696.41) 74.14 Austalide I 19.369 FindByFormula 1 HMDB30155 Esi- 486.2272 86761 (485.2207, 6232.6)(486.2186, 2304.46)(487.2093, 386.1) 74.03 Austalide K Esi-21.41584 21.41584 FindByFormula 25 HMDB30157 Esi- 412.2258 86763 (411.2205, 11156.02)(412.2234, 4913.68)(413.2252, 1276.7) 63.98 Austalide K Esi-23.763 23.763 FindByFormula 10 HMDB30157 Esi- 412.2255 86763 (411.218, 4982.52)(412.2213, 1908.08)(413.22, 937.42) 72.04 Austalide K 15.208032 FindByFormula 36 HMDB30157 Esi- 412.2314 86763 (411.2204, 186949.56)(412.2248, 45361.76)(413.2262, 9035.41)(414.2307, 1757.89) 79.61 Austalide K Esi-15.217778 15.217778 FindByFormula 18 HMDB30157 Esi- 412.2318 86763 (411.2202, 92337.09)(412.2232, 26761.22)(413.226, 5538.64) 86.34 Avadharidine Esi-15.600999 15.600999 FindByFormula 7 Esi- C08661 685.0222 67096 (684.3484, 21091.96)(685.3515, 8567.82)(686.0036, 188.05) 53.19 Avadharidine 15.612171 FindByFormula 24 Esi- C08661 685.3667 67096 (684.3555, 28159.82)(685.357, 11225.73)(686.3562, 3700.03) 69.85 Avermectin A2a aglycone 14.833002 FindByFormula 10 Esi- C11972 616.3616 63696 (615.3512, 41496.11)(616.3546, 11114.08)(617.3559, 2478.75) 75.56 Avocadene acetate Esi-18.514 18.514 FindByFormula 1 Esi- 328.2608 43512 (327.2539, 39534.16)(328.2572, 8838.07)(329.2495, 8066.61) 55.58 Avocadene acetate 18.520937 FindByFormula 30 Esi- 328.2595 43512 (327.2535, 49351.26)(328.2562, 11431.97)(329.2508, 7501.71) 60.7 Avocadene acetate Esi-19.501625 19.501625 FindByFormula 16 Esi- 328.2608 43512 (327.2544, 59398.46)(328.2577, 13288.74)(329.2584, 2394.48) 98.75 Azaconazole 0.66437507 FindByFormula 16 Esi- C18701 359.0411 72479 (717.0811, 924.18)(358.0366, 17800.22)(359.0342, 2860.99) 47.88 Azafenidin 1.5304375 FindByFormula 16 Esi- C10895 383.0358 68665 (382.0356, 20586.44)(383.0315, 4053.3)(384.0329, 1361.73) 48.9 Azimsulfuron 20.358 FindByFormula 7 Esi- C18438 968.2473 72244 (483.1146, 18949.37)(484.1266, 10343.39) 43.79 Azimsulfuron Esi-20.36 20.36 FindByFormula 2 Esi- C18438 484.1233 72244 (483.1151, 13556.73)(484.124, 6531.8) 48.48 AzIV 13.770998 FindByFormula 10 HMDB34545 Esi- 1144.5707 90011 (1143.5594, 8913.06)(1144.5645, 7394.86)(1145.5659, 6897.84) 70.4 Azoxystrobin 15.277 FindByFormula 5 Esi- C18558 463.1472 72363 (462.1333, 6826.33)(463.1407, 2846.34) 30.34 Aztreonam 0.6409999 FindByFormula 10 Esi- C06840 435.0554 1230 (434.0474, 15198.64)(435.0343, 3892.19) 52.42 B-(4-Fluorobenzoyl)propionic acid 0.7659229 FindByFormula 26 Esi- 196.0558 1287 (195.0465, 1037586.3)(196.0632, 48930.27)(197.0584, 10327.43) 75.17 Bacampicillin 18.390781 FindByFormula 36 Esi- C08122 465.1552 612 (464.1479, 58114.27)(465.1496, 21996.97) 51.84 bacteriohopane-32,33,34,35-tetrol 19.371 FindByFormula 10 Esi- LMPR04000004 1184.9366 53864 (591.4629, 12218.29)(592.4655, 5314.16)(593.4781, 15942.69) 40.85 bacteriohopane-32,33,34,35-tetrol Esi-21.027 21.027 FindByFormula 1 Esi- LMPR04000004 592.4689 53864 (591.463, 18256.11)(592.4523, 7783.39)(593.4745, 13435.26)(594.48, 5219.79) 56.6 bacteriohopane-32,33-diol-34,35-dicarbamate 18.000948 FindByFormula 36 Esi- LMPR04000013 678.4769 53873 (1355.9341, 865.79)(1356.9427, 848.23)(1357.9325, 653.24)(677.4728, 32979.68)(678.4753, 16710.8)(679.4788, 5195.5)(680.4778, 1779.42) 86.61 Bacteriorubixanthinal 19.114 FindByFormula 9 Esi- LMPR01070145 596.4219 41400 (595.4143, 51128.23)(596.4149, 17215.31)(597.4134, 4340.57) 69.12 Balagyptin Esi-11.428 11.428 FindByFormula 6 HMDB41332 Esi- 880.4264 95741 (439.2063, 8225.74)(439.7236, 135.79)(440.2106, 2418.21) 60.39 Balagyptin 12.561999 FindByFormula 12 HMDB41332 Esi- 908.4571 95741 (453.2229, 20386.34)(453.7156, 308.97)(454.2258, 5508.77) 66.84 Balanitesin 14.228609 FindByFormula 36 HMDB32818 Esi- 1282.6115 88740 (640.2885, 11593.48)(1281.6177, 12711.17)(1282.6199, 8249.86)(1283.6139, 11131.71)(1284.6277, 16571.93)(1285.6268, 13186.45)(1286.6237, 7840.2)(1287.6166, 6452.71) 63.76 Baliospermin 16.561003 FindByFormula 10 Esi- C09065 562.3532 67398 (1123.6956, 2037.13)(561.3428, 31540.92)(562.3446, 6986.23)(563.3433, 1793.87) 75.96 Baptifoline 12.805826 FindByFormula 23 Esi- C10755 306.1606 68552 (305.1525, 16167.14)(306.1531, 2474.36)(307.1514, 1668.29) 65.19 Barbituric acid, 5-ethyl-5-(2-hydroxyethyl)- 0.65667856 FindByFormula 28 Esi- 200.0817 493 (199.0747, 47964.38)(200.0771, 4646.73) 68 Basellasaponin B 18.39713 FindByFormula 16 HMDB39400 Esi- 968.4295 93976 (483.2073, 10823.79)(483.6998, 164.62)(484.2107, 3114.37)(967.4008, 861.1) 59.03 Batrachotoxin 12.777 FindByFormula 7 Esi- C13750 1196.6547 69681 (597.3214, 17245.81)(598.3234, 6209.48) 60.17 bayogenin 11.386001 FindByFormula 6 Esi- LMPR0106150007 488.3468 53775 (243.1664, 19069.82)(243.6706, 259.2)(244.1692, 3436.96) 56.33 BAY-u3405 1.127 FindByFormula 5 Esi- 536.1479 45388 (267.0739, 16468.12)(267.5742, 384.54)(268.0749, 3273.61) 70.71 b-D-Glucopyranosiduronic acid, 3-(6-methoxy-2-naphthalenyl)-1-methylpropyl 4.7700005 FindByFormula 20 Esi- 406.1607 1374 (405.1562, 5187.85)(406.1581, 1348.65)(407.1617, 364.47) 94.57 Beiwutine Esi-14.055 14.055 FindByFormula 10 Esi- C08663 647.2999 67098 (1293.5356, 3430.91)(1294.5348, 3757.91)(646.2863, 39648.57)(647.2855, 15493.45)(648.2863, 34740.34) 42.56 Beiwutine Esi-13.659631 13.659631 FindByFormula 19 Esi- C08663 693.3099 67098 (692.2972, 20317.83)(693.2933, 5380.55)(694.284, 2876.77) 59.9 Beiwutine Esi-15.477 15.477 FindByFormula 27 Esi- C08663 693.3014 67098 (1385.5677, 1554.46)(1387.5759, 996.66)(1392.5983, 2541.22)(1393.6129, 2583.42)(1394.6257, 1917.4)(692.2956, 45210.31)(693.2989, 18224.32)(694.2942, 20069.91)(695.2962, 6806.94)(696.306, 39448.03)(697.31, 16739.04)(698.3042, 5962.78)(699.3096, 3810.5) 61.15 Beiwutine Esi-14.034541 14.034541 FindByFormula 35 Esi- C08663 647.2969 67098 (1293.5623, 3285.83)(1294.5616, 3413.26)(646.2863, 39549.99)(647.2921, 15503.77)(648.2895, 44457.3) 63.21 Beiwutine 14.341945 FindByFormula 36 Esi- C08663 647.3022 67098 (646.2889, 38950.53)(647.2935, 14527.67)(648.2906, 69056.99) 66.42 Beiwutine Esi-14.235663 14.235663 FindByFormula 36 Esi- C08663 647.2983 67098 (1293.6257, 5984.55)(1295.6454, 481.04)(646.2883, 37231.34)(647.2933, 13049.04)(648.291, 72187.82) 67.06 Belladonnine 14.182964 FindByFormula 27 Esi- C10845 542.3184 68625 (541.3062, 29274.64)(542.3061, 12211.46)(543.3075, 3926.06) 73.84 Benazeprilat 14.719666 FindByFormula 21 Esi- 396.1698 1259 (395.1607, 1930.26)(396.1634, 998.87)(397.1697, 10672.6)(398.1712, 3944.17)(399.172, 1506.0) 60.74 Benfuresate 9.033 FindByFormula 9 Esi- C18452 316.0964 72258 (315.0899, 6216.98)(316.0929, 1250.47) 69.06 Benoxinate 8.612352 FindByFormula 17 Esi- 428.2503 3995 (213.1184, 25630.72)(213.6138, 265.48)(214.1221, 3465.95) 67.92 Benperidol 19.379429 FindByFormula 14 Esi- 427.1888 1284 (426.1815, 26655.29)(427.1839, 11197.64)(428.1845, 3829.18) 60.82 Bensultap 23.714252 FindByFormula 16 Esi- C18563 491.0578 72368 (981.1317, 337.02)(490.0477, 12102.86)(491.0509, 3267.91)(492.0466, 2602.22) 88.47 Benzanthrone Esi-1.2634615 1.2634615 FindByFormula 26 Esi- 230.0731 44054 (229.0676, 671261.7)(230.0737, 35403.57) 47.6 Benzanthrone 1.523333 FindByFormula 36 Esi- 230.0765 44054 (459.1311, 2119.56)(460.1314, 726.58)(461.1279, 855.04)(229.0689, 52431.73)(230.0702, 6426.13)(231.0706, 196.07) 61.36 Benzanthrone Esi-3.2669997 3.2669997 FindByFormula 25 Esi- 230.0709 44054 (459.1279, 95.66)(461.0598, 3295.43)(464.0664, 598.56)(466.0561, 559.02)(229.0682, 13685.69)(230.0718, 2105.29) 65.95 Benzenepropanenitrile 8.437 FindByFormula 4 HMDB34236 Esi- 131.0748 89793 (130.0681, 17376.72)(131.0711, 2833.76) 60.75 Benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)-benzoate 16.887 FindByFormula 3 Esi- 663.37 4034 (662.3728, 6653.34)(663.374, 2959.26)(664.3937, 2548.55) 59.92 Benzotrichloride Esi-1.2819998 1.2819998 FindByFormula 10 Esi- C19166 193.9472 72901 (192.9355, 18758.76)(193.9412, 2568.64)(194.9331, 6772.3) 40.86 Benzotrichloride Esi-1.3895001 1.3895001 FindByFormula 18 Esi- C19166 193.9448 72901 (192.937, 17673.81)(193.9431, 2643.43)(194.9348, 6689.69) 58.99 Benzotrichloride 1.469 FindByFormula 10 Esi- C19166 193.9453 72901 (192.9375, 17107.96)(193.9432, 1808.63)(194.9352, 6347.7) 62.9 Benzyl beta-primeveroside 17.963387 FindByFormula 13 HMDB41190 Esi- 402.1646 95612 (803.3135, 7341.33)(804.3135, 5647.15)(401.1493, 12706.94)(402.1513, 3549.38)(403.1524, 4858.91)(404.1541, 1509.01)(405.1459, 821.03) 52.67 Benzyl sulfate 6.855999 FindByFormula 36 HMDB34782 Esi- 188.0169 90204 (187.0082, 994496.9)(188.0146, 44730.9)(189.0097, 26671.86) 79.05 Bestatin 19.119001 FindByFormula 6 Esi- C00732 354.1731 63060 (353.1715, 219766.52)(354.1771, 35152.36) 77.97 beta-Zearalanol 13.342668 FindByFormula 6 Esi- C14753 322.172 70307 (321.1738, 18912.95)(322.1774, 4417.19)(323.1827, 1350.14) 67.15 BIBB 515 19.3524 FindByFormula 10 Esi- 440.1511 45272 (439.1428, 21325.76)(440.1461, 9111.66)(441.1421, 9115.09)(442.1443, 3272.15)(443.1378, 969.7) 86.35 BIBF 1120 13.154 FindByFormula 9 Esi- 1170.5112 96478 (584.2476, 10523.83)(585.2515, 4611.1)(586.2498, 2608.51) 49.8 BIBF 1120 Esi-13.157214 13.157214 FindByFormula 23 Esi- 585.2558 96478 (584.2489, 10920.46)(585.2491, 4881.12)(586.2494, 676.6) 64.51 Bicuculline (+) 4.06893 FindByFormula 29 Esi- C09372 367.1057 44019 (366.0992, 6252.4)(367.1028, 1302.83)(368.0729, 74.86) 82.32 Bifemelane (M5) Esi-8.8342 8.8342 FindByFormula 15 Esi- 572.2421 1337 (285.1139, 8703.26)(286.1167, 1679.87) 84.07 Bifemelane (M5) Esi-8.831946 8.831946 FindByFormula 19 Esi- 286.1211 1337 (285.1138, 7059.16)(286.119, 1176.0)(287.1011, 254.28) 85.11 Bifemelane (M5) 9.303461 FindByFormula 26 Esi- 286.1209 1337 (285.114, 6895.43)(286.1168, 1027.9)(287.1187, 179.66) 94.23 Bilirubin-glucuronoside 16.927 FindByFormula 10 Esi- C03374 806.3019 65968 (805.2956, 12836.6)(806.2984, 14658.69)(807.295, 5734.62) 65.4 Biocytin 19.242002 FindByFormula 6 Esi- C05552 432.2077 3509 (431.1977, 90583.84)(432.2005, 36119.48) 59.43 Biotin-X-NHS 18.921 FindByFormula 7 Esi- 454.1943 64814 (453.1803, 12597.96)(454.1838, 3973.93)(455.1782, 5924.13)(456.1813, 3624.8)(457.1791, 1175.67) 62.34 Bisacodyl diphenol glucuronide 0.98 FindByFormula 8 Esi- 425.1507 1351 (424.1396, 7564.18)(425.1414, 2415.97) 71.12 Bis-gamma-glutamylcysteinylbis-beta-alanine 14.066999 FindByFormula 10 HMDB29413 Esi- 686.1961 86251 (685.1858, 6499.1)(686.1888, 5225.89)(687.187, 2485.22) 47.06 Bisindolylmaleimide I 19.317 FindByFormula 9 Esi- C11238 412.1906 45523 (411.1843, 11744.69)(412.1847, 3621.13)(413.1786, 994.55) 81.22 Bisindolylmaleimide IV Esi-9.834455 9.834455 FindByFormula 11 Esi- 327.1012 45524 (326.0942, 11753.1)(327.0996, 2640.18)(328.0863, 268.09) 88.07 Bisindolylmaleimide IV 8.850999 FindByFormula 10 Esi- 327.1012 45524 (326.094, 32878.78)(327.0967, 5719.07)(328.0969, 1506.34) 90.78 Bismurrayafoline E 23.787 FindByFormula 10 HMDB37741 Esi- 844.4645 92564 (421.2266, 24170.82)(421.7298, 100.12)(422.2287, 6251.86) 69.49 Bismurrayafoline E Esi-15.327252 15.327252 FindByFormula 16 HMDB37741 Esi- 724.422 92564 (1447.8661, 746.33)(1448.8011, 145.54)(1449.8007, 320.74)(1453.8269, 657.78)(1454.8115, 408.84)(723.4145, 18031.37)(724.4195, 9806.13)(725.4219, 4476.89) 83.22 Bispyribac 0.7772307 FindByFormula 13 Esi- C10915 430.1115 68684 (214.0489, 42873.24)(214.5602, 7628.17)(429.0989, 3339.47) 54.8 Bispyribac Esi-1.513 1.513 FindByFormula 6 Esi- C10915 476.1158 68684 (475.1092, 13608.53)(476.1032, 3110.56)(477.121, 699.8) 70.65 BIX01294 15.563127 FindByFormula 23 Esi- 536.3042 45462 (535.3006, 15658.77)(536.3036, 5736.91)(537.3051, 811.35) 79.79 Bluensidine 10.776477 FindByFormula 19 Esi- C17967 310.1091 71963 (309.1028, 6848.2)(310.1122, 2179.89)(311.1133, 1725.56) 53.44 Bluensidine 6-phosphate 1.5127144 FindByFormula 14 Esi- C17572 464.1096 71783 (231.0491, 80036.2)(231.545, 609.38)(232.0542, 10699.46) 53.91 Bluensomycin 13.796644 FindByFormula 14 Esi- C17573 631.2618 71784 (1261.5027, 2581.63)(1262.4854, 2763.77)(630.2513, 12827.36)(631.2535, 5707.29)(632.2592, 1672.91) 56.75 Blumenol C O-[rhamnosyl-(1-6)-glucoside] 15.400001 FindByFormula 9 HMDB31935 Esi- 578.2906 88048 (577.2855, 5891.72)(578.2898, 3324.26)(579.2985, 788.1) 65.44 BM 567 18.024 FindByFormula 20 Esi- 458.182 45387 (457.1759, 17351.51)(458.1778, 5103.58)(459.1705, 1766.12) 82.97 Boc-Phe(NMe)-Gly-OMe 10.499 FindByFormula 2 Esi- 396.1859 65476 (395.1818, 6075.48)(396.1843, 2102.48) 64.34 Bopindolol 15.22397 FindByFormula 33 HMDB15696 Esi- 380.2199 85591 (379.2045, 38024.75)(380.2072, 10049.04)(381.201, 14391.46)(382.2057, 4027.21) 59.82 Borrelidin 14.904001 FindByFormula 10 Esi- C15687 535.3118 71022 (534.3046, 13507.36)(535.3055, 2639.06) 48 Botrydial Esi-14.114 14.114 FindByFormula 5 Esi- C09622 LMPR0103640001 310.1783 53517 (309.1716, 60542.9)(310.1744, 10948.97)(311.1715, 19962.67) 61.47 Botrydial 14.114975 FindByFormula 36 Esi- C09622 LMPR0103640001 310.181 53517 (309.1679, 121218.91)(310.171, 22356.99)(311.1715, 7833.86) 71.58 Brianthein X 17.999 FindByFormula 6 Esi- LMPR0104230002 544.1731 53666 (543.1665, 15233.55)(544.1695, 4813.75)(545.1619, 7301.49)(546.1595, 3028.93) 83.75 BRL 32872 Esi-13.780859 13.780859 FindByFormula 14 Esi- C13851 583.2696 69732 (582.2491, 57150.95)(583.2521, 19348.85)(584.2505, 27967.12) 58.72 BRL 32872 13.982091 FindByFormula 33 Esi- C13851 583.2492 69732 (582.246, 99378.86)(583.249, 33188.73)(584.2452, 43193.66) 60.65 Bromhexine 0.9454784 FindByFormula 23 Esi- 374.0021 44332 (185.9916, 45067.93)(186.49, 480.77)(372.9835, 4521.5) 52.25 Bromocriptine 14.0779295 FindByFormula 14 Esi- C06856 699.2373 1380 (1397.5063, 2436.82)(1398.5033, 2605.94)(698.2208, 13364.21)(699.2208, 6915.44) 55.34 Bromoenol lactone 3.2855 FindByFormula 20 Esi- 316.009 63068 (631.029, 5342.35)(314.9999, 17546.71)(316.0083, 5481.11)(317.0035, 2213.38) 49.82 Brompheniramine (monodemethylated) Esi-0.844 0.844 FindByFormula 2 Esi- 304.0584 1384 (303.0505, 20065.43)(304.0453, 1821.33)(305.0489, 6543.66) 61.73 Brompheniramine (monodemethylated) 1.145 FindByFormula 5 Esi- 304.0584 1384 (303.0512, 20108.91)(304.0528, 3442.73)(305.0478, 7968.4) 66.81 Bucladesine 6.0837727 FindByFormula 22 Esi- D01238 529.1561 44324 (528.1493, 40913.32)(529.1521, 11628.23)(530.1544, 2933.61) 94.57 Budesonide 4.9119997 FindByFormula 10 Esi- C06858 430.2323 1389 (214.11, 8030.52)(214.6077, 208.17)(215.1141, 1245.49) 66.85 Bufotalin 18.688 FindByFormula 5 Esi- C16923 444.2508 71435 (443.2414, 3995.8)(444.2496, 1781.38) 52.84 Buserelin 7.2484984 FindByFormula 20 Esi- 1284.6713 1448 (1283.6598, 6721.67)(1284.6632, 4600.99)(1285.6569, 5538.72)(1286.6539, 3514.69)(1287.6556, 1549.75)(1288.6589, 845.14) 66.2 Butanoic acid, 3-bromo-, (S)-; (S)-(+)-3-Bromobutanoic acid; (S)-(+)-3-Bromobutyric acid 0.9150001 FindByFormula 9 Esi- LMFA01090028 165.9595 74839 (164.9529, 14600.81)(165.9551, 579.44) 30.34 butoxyacetic acid 4.975779 FindByFormula 36 HMDB41844 Esi- 132.0808 96156 (131.074, 25413.82)(132.0778, 2104.25)(133.0784, 324.67) 69.81 Butyl 3-O-beta-D-glucopyranosyl-butanoate 11.527625 FindByFormula 16 Esi- LMFA13010043 322.162 98328 (321.1548, 22788.29)(322.1582, 4393.27)(323.1575, 1366.06) 91.55 Butyl 3-O-caffeoylquinate 6.649001 FindByFormula 10 HMDB34588 Esi- 410.1572 90051 (204.0718, 105081.21)(204.5769, 196.5)(205.0744, 15150.84)(409.1515, 936.88) 70.94 Butyl ethyl malonate 7.3420005 FindByFormula 20 HMDB36233 Esi- 188.1074 91378 (187.1005, 50212.52)(188.1026, 5242.52)(189.1002, 1606.83) 68.01 Butyl oleate sulfate 7.070501 FindByFormula 20 HMDB37511 Esi- 434.2716 92383 (216.129, 28493.74)(216.6266, 244.1)(217.1319, 4027.16) 50.56 BW 723C86 Esi-5.992 5.992 FindByFormula 2 Esi- 332.116 64854 (331.1099, 8349.9)(332.1139, 1613.52) 60.8 BW 723C86 1.814 FindByFormula 6 Esi- 332.1207 64854 (331.1123, 6876.71)(332.1136, 1577.18)(333.1151, 716.28) 87.98 C14:1n-9 16.572 FindByFormula 9 HMDB00521 Esi- LMFA01030248 226.1905 73923 (225.1861, 4568.84)(226.1882, 885.12) 80.41 C20:4n-2,6,9,12 18.492 FindByFormula 5 Esi- LMFA01030395 304.2388 74062 (303.2341, 14431.86)(304.2372, 3294.73) 81.27 C22 Sulfatide 13.520002 FindByFormula 10 Esi- LMSP06020009 909.6284 41627 (908.6178, 17961.02)(909.6213, 10169.69)(910.6259, 3968.25) 72.67 C22-OH Sulfatide 14.777001 FindByFormula 9 Esi- LMSP06020011 879.61 41629 (878.6046, 134239.55)(879.6077, 79048.11)(880.6095, 28236.63)(881.6092, 7294.31) 94.25 C-6 Ceramide 20.204102 FindByFormula 19 Esi- 397.3558 63012 (396.3479, 3144.05)(397.3513, 1293.2)(398.3587, 123.82) 79.3 C-6 NBD Ceramide Esi-16.093637 16.093637 FindByFormula 11 Esi- 621.3766 63013 (620.37, 122401.53)(621.3731, 42985.06) 58.22 C-6 NBD Ceramide 16.0655 FindByFormula 36 Esi- 621.3752 63013 (620.37, 122401.53)(621.3731, 42985.06)(622.3544, 37690.39) 59.2 Cafenstrole 11.944113 FindByFormula 35 Esi- C18497 350.1408 72303 (349.1335, 7624.4)(350.1358, 1767.0)(351.1309, 669.29) 94.06 Caffeoyl aspartic acid 4.2259994 FindByFormula 10 HMDB29294 Esi- 295.0721 86165 (294.0647, 7293.73)(295.0709, 1133.54)(296.0661, 205.35) 67.9 Caffeoyl aspartic acid Esi-7.343 7.343 FindByFormula 9 HMDB29294 Esi- 295.0689 86165 (294.0626, 7241.83)(295.0676, 1438.87) 72.69 Calcimycin Esi-14.084 14.084 FindByFormula 4 Esi- C11309 569.2717 68980 (568.2628, 576290.1)(569.27, 109752.38)(570.2717, 26840.25) 57.48 Calcimycin 14.031059 FindByFormula 36 Esi- C11309 569.2703 68980 (1137.5009, 1617.3)(568.2628, 576290.1)(569.27, 109752.38)(570.2717, 26840.25)(571.281, 7188.6) 57.92 Calpeptin Esi-11.030671 11.030671 FindByFormula 30 Esi- C11256 422.2397 68942 (421.2317, 9729.14)(422.2343, 2967.12)(423.2419, 2113.67) 56.24 Calpeptin Esi-13.490726 13.490726 FindByFormula 36 Esi- C11256 422.2399 68942 (421.2331, 22311.36)(422.2349, 6337.56)(423.2381, 2223.16) 82.96 Calpeptin 9.204331 FindByFormula 36 Esi- C11256 362.218 68942 (361.2108, 29770.91)(362.2146, 7244.02)(363.2169, 1412.46) 84.83 Camelliasaponin C1 14.000626 FindByFormula 16 HMDB40752 Esi- 1204.5868 95217 (1203.5833, 18391.68)(1204.5841, 12827.72)(1205.5842, 7275.24) 77.63 Campesteryl ferulate 16.613 FindByFormula 4 HMDB36285 Esi- 668.4336 91430 (333.2092, 6382.12)(333.6919, 36.51)(334.2104, 1417.75) 52.84 Candesartan Cilextil 10.539 FindByFormula 3 Esi- C07709 610.2475 43872 (609.2425, 11066.95)(610.2435, 3813.69) 47.59 Cannabipiperidiethanone 7.3391247 FindByFormula 16 Esi- 376.2144 85073 (187.1012, 28468.48)(187.6011, 157.22)(188.1043, 3608.33) 62.6 Cappariloside B Esi-18.390999 18.390999 FindByFormula 36 HMDB34938 Esi- 496.1721 90317 (495.1643, 18317.59)(496.1668, 4980.86)(497.1625, 9212.1)(498.1707, 1798.04)(499.1706, 4171.3) 62.58 Cappariloside B 18.000887 FindByFormula 36 HMDB34938 Esi- 496.1666 90317 (495.1589, 55465.68)(496.1629, 22575.28)(497.1646, 7399.08) 63.84 Capsianoside II 13.977776 FindByFormula 18 HMDB31892 Esi- 1144.5548 88009 (1143.5405, 21893.81)(1144.5455, 16514.18)(1145.5454, 13715.35) 63.52 Capsicosin 14.337751 FindByFormula 16 HMDB31354 Esi- 1302.6042 87607 (1301.5955, 4295.54)(1302.598, 3168.68)(1303.5989, 6295.14)(1304.6128, 10627.28)(1305.6135, 9123.84)(1306.6138, 4775.3)(1307.5876, 2903.94)(1308.5732, 3466.8)(1309.5543, 1993.26)(1310.5603, 2627.21) 44.03 Carapanaubine 18.803 FindByFormula 2 Esi- C09106 428.1955 67432 (427.189, 14318.29)(428.1892, 4562.61) 68.77 Carbaprostacyclin-biotin 23.775497 FindByFormula 20 Esi- 720.452 45625 (1439.9343, 367.2)(719.4438, 8145.41)(720.4486, 3859.78)(721.4477, 1214.21) 87.4 Caribbean ciguatoxin 1 13.967001 FindByFormula 10 Esi- C20003 2281.2534 73488 (1139.6206, 6951.61)(1140.6228, 2156.14)(1141.6056, 15332.77)(1142.6055, 8830.54)(1143.618, 8229.11)(1145.1136, 967.59) 59.08 Carindacillin 18.227669 FindByFormula 12 Esi- C12712 540.155 69474 (539.1483, 12703.85)(540.1543, 5861.19)(541.1615, 2641.34) 63.82 Carmamycin A Esi-9.452 9.452 FindByFormula 9 Esi- 515.3035 65481 (514.2988, 81932.02)(515.3017, 27347.46)(516.3, 9681.76) 80.26 Carmamycin A Esi-9.157391 9.157391 FindByFormula 36 Esi- 515.3039 65481 (514.2984, 52325.6)(515.3012, 16877.2)(516.2989, 5455.87) 85.05 Carmamycin A Esi-11.415 11.415 FindByFormula 7 Esi- 515.3048 65481 (514.2976, 73731.9)(515.301, 24541.8)(516.2987, 9386.97)(517.2957, 2394.1) 90.59 Carmamycin A 10.805721 FindByFormula 36 Esi- 515.3062 65481 (514.2973, 168954.25)(515.3013, 47887.58)(516.3001, 16808.66)(517.2998, 4011.91) 91.04 Carmamycin B 13.417428 FindByFormula 35 Esi- 577.3079 65482 (576.3, 15970.36)(577.3039, 6537.3)(578.3013, 7242.83) 47.81 Carphenazine 11.428274 FindByFormula 11 HMDB15172 Esi- 457.2024 85460 (456.1961, 8298.47)(457.1993, 2242.57)(458.2001, 689.56) 96.56 Cartilagineal 5.452001 FindByFormula 36 Esi- C17102 297.9935 71561 (296.9873, 53875.54)(297.9893, 6666.79)(298.9862, 4894.18) 58.76 Cartormin 20.78191 FindByFormula 11 HMDB35209 Esi- 575.161 90527 (574.1536, 17876.24)(575.154, 7636.34)(576.1542, 3012.55) 48.45 Carvedilol 18.834248 FindByFormula 8 Esi- C06875 406.1919 1558 (405.1814, 332548.28)(406.1867, 78359.3)(407.1882, 22190.49) 91.72 Cascarillin 20.49 FindByFormula 8 Esi- C09071 816.4358 67403 (407.2098, 5917.9)(408.2137, 1899.66) 60.4 Casimiroin 1.8168883 FindByFormula 36 Esi- C10654 233.0651 68468 (232.0596, 131765.38)(233.0622, 18121.23)(234.0628, 2657.57) 84.02 Caspofungin 14.307336 FindByFormula 36 HMDB14661 Esi- 1152.6582 85395 (1151.6545, 312278.97)(1152.6606, 149445.5)(1153.6626, 60507.79)(1154.6606, 17595.62) 85.26 Cassiaside B2 1.525 FindByFormula 6 Esi- C17674 920.2814 71854 (459.1334, 7098.24)(459.6409, 128.07)(460.1348, 2874.82) 68.85 CAY10404 5.971843 FindByFormula 19 Esi- 367.0431 63043 (366.041, 10153.1)(367.0407, 2132.88)(368.0385, 3835.11)(369.0558, 1528.29) 62.3 CAY10441 18.393 FindByFormula 6 Esi- 355.1877 44898 (354.1828, 20377.37)(355.1847, 5641.17)(356.19, 2841.45) 78.93 CAY10448 5.888 FindByFormula 4 Esi- 479.1192 44911 (478.1102, 5239.91)(479.1115, 1365.31) 76.8 CAY10470 15.320002 FindByFormula 10 Esi- 404.1835 44946 (809.3832, 839.72)(810.3742, 585.5)(811.395, 474.4)(403.1781, 56085.49) 46.77 CAY10470 Esi-18.841997 18.841997 FindByFormula 6 Esi- 808.3682 44946 (403.1773, 15385.49)(404.178, 4269.04) 76.69 CAY10500 13.816 FindByFormula 1 Esi- 607.2661 44995 (606.2578, 155551.1)(607.2606, 49127.75)(608.2617, 21635.16) 82.97 CAY10575 9.914689 FindByFormula 26 Esi- 487.084 45318 (486.0774, 13381.84)(487.0794, 4026.93)(488.0849, 1712.27) 78.11 CAY10598 Esi-17.291996 17.291996 FindByFormula 21 Esi- 383.2284 45515 (382.228, 22029.31)(383.2285, 5539.11)(384.2399, 949.28) 73.58 CAY10598 Esi-17.807 17.807 FindByFormula 8 Esi- 383.2356 45515 (382.2279, 66894.96)(383.2298, 12777.76)(384.2335, 2030.03) 74.23 CAY10598 17.295336 FindByFormula 18 Esi- 383.2409 45515 (382.2253, 35465.28)(383.2283, 8382.14)(384.2318, 1334.12) 98.86 CAY10608 0.972 FindByFormula 9 Esi- 492.0943 45548 (491.0834, 3368.29)(492.093, 843.37)(493.0793, 2298.43)(494.0977, 514.17)(495.0829, 927.36) 55.85 CAY10608 Esi-1.5159999 1.5159999 FindByFormula 7 Esi- 492.0842 45548 (491.0807, 10408.41)(492.0835, 3232.49)(493.0728, 1590.0) 59.7 CAY10633 13.513499 FindByFormula 20 Esi- 635.2712 64757 (634.2611, 39788.28)(635.2663, 14341.06)(636.2621, 12598.04)(637.2782, 20193.9)(638.2796, 11630.46) 54.47 CB3717 18.396 FindByFormula 5 Esi- C11737 954.3377 69187 (476.1615, 9261.49)(476.6612, 120.35) 35.66 CDP-DG(18:0/22:3(10Z,13Z,16Z)) 14.029 FindByFormula 6 HMDB06984 Esi- 1105.594 58619 (1104.5867, 22330.23)(1105.5837, 13470.03)(1106.588, 5419.47) 60.21 Ceanothine E 23.546495 FindByFormula 20 HMDB29342 Esi- 568.3072 86203 (567.3006, 16673.63)(568.3044, 5495.16)(569.3024, 1805.75) 76.79 Cedrol 0.824 FindByFormula 1 Esi- C18688 284.0626 72467 (283.0603, 25837.87)(284.0554, 3258.44) 73.48 Ceftriaxone 0.6560001 FindByFormula 6 Esi- C06683 554.0478 1624 (553.0386, 60373.1)(554.0403, 9833.04)(555.0333, 2869.87) 76.32 Cephalexin Esi-6.09 6.09 FindByFormula 8 Esi- C06895 694.1854 1637 (346.0867, 6754.87)(347.0826, 1120.25) 63.07 Cephalexin 6.08926 FindByFormula 23 Esi- C06895 347.0943 1637 (346.087, 6547.83)(347.0893, 1382.16)(348.0824, 1155.59) 76.48 Cer(d15:1/24:0) Esi-23.756 23.756 FindByFormula 1 Esi- LMSP02010045 1307.1841 102948 (652.5847, 3313.56)(653.5904, 1417.52) 54.59 Cer(d15:1/24:0) 23.728317 FindByFormula 25 Esi- LMSP02010045 653.5928 102948 (652.5875, 8602.42)(653.5899, 4222.54)(654.5868, 1297.73) 81.71 Cer(d16:2(4E,6E)/18:0) 23.734997 FindByFormula 15 Esi- LMSP02010062 581.4959 102965 (580.4913, 8092.52)(581.4974, 1704.09)(582.5152, 1076.78) 58.03 Cer(d16:2(4E,6E)/20:0) 0.767 FindByFormula 4 Esi- LMSP02010063 655.5325 102966 (326.7604, 44297.99)(327.2584, 494.1) 42.26 Cer(d16:2(4E,6E)/20:1(11Z)) 23.738 FindByFormula 6 Esi- LMSP02010064 607.513 102967 (606.5055, 2989.24)(607.5096, 1443.73)(608.522, 388.78) 65.04 Cer(d18:0/16:0(2OH)) 24.30762 FindByFormula 26 Esi- LMSP02020029 601.5282 103008 (600.5212, 5653.22)(601.5243, 2415.19)(602.518, 435.77) 89.12 Cer(d18:0/16:0) 19.376833 FindByFormula 18 Esi- LMSP02020001 585.5333 41565 (584.5297, 7985.01)(585.527, 2228.26)(586.5301, 567.14) 66.12 Cer(d18:1/24:1(15Z)) Esi-23.768 23.768 FindByFormula 5 HMDB04953 Esi- LMSP02010009 693.6263 83709 (692.6196, 7984.67)(693.6218, 4332.99)(694.6274, 3096.85) 71.77 Cer(t20:0/20:0) 23.773436 FindByFormula 35 Esi- LMSP02030011 685.6195 103025 (684.6147, 26127.12)(685.6176, 12760.46)(686.6172, 3957.59) 92.78 Ceranib-2 19.121876 FindByFormula 16 Esi- 441.1537 96481 (440.147, 74640.83)(441.1493, 25647.86) 50.5 Ceranib-2 Esi-16.965996 16.965996 FindByFormula 36 Esi- 381.1367 96481 (380.13, 19197.3)(381.1338, 6335.41)(382.1328, 2017.6) 85.17 Cerberin 15.104588 FindByFormula 17 Esi- C19984 636.349 73471 (635.3449, 135032.5)(636.3458, 37371.51)(637.3452, 7107.9) 83.2 Cerberin Esi-11.905999 11.905999 FindByFormula 20 Esi- C19984 622.3351 73471 (621.3297, 19259.13)(622.3331, 6765.74)(623.3373, 2345.7) 90.61 CGP72383 14.614223 FindByFormula 36 HMDB13865 Esi- 571.2939 85289 (1141.582, 5559.69)(1142.568, 2278.83)(570.2797, 40428.54)(571.2832, 15493.04)(572.2844, 5082.56) 73.62 Chalcomycin 0.692 FindByFormula 10 Esi- C15678 760.3869 71013 (759.3827, 25112.45)(760.3789, 3606.67) 49.78 Chatenaytrienin 2 Esi-23.705 23.705 FindByFormula 10 HMDB32647 Esi- 558.4632 88588 (557.4556, 13653.57)(558.4579, 5465.89)(559.4699, 6124.99) 62.1 Chatenaytrienin 2 21.510498 FindByFormula 20 HMDB32647 Esi- 558.4662 88588 (557.4586, 22194.27)(558.4617, 9163.92)(559.4635, 2226.81) 96.48 Chivosazole D 5.713499 FindByFormula 36 Esi- C15731 837.4627 71062 (836.4563, 10330.62)(837.4574, 5320.15)(838.4548, 2675.06) 60.35 Chivosazole F 18.229002 FindByFormula 10 Esi- C15733 691.4019 71064 (690.4064, 65248.9)(691.409, 38383.25)(692.4111, 13398.01)(693.4128, 3732.82) 65.17 Chloraniformethan 0.757 FindByFormula 9 Esi- C18908 379.9028 72669 (378.8982, 8301.75)(379.8982, 1604.92)(380.8932, 4862.14) 59.28 Chlorhexidine 18.919003 FindByFormula 10 Esi- C06902 504.2042 1720 (503.197, 2970.74)(504.1993, 1133.16)(505.1908, 1387.44)(506.1957, 468.21) 70.91 Chloromarmin 17.316833 FindByFormula 24 HMDB41414 Esi- 350.1225 95812 (349.1198, 6516.04)(350.1208, 1973.82)(351.131, 2179.3) 65.9 Chloroneb 0.817 FindByFormula 9 Esi- C11252 251.9999 68938 (502.9909, 9065.42)(503.9969, 2981.7)(504.9901, 4819.89)(250.9885, 14713.02) 47.49 Chlorophacinone 6.0944543 FindByFormula 35 Esi- C18514 420.0735 72320 (419.0673, 27105.96)(420.0697, 5299.04)(421.0662, 1955.48) 60.67 cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside 20.858921 FindByFormula 26 Esi- LMST01010348 606.4149 83949 (605.4078, 12919.55)(606.4106, 5414.02)(607.4131, 1471.82) 92.11 cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside Esi-20.863995 20.863995 FindByFormula 30 Esi- LMST01010348 606.413 83949 (605.4054, 11229.06)(606.4084, 4691.68)(607.4118, 1366.93) 96.28 Cholestane-3,7,12,25-tetrol-3-glucuronide 17.39722 FindByFormula 36 Esi- LMST05010042 612.3952 57960 (611.3833, 29194.41)(612.3848, 11479.3)(613.3876, 3584.32) 83.85 cholesterol sulfate Esi-23.72 23.72 FindByFormula 10 HMDB00653 Esi- C18043 LMST05020016 466.3119 5625 (465.3048, 91981.1)(466.3077, 31201.03)(467.3022, 14130.99) 88.16 cholesterol sulfate 23.713154 FindByFormula 35 HMDB00653 Esi- C18043 LMST05020016 466.3123 5625 (931.6066, 1678.36)(932.6185, 1052.81)(933.6187, 995.26)(465.3048, 107001.91)(466.3079, 34376.45)(467.3038, 15769.37) 92.16 Cholic acid glucuronide Esi-14.197 14.197 FindByFormula 2 HMDB02577 Esi- C03033 LMST05010044 630.3286 57962 (629.3188, 407946.16)(630.326, 96434.25)(631.3285, 25610.44) 74.4 Cholic acid glucuronide Esi-14.196339 14.196339 FindByFormula 36 HMDB02577 Esi- C03033 LMST05010044 630.3258 57962 (629.3159, 570647.4)(630.3233, 126292.38)(631.3254, 33388.4) 74.59 Cholic acid glucuronide 14.187401 FindByFormula 10 HMDB02577 Esi- C03033 LMST05010044 630.3286 57962 (629.3174, 598772.1)(630.325, 132721.55)(631.3266, 34880.77) 76.3 Cholic acid glucuronide Esi-13.988553 13.988553 FindByFormula 36 HMDB02577 Esi- C03033 LMST05010044 630.328 57962 (629.3217, 71369.96)(630.3241, 28077.03)(631.327, 7115.15) 78.31 Chrysosplenol F 8.369 FindByFormula 6 Esi- LMPK12112525 360.0871 50940 (359.0781, 5794.25)(360.0806, 1071.72) 81.68 Ciglitazone 5.1948895 FindByFormula 36 Esi- 333.1404 43448 (332.1353, 9751.52)(333.132, 2767.27)(334.1331, 1264.96) 72.57 Cimetidine 0.94054544 FindByFormula 11 Esi- D00295 298.1259 1755 (297.1163, 6864.92)(298.1173, 1850.84)(299.1169, 1106.67) 53.28 Cinegalline 9.206221 FindByFormula 18 Esi- C10762 430.2085 68558 (429.2008, 8077.71)(430.2044, 2631.66)(431.1904, 350.51) 69.26 Cinnamic acid 1.79 FindByFormula 6 HMDB00567 Esi- C10438 148.0545 310 (147.0468, 24441.94)(148.0446, 1123.17) 61.01 Cinnavalininate 5.617 FindByFormula 6 HMDB04078 Esi- C05640 346.0459 58205 (345.039, 7190.55)(346.0315, 2143.83) 56.79 Cinnzeylanol 8.853 FindByFormula 6 HMDB36010 Esi- 384.2162 91189 (383.2091, 12054.96)(384.212, 3579.68)(385.2094, 4702.45)(386.2112, 1507.67) 63.46 Ciprofibrate 1.5136874 FindByFormula 16 Esi- 288.0328 387 (287.0272, 131144.1)(288.0304, 14401.13)(289.0229, 49600.77)(290.0288, 6229.13) 61.43 cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenyl 8.19 FindByFormula 6 Esi- C06585 282.0651 66441 (281.0601, 5605.02)(282.0683, 762.37)(283.0566, 1933.15) 72.53 cis-4-Hydroxyequol Esi-5.9713416 5.9713416 FindByFormula 35 HMDB41710 Esi- 258.0886 96068 (128.0359, 842.78)(257.0828, 85161.42)(258.0845, 9925.68)(259.0839, 2456.74) 87.24 cis-4-Hydroxyequol 6.4696674 FindByFormula 36 HMDB41710 Esi- 258.0872 96068 (128.0382, 929.45)(257.0821, 83387.3)(258.0846, 9592.04)(259.0853, 1921.33) 92.03 Citalopram aldehyde 5.1954994 FindByFormula 20 Esi- C16612 355.1221 71263 (354.1162, 4022.3)(355.1178, 1501.47) 58.18 Citalopram-N-Oxide 23.783998 FindByFormula 10 Esi- C16607 400.1784 1784 (799.3636, 1868.59)(399.1728, 5923.55)(400.1789, 1221.65) 74.42 Citbismine D 13.785002 FindByFormula 8 HMDB41437 Esi- 722.2554 95833 (721.2413, 17024.25)(722.2369, 18770.33) 39.86 Citiolone 8.345 FindByFormula 10 Esi- 219.0579 44336 (218.0504, 4708.76)(219.0574, 784.31)(220.0544, 234.02) 57.15 Citreovirenone 9.0268 FindByFormula 15 HMDB33515 Esi- 248.1078 89327 (247.1006, 9287.46)(248.1033, 1654.8) 59.28 CL(1'-[15:0/15:0],3'-[15:0/16:1(9Z)])[rac] 17.061 FindByFormula 2 Esi- LMGP12010004 1368.9275 40954 (1367.921, 18125.12)(1368.9231, 9070.8)(1369.9309, 4223.53) 76.13 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z)) 14.238001 FindByFormula 10 HMDB10297 Esi- 3033.9058 61623 (1515.9463, 6157.88)(1516.9508, 3376.91)(1517.9512, 1488.3) 53.98 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) Esi-14.614999 14.614999 FindByFormula 7 HMDB10307 Esi- 3166.0237 61633 (1582.005, 9404.96)(1582.9983, 5446.23) 51.56 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) 14.622001 FindByFormula 6 HMDB10307 Esi- 1583.013 61633 (1582.0048, 9971.43)(1582.9878, 6463.72)(1584.0125, 2494.38) 53.75 Clo?sone butyrate 18.455688 FindByFormula 16 Esi- 478.194 1868 (477.187, 12718.42)(478.19, 4044.16)(479.184, 4329.6)(480.1895, 1999.1)(481.1857, 1461.78) 78.96 Clofarabine 0.8249999 FindByFormula 9 Esi- 302.0513 85185 (603.0741, 1018.55)(302.0431, 9254.16)(303.0522, 9142.11) 49.85 Clomipramine 3.911 FindByFormula 6 Esi- C06918 314.1563 1879 (156.0705, 10570.9)(156.5751, 28.79)(157.0736, 1234.64) 56.45 Clovamide 0.79164696 FindByFormula 17 HMDB39157 Esi- 359.0984 93753 (358.0928, 85506.59)(359.0914, 18789.22)(360.0903, 6736.77) 69.3 Coelichelin Esi-13.951 13.951 FindByFormula 3 Esi- C15719 625.2934 71050 (624.2862, 37374.34)(625.2867, 12022.51) 69.78 Coelichelin 14.348 FindByFormula 4 Esi- C15719 625.2966 71050 (624.2881, 39408.96)(625.2911, 12284.85)(626.2919, 3964.07) 78.97 Coenzyme F430 14.389598 FindByFormula 20 Esi- C05777 905.2786 63969 (904.2848, 11761.56)(905.2788, 5666.18)(906.2934, 2014.98) 42.55 Cohibin B 16.065 FindByFormula 10 HMDB31169 Esi- 640.4855 87462 (319.2367, 84590.22)(319.7244, 243.13)(320.2397, 20324.74) 52.26 Cohibin B Esi-20.35612 20.35612 FindByFormula 36 HMDB31169 Esi- 594.4859 87462 (593.4784, 27897.77)(594.4819, 12188.43)(595.4908, 9313.73)(596.4963, 3614.92) 62.76 Cohibin B Esi-20.1962 20.1962 FindByFormula 25 HMDB31169 Esi- 594.4873 87462 (593.4789, 21238.49)(594.4813, 8698.52)(595.4912, 6311.45) 65.05 Congmunoside X Esi-14.336399 14.336399 FindByFormula 25 HMDB39414 Esi- 1312.6305 93988 (1311.6217, 9707.5)(1312.6244, 6734.53)(1313.6031, 4254.32)(1314.6172, 1732.46) 38.34 Congmunoside X 14.347998 FindByFormula 10 HMDB39414 Esi- 2621.2422 93988 (1311.622, 14838.47)(1312.6234, 10699.84) 57.5 Convicine 1.8263896 FindByFormula 36 Esi- C08430 305.0853 66969 (304.0781, 59660.89)(305.0802, 8282.67)(306.0787, 2583.48) 93.64 Coproporphyrinogen I 17.587002 FindByFormula 10 Esi- C05768 752.3119 63930 (375.155, 9491.31)(375.6425, 135.13)(376.1566, 2612.25) 53.88 Corchoionoside B 9.085503 FindByFormula 36 HMDB30975 Esi- 492.1846 87325 (245.0858, 23473.22)(245.5809, 158.3)(246.0888, 3837.92) 62.82 Corchorosol A 15.396422 FindByFormula 31 HMDB41137 Esi- 536.2985 95566 (535.2919, 23538.96)(536.295, 8795.8)(537.3058, 3612.02) 76.46 Cortisol 15.54 FindByFormula 7 Esi- C00735 LMST02030001 362.2144 272 (361.2025, 22848.61)(362.2054, 7281.15)(363.2029, 727.18) 86.51 cortisol 21-sulfate 0.807 FindByFormula 2 Esi- C02822 LMST05020020 442.165 57972 (220.0762, 11670.63)(220.575, 308.45) 57.68 Cortisone 14.066003 FindByFormula 15 HMDB02802 Esi- C00762 LMST02030090 360.1975 271 (359.1872, 344803.78)(360.1927, 50704.39)(361.1899, 17701.77) 78.04 Corynoline 15.210667 FindByFormula 6 Esi- 427.1622 73576 (426.1524, 23445.07)(427.1676, 9731.24) 54.32 CP 80633 11.857 FindByFormula 5 Esi- 724.3632 45482 (361.1766, 7186.26)(362.1739, 2033.66) 59.34 CPA(18:0) 18.370691 FindByFormula 26 Esi- LMGP00000055 420.2572 75588 (419.2544, 14101.06)(420.2593, 3210.85)(421.2497, 561.27) 79.2 Crimidine 5.472389 FindByFormula 36 Esi- C19138 217.0616 72879 (216.0559, 109849.63)(217.0579, 10199.45)(218.0583, 2319.48) 60.04 Crimidine Esi-5.6406093 5.6406093 FindByFormula 36 Esi- C19138 217.0613 72879 (216.0546, 83870.58)(217.0567, 7676.43)(218.058, 1519.85) 69.82 CUDA 10.248 FindByFormula 6 Esi- 460.3132 44975 (229.1504, 8041.8)(229.6416, 318.54)(230.1543, 1341.24) 61.52 Cuneatin Methyl Ether 6.4701138 FindByFormula 36 Esi- LMPK12050088 326.0784 43810 (325.0706, 13035.81)(326.0693, 2502.37)(327.0778, 722.82) 78.81 Curcumin diglucoside 14.608109 FindByFormula 35 Esi- C17750 752.2555 64200 (1504.5225, 775.8)(751.2506, 14431.14)(752.2468, 7037.7)(753.2503, 7145.46)(754.2496, 4992.62)(755.2659, 11317.43)(756.2631, 8380.08) 45.17 Curcumin diglucoside Esi-15.101372 15.101372 FindByFormula 24 Esi- C17750 752.2609 64200 (1503.5662, 874.16)(1504.5112, 386.86)(751.2504, 13304.58)(752.2485, 7118.23)(753.2507, 5819.54) 53.18 Cyanophos 14.898 FindByFormula 4 Esi- C18397 243.0112 72206 (120.5009, 203.13)(121.499, 242.28)(242.0055, 6617.97) 44.49 Cybutryne Esi-9.505 9.505 FindByFormula 16 Esi- C10927 313.1573 68695 (312.1508, 7077.81)(313.1521, 1476.16)(314.1278, 802.64) 56.64 Cybutryne 11.946813 FindByFormula 32 Esi- C10927 299.1406 68695 (298.1349, 8934.3)(299.1399, 1750.24)(300.1457, 225.99) 75.49 Cybutryne Esi-11.947 11.947 FindByFormula 10 Esi- C10927 299.1399 68695 (298.134, 9966.94)(299.1349, 2456.21)(300.1347, 752.09) 81.2 Cyclo-Ala-Pro diketopiperazine 0.65561116 FindByFormula 36 Esi- 214.098 86079 (213.0878, 426151.97)(214.093, 23412.11)(215.086, 401.56) 88.65 Cyclobuxine D Esi-19.101 19.101 FindByFormula 7 Esi- C10797 446.3484 68585 (445.3438, 28356.35)(446.3471, 9275.35) 79.62 Cyclobuxine D 15.873998 FindByFormula 18 Esi- C10797 432.3326 68585 (431.3282, 4916.78)(432.3301, 1670.28)(433.3402, 219.57) 92.15 Cyclocalopin D Esi-9.411 9.411 FindByFormula 3 HMDB39813 Esi- 636.2283 94362 (317.1058, 7300.97)(317.5962, 348.0)(318.1078, 1241.19) 57.28 Cyclocalopin D 18.232334 FindByFormula 15 HMDB39813 Esi- 576.2024 94362 (575.1967, 10734.65)(576.1982, 3466.77)(577.1949, 1308.28) 71.8 Cycloheximide Esi-14.100669 14.100669 FindByFormula 36 Esi- C06685 327.1681 44124 (326.1579, 87173.99)(327.1611, 15876.79)(328.1604, 2083.28) 74.6 Cycloheximide 14.099503 FindByFormula 20 Esi- C06685 327.1699 44124 (326.1597, 70750.21)(327.1625, 13459.0)(328.1643, 2584.45) 93.21 Cyclopassifloside II 24.110289 FindByFormula 36 HMDB38389 Esi- 728.4325 93096 (727.4237, 34982.86)(728.4265, 20658.87)(729.4291, 8797.03) 61.53 Cyclosporin A 23.679 FindByFormula 10 Esi- C05086 LMPK14000003 1201.8496 41059 (1200.8381, 3117.41)(1201.842, 2662.75)(1202.8453, 1797.53) 62.96 Cyclothiazide 5.973 FindByFormula 8 Esi- C12685 435.0355 69471 (434.0272, 6130.44)(435.0295, 1188.96)(436.0257, 2688.18) 75.31 Cyenopyrafen 12.420999 FindByFormula 8 Esi- C18545 786.4947 72350 (392.2342, 1166.79)(393.2377, 18022.29) 59.29 Cyflufenamid 3.2832568 FindByFormula 35 Esi- C18516 412.1224 72322 (411.1154, 44387.72)(412.1174, 9775.63)(413.1203, 3536.17) 86.48 Cyflufenamid Esi-3.2620006 3.2620006 FindByFormula 10 Esi- C18516 412.1211 72322 (411.1154, 44387.72)(412.1174, 9775.63)(413.1203, 3536.17) 86.48 Cyflumetofen 19.6365 FindByFormula 12 Esi- C18517 493.1733 72323 (492.1659, 7522.61)(493.1678, 2991.69)(494.1721, 858.51) 77.27 Cynarasaponin F Esi-9.563 9.563 FindByFormula 6 HMDB39561 Esi- 780.4288 94120 (389.2057, 4115.14)(389.7001, 110.79)(390.208, 1049.42) 50.27 Cynarasaponin F 18.212 FindByFormula 6 HMDB39561 Esi- 780.4217 94120 (779.4228, 8702.92)(780.4326, 4755.9)(781.4294, 2500.74) 65.84 Cynometrine 9.935999 FindByFormula 10 Esi- C10587 331.1528 68408 (330.1453, 7733.2)(331.1481, 1578.74)(332.1468, 811.88) 77.42 Cys Arg Phe 19.378 FindByFormula 9 Esi- 470.1948 21803 (469.1887, 7193.21)(470.1944, 2067.83)(471.1663, 2528.17) 35.35 Cys Asn Thr 0.78656244 FindByFormula 32 Esi- 382.1153 16150 (381.1101, 73264.89)(382.1063, 12789.51)(382.9906, 2115.88) 49.64 Cys Asn Thr Esi-0.79099995 0.79099995 FindByFormula 9 Esi- 382.1156 16150 (381.108, 21155.75)(382.1086, 3104.06)(383.11, 2760.77) 83.35 Cys Cys Thr 5.881866 FindByFormula 15 Esi- 371.0838 22641 (370.0762, 6578.73)(371.0832, 1504.97)(372.0766, 849.69) 61.48 Cys Lys Glu 17.603077 FindByFormula 26 Esi- 378.1596 23114 (377.152, 132072.89)(378.1543, 45751.91)(379.1562, 13842.52) 57.27 Cys Lys Glu Esi-17.469164 17.469164 FindByFormula 36 Esi- 378.1601 23114 (377.1518, 158723.66)(378.1547, 52431.57)(379.1558, 14579.63) 60.73 Cys Tyr Phe 18.836777 FindByFormula 9 Esi- 491.1711 23619 (490.1645, 7745.34)(491.168, 3744.88)(492.1754, 1189.1) 66.12 Cysteine-S-sulfate 1.509555 FindByFormula 36 HMDB00731 Esi- C05824 246.981 58010 (245.9756, 36299.05)(246.9678, 3040.05)(247.9748, 13677.41) 56.19 Cytochalasin Npho Esi-13.328263 13.328263 FindByFormula 19 HMDB35367 Esi- 553.3086 90665 (552.3004, 58186.51)(553.3033, 20910.99)(554.3006, 24117.18) 55.13 Cytochalasin Npho 13.511944 FindByFormula 36 HMDB35367 Esi- 553.3082 90665 (552.3, 136780.58)(553.3031, 46809.39)(554.3002, 56711.11) 57.87 Cytochalasin Npho Esi-13.509003 13.509003 FindByFormula 20 HMDB35367 Esi- 553.3076 90665 (552.3, 136780.58)(553.3031, 46809.39)(554.3002, 56711.11) 57.87 Cytochalasin Npho Esi-13.2610855 13.2610855 FindByFormula 36 HMDB35367 Esi- 553.307 90665 (552.3003, 13104.52)(553.3025, 5929.96)(554.3014, 6052.49)(555.3003, 2517.91) 60.69 Cytochalasin Npho Esi-13.511332 13.511332 FindByFormula 36 HMDB35367 Esi- 553.3106 90665 (552.2999, 16322.06)(553.3032, 7823.65)(554.3034, 8236.75)(555.3028, 3464.79) 61.55 Cytochalasin Npho Esi-16.313536 16.313536 FindByFormula 26 HMDB35367 Esi- 539.2951 90665 (538.2824, 76945.11)(539.2857, 22434.37) 72.86 Cytochalasin Npho Esi-16.317 16.317 FindByFormula 6 HMDB35367 Esi- 539.2941 90665 (538.2819, 45310.04)(539.2852, 12782.04) 74.43 Cytosine Esi-21.03491 21.03491 FindByFormula 11 HMDB00630 Esi- C00380 111.0429 283 (110.0354, 25095.69)(111.0396, 1848.48) 80.57 Cytosine 23.753395 FindByFormula 36 HMDB00630 Esi- C00380 111.0432 283 (110.0358, 50637.48)(111.0388, 2470.41)(112.0426, 92.94) 99.19 D(-)-?-hydroxy butyric acid 1.041 FindByFormula 2 HMDB00357 Esi- C01089 LMFA01050005 104.0484 125 (103.041, 94487.29)(104.0438, 5721.16)(105.0423, 907.43) 93.42 D-2-Aminobutyric acid 1.0030001 FindByFormula 10 HMDB00452 Esi- C02261 LMFA01100043 102.9765 12 (205.9475, 1801.04)(206.9389, 27234.94)(207.9417, 1289.26)(102.0552, 42387.19) 42.68 Dabigatran etexilate 14.845999 FindByFormula 10 HMDB15641 Esi- 627.3179 85565 (626.3104, 41710.92)(627.3104, 11260.53)(628.3199, 4065.45) 75.61 Dacthal 0.777923 FindByFormula 26 Esi- C14744 389.9236 44578 (388.9184, 55752.32)(389.9158, 6502.64)(390.9179, 14187.22) 43.87 Dalfopristin 19.127 FindByFormula 10 Esi- C08033 1472.6746 66786 (735.3296, 18490.89)(736.3322, 6110.34)(737.3331, 2133.8) 90.12 DAT(19:0/23:0(2Me[S],3OH[S],4Me[S],6Me[S])) 16.132002 FindByFormula 6 Esi- LMSL03000016 1108.7832 82444 (553.3854, 172179.25)(553.8748, 2602.9) 57.25 Daucic acid 0.75438446 FindByFormula 26 HMDB31665 Esi- 204.0284 87845 (203.0226, 47308.32)(204.0252, 1196.45)(205.0191, 16927.48)(206.0163, 1442.8) 60.7 Daucic acid Esi-0.783 0.783 FindByFormula 12 HMDB31665 Esi- 250.0286 87845 (499.0253, 13404.54)(500.0243, 2703.75)(249.0264, 16943.43)(250.0246, 3495.33)(251.0283, 355.13) 68.92 Daucic acid Esi-0.78700006 0.78700006 FindByFormula 9 HMDB31665 Esi- 250.024 87845 (499.0259, 12867.17)(500.025, 2534.76)(249.0264, 16943.43)(250.0246, 3495.33)(251.0283, 355.13) 68.92 D-Camphorsulfonate Esi-8.187 8.187 FindByFormula 9 Esi- D00612 584.1963 2955 (291.0906, 10853.94)(292.0967, 1729.87) 67.84 D-Camphorsulfonate Esi-8.185 8.185 FindByFormula 6 Esi- D00612 292.0994 2955 (291.0897, 9753.47)(292.0934, 1500.29)(293.0868, 371.75) 91.18 D-Camphorsulfonate 8.362 FindByFormula 10 Esi- D00612 292.1002 2955 (291.09, 9957.54)(292.0931, 1594.0)(293.0919, 599.29) 94.84 DCI 0.816 FindByFormula 2 Esi- C11772 293.0562 69209 (292.0519, 47075.73)(293.0496, 16438.55) 47.47 Deacetylcephalosporin C Esi-0.827 0.827 FindByFormula 2 Esi- C03112 433.1266 64542 (432.1085, 3560.4)(433.1156, 1873.76) 43.77 Deacetylcephalosporin C 0.95 FindByFormula 4 Esi- C03112 866.2282 64542 (432.11, 33199.83)(433.108, 9465.88) 55.34 Deacetyldiltiazem 15.612772 FindByFormula 26 HMDB02873 Esi- 418.1558 2271 (417.1488, 22743.3)(418.1518, 8538.59) 62.74 Deacetyldiltiazem Esi-6.6946545 6.6946545 FindByFormula 32 HMDB02873 Esi- 372.1481 2271 (185.0626, 264.46)(371.1417, 16775.07)(372.1426, 3557.37)(373.1532, 960.93) 78.34 Debromohymenialdisine 8.199999 FindByFormula 10 Esi- C19897 490.1854 73418 (244.0855, 11515.3)(245.0871, 1848.59) 77.26 Debromohymenialdisine Esi-8.199001 8.199001 FindByFormula 26 Esi- C19897 245.0925 73418 (244.0854, 10022.97)(245.0855, 1548.16)(246.085, 579.98) 79.76 Decoside 13.988001 FindByFormula 10 Esi- C08860 546.2837 67229 (545.2719, 38541.8)(546.2747, 8641.79) 49.73 Delphinine 15.589875 FindByFormula 8 Esi- C08677 599.31 67112 (598.2998, 29087.0)(599.3037, 10337.42)(600.3005, 9610.71) 51.03 delta-Carotene-1,2-epoxide 11.308999 FindByFormula 10 HMDB36926 Esi- 672.4752 91916 (335.2311, 72775.3)(335.7365, 242.77)(336.2342, 17830.48) 68.29 Demethyl-desacetyl-rifamycin S Esi-13.157564 13.157564 FindByFormula 34 Esi- C14724 639.27 63724 (638.261, 21953.6)(639.2654, 7292.79)(640.2634, 9207.26)(641.2584, 3336.14)(642.2676, 10269.94)(643.2781, 4528.29)(644.2819, 4729.1)(645.2925, 2609.37) 66.22 Demethyl-desacetyl-rifamycin S Esi-13.981002 13.981002 FindByFormula 15 Esi- C14724 685.2709 63724 (1369.5504, 2177.89)(1370.492, 1375.11)(684.2659, 60952.13)(685.2685, 29834.42)(686.269, 16215.72) 75.08 Demethyl-desacetyl-rifamycin S 14.194492 FindByFormula 36 Esi- C14724 685.2746 63724 (684.2674, 93111.68)(685.2694, 43813.93)(686.2702, 23410.68) 76.64 Demethylisoalangiside 18.227371 FindByFormula 16 Esi- C11814 491.1814 64417 (981.3668, 2538.14)(982.377, 1569.26)(983.3679, 2175.57)(984.379, 1101.48)(985.3755, 1544.06)(490.1744, 9536.65)(491.177, 4689.52)(492.172, 2735.6) 60.83 Demeton-S-methylsulphon 1.5489999 FindByFormula 6 Esi- C18979 308.0095 72738 (307.0057, 19347.42)(308.0172, 2174.81)(309.004, 4722.5) 60.04 Deoxyadenosine monophosphate 0.9829473 FindByFormula 19 HMDB00905 Esi- C00360 390.0724 3461 (390.0785, 2330.3)(391.0758, 1154.42)(392.1089, 457.23) 38.08 Deoxyadenosine monophosphate Esi-0.845 0.845 FindByFormula 1 HMDB00905 Esi- C00360 331.0728 3461 (330.062, 10485.93)(331.062, 5090.77)(332.0683, 2151.78) 63.09 Deoxycholic acid disulfate 18.389627 FindByFormula 24 HMDB00659 Esi- LMST05020027 552.2023 57978 (275.1041, 418.26)(551.1958, 7648.97)(552.1973, 2449.18)(553.198, 1022.82) 73.03 Deoxynojirimycin Tetrabenzyl Ether Esi-9.348715 9.348715 FindByFormula 7 Esi- 583.2922 45345 (582.2877, 12288.63)(583.2909, 4209.66)(584.2881, 1576.48) 83.2 Deoxynojirimycin Tetrabenzyl Ether 10.806461 FindByFormula 26 Esi- 583.292 45345 (582.2872, 27347.49)(583.2896, 10127.44)(584.2885, 4018.42) 85.49 Deoxyuridine monophosphate (dUMP) 0.9354998 FindByFormula 16 Esi- C00365 308.0401 3440 (307.0332, 14014.1)(308.0362, 1782.33) 84.21 Dermorphin 15.314 FindByFormula 2 Esi- C20030 802.3696 73515 (801.3614, 6119.99)(802.3572, 4675.1)(803.3575, 5525.04) 51.52 Desacetylsufentanil Esi-7.7625303 7.7625303 FindByFormula 34 Esi- 376.1823 2526 (375.1755, 24943.2)(376.1786, 5629.66)(377.1808, 1605.64) 91.66 Desacetylsufentanil 9.448615 FindByFormula 13 Esi- 330.1731 2526 (329.1681, 16887.88)(330.1719, 3676.62)(331.1731, 915.47) 92 Descladinosyl-6-O-methylerythromycin 14.462703 FindByFormula 20 Esi- 665.396 1859 (664.3903, 16344.97)(665.3921, 7057.99)(666.3976, 3328.86) 79.8 Deserpidine 13.725999 FindByFormula 21 Esi- C06541 638.2871 3603 (637.2786, 22024.04)(638.2787, 14962.94)(639.2858, 8499.86) 65.05 Desmethyl rosuvastatin 17.99777 FindByFormula 26 Esi- 513.158 85034 (512.149, 21481.28)(513.1512, 8875.89) 52.18 Desmethyldescarbamoylnovobiocin Esi-13.859 13.859 FindByFormula 4 Esi- C12475 601.2272 64594 (600.2039, 84400.26)(601.2109, 38520.29)(602.2186, 19992.94) 52.92 Desmethyldescarbamoylnovobiocin 14.024297 FindByFormula 34 Esi- C12475 601.2103 64594 (600.2046, 60326.82)(601.2136, 28765.06)(602.2191, 15590.25) 56.17 Desmethylnimodipine 8.352 FindByFormula 8 Esi- 404.1571 1542 (403.1502, 13375.84)(404.1488, 3446.18)(405.1537, 1042.52) 77.3 Desmethylpantoprazole sulfate 0.65999997 FindByFormula 10 Esi- 495.0185 1699 (989.0056, 6900.66)(494.0143, 14687.22)(495.0131, 3966.75) 52.72 DETA NONOate 9.611143 FindByFormula 14 Esi- 223.1257 44818 (222.1185, 5013.76)(223.1203, 760.18)(224.1324, 1177.27) 59.6 Dexamethasone phosphate 19.374334 FindByFormula 15 Esi- 518.1684 3977 (1036.3278, 108.12)(1037.3457, 393.78)(1039.3413, 446.65)(517.1619, 56760.34)(518.1643, 20371.81)(519.1652, 6984.02)(520.1657, 1762.42) 66.32 Dexamethasone phosphate Esi-18.227526 18.227526 FindByFormula 21 Esi- 472.1646 3977 (471.1583, 63613.46)(472.1613, 24353.38)(473.1623, 7784.95)(474.1644, 1715.38) 77.91 D-Fructosazine 13.102999 FindByFormula 10 HMDB35284 Esi- 366.1289 90590 (365.1211, 5713.97)(366.1211, 1642.31)(367.1214, 2457.83) 56.25 DG(13:0/16:1(9Z)/0:0)[iso2] 20.97 FindByFormula 2 Esi- LMGL02010355 524.4424 98373 (523.4361, 5078.47)(524.4394, 2154.9)(525.4402, 1313.85) 71.46 DG(14:0/17:0/0:0)[iso2] Esi-21.095 21.095 FindByFormula 10 Esi- LMGL02010380 554.489 98396 (553.481, 15375.64)(554.4846, 6000.53) 63.05 DG(14:0/17:0/0:0)[iso2] 21.05 FindByFormula 30 Esi- LMGL02010380 554.4901 98396 (553.4829, 21642.62)(554.4863, 8120.99) 74.24 DG(15:1(9Z)/16:0/0:0)[iso2] 22.007374 FindByFormula 8 Esi- LMGL02010450 552.4743 98417 (551.4681, 7331.61)(552.4712, 3202.17)(553.4653, 1116.79) 80.02 DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] 21.215311 FindByFormula 16 Esi- LMGL02010451 550.4592 98418 (549.4524, 18999.26)(550.4556, 7196.81)(551.4667, 17340.67)(552.4703, 6875.06) 42.9 DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi-21.037998 21.037998 FindByFormula 10 Esi- LMGL02010451 550.4604 98418 (549.4522, 6481.55)(550.4549, 2962.59)(551.4665, 5797.7)(552.4691, 2317.75) 47.1 DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi-21.205997 21.205997 FindByFormula 18 Esi- LMGL02010451 550.4601 98418 (549.4517, 18056.48)(550.4547, 7405.08)(551.4653, 10500.53)(552.4691, 3865.57) 57.65 DG(15:1(9Z)/18:0/0:0)[iso2] 22.009 FindByFormula 1 Esi- LMGL02010455 580.5066 98422 (579.4995, 22525.46)(580.5031, 8983.72)(581.5134, 15896.04)(582.5182, 5721.04)(583.5192, 1824.86) 46.65 DG(15:1(9Z)/18:1(9Z)/0:0)[iso2] 20.950874 FindByFormula 16 Esi- LMGL02010456 578.4922 98423 (577.4843, 80525.34)(578.4876, 33084.18)(579.4959, 21460.38) 67.32 DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi-12.076 12.076 FindByFormula 9 Esi- LMGL02010457 576.4715 98424 (287.2295, 10928.8)(287.7335, 91.69)(288.234, 2436.94) 67.37 DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] 21.031 FindByFormula 8 Esi- LMGL02010457 576.4788 98424 (575.4669, 46166.36)(576.4704, 19167.51) 70.55 DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-21.1286 21.1286 FindByFormula 5 Esi- LMGL02010458 574.4573 98425 (573.4504, 14035.73)(574.4533, 6208.65) 62.89 DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] 21.024 FindByFormula 4 Esi- LMGL02010458 574.4582 98425 (573.4503, 17830.66)(574.4538, 7049.98) 66.77 DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-20.384 20.384 FindByFormula 4 Esi- LMGL02010458 574.4587 98425 (573.4514, 7847.27)(574.4542, 3404.49) 68.69 DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-20.66 20.66 FindByFormula 5 Esi- LMGL02010458 574.4616 98425 (573.4519, 23044.48)(574.4549, 10098.06) 70.29 DG(15:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] Esi-17.803 17.803 FindByFormula 5 Esi- LMGL02010471 628.5028 98438 (627.4999, 5575.16)(628.4977, 3062.62)(629.5107, 785.56) 76.85 DG(15:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] 24.135498 FindByFormula 36 Esi- LMGL02010471 628.5069 98438 (1256.0042, 15782.01)(1257.0076, 14687.74)(1258.0115, 7555.73)(1259.0133, 2854.55)(627.4982, 8845.68)(628.5008, 4064.93)(629.5096, 2669.29) 94.69 DG(17:2(9Z,12Z)/20:2(11Z,14Z)/0:0)[iso2] 24.37 FindByFormula 20 Esi- LMGL02010083 676.5302 4393 (675.5218, 7573.64)(676.5249, 3654.45)(677.5265, 1072.9) 94.88 DG(19:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] 24.370335 FindByFormula 30 Esi- LMGL02010530 630.5239 98463 (1260.0289, 1202.06)(1261.0322, 803.17)(1262.0485, 438.07)(629.5136, 4403.65)(630.5179, 2079.1)(631.5173, 781.84) 86.35 DG(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] 18.516 FindByFormula 9 Esi- LMGL02010536 656.5376 98469 (327.262, 81289.16)(327.7606, 450.53)(328.265, 18809.23)(655.5426, 978.75) 71.05 DG(24:1(15Z)/20:3(8Z,11Z,14Z)/0:0) 23.711845 FindByFormula 26 HMDB07836 Esi- 728.6285 59296 (363.3065, 445.59)(727.6217, 21395.68)(728.6264, 11900.91)(729.6262, 4399.24) 83.07 D-Glucosyldihydrosphingosine Esi-16.525 16.525 FindByFormula 6 Esi- C03858 509.3409 66066 (508.3526, 30889.91)(509.3502, 10596.53)(510.3531, 2528.75) 73.58 D-Glucosyldihydrosphingosine Esi-16.563997 16.563997 FindByFormula 10 Esi- C03858 507.3415 66066 (508.3471, 41770.59)(509.3499, 12901.19)(510.3541, 2880.69) 89.26 Diacetylfusarochromanone 17.548998 FindByFormula 6 HMDB38971 Esi- 376.1638 93579 (375.1574, 10318.24)(376.1633, 1956.27) 70.66 Diamidafos 5.4721675 FindByFormula 36 Esi- C19035 200.0706 72786 (199.0636, 112345.52)(200.0672, 9653.32)(201.0682, 2416.26) 96.77 Diamidafos Esi-5.6443315 5.6443315 FindByFormula 36 Esi- C19035 200.0706 72786 (199.0638, 78396.57)(200.0674, 7350.29)(201.0688, 1576.3) 98.09 Diazoxide 1.4783999 FindByFormula 15 Esi- C06949 229.9906 1992 (228.9867, 24263.66)(229.9898, 1548.33)(230.9856, 8159.24) 67.89 Dibenz[c,h]acridine 14.100645 FindByFormula 34 Esi- C20122 325.1148 73540 (324.1024, 46142.05)(325.1076, 14721.36) 71.56 Dibenz[c,h]acridine Esi-14.184999 14.184999 FindByFormula 9 Esi- C20122 325.1086 73540 (324.1021, 31963.28)(325.1052, 10115.41) 72.61 Dibenzothiophene 1.19125 FindByFormula 16 Esi- C20125 184.0316 44161 (367.0596, 2032.4)(183.0281, 23935.2)(184.0261, 932.71) 59.3 Dibenzothiophene Esi-2.2409997 2.2409997 FindByFormula 10 Esi- C20125 184.0335 44161 (183.0265, 21539.14)(184.0301, 1610.53) 69.26 Dicamba 1.3597239 FindByFormula 29 Esi- C18597 219.9671 44584 (218.9604, 23926.37)(219.9624, 4005.3)(220.9558, 14981.84)(221.9562, 646.07) 54.95 Dichlozoline 6.856238 FindByFormula 25 Esi- C18928 272.9977 72689 (271.9913, 80314.88)(272.9924, 9288.27)(273.9885, 5699.97) 48.63 Dichotosinin 18.799568 FindByFormula 35 Esi- LMPK12020273 478.1869 47489 (477.18, 20168.42)(478.1837, 6028.9)(479.1767, 8700.19)(480.181, 2781.0)(481.1768, 1861.78) 62.04 Diclobutrazol 0.88850003 FindByFormula 6 Esi- C11235 373.1021 68933 (372.0905, 9149.61)(373.0911, 3691.24) 50.99 Dictyoquinazol B 17.576752 FindByFormula 16 HMDB40441 Esi- 328.1431 94944 (327.1352, 163084.98)(328.1375, 48408.82)(329.1381, 13176.57) 82.54 Dictyoquinazol C 14.108884 FindByFormula 36 HMDB40442 Esi- 342.1188 94945 (170.0473, 3983.59)(341.1165, 52394.55)(342.1202, 14053.78)(343.1211, 5150.36) 73.53 Didanosine 1.8560002 FindByFormula 20 Esi- C06953 236.0879 1998 (235.0839, 94198.74)(236.0869, 11036.73)(237.0871, 2452.64) 98.54 Dideoxymycobactin 15.296556 FindByFormula 18 Esi- LMFA00000015 883.5526 45750 (882.5569, 13094.33)(883.5583, 20907.99)(884.5549, 10983.4) 38.94 Didodecyl thiobispropanoate 19.063225 FindByFormula 9 HMDB40172 Esi- 560.4106 94708 (559.4012, 21141.69)(560.4081, 7996.43)(561.4169, 8017.14) 54.52 Didodecyl thiobispropanoate Esi-19.048002 19.048002 FindByFormula 20 HMDB40172 Esi- 560.4055 94708 (559.3995, 23547.4)(560.4052, 9033.52)(561.4143, 8844.88)(562.4181, 3198.29) 59.57 dIDP 0.67 FindByFormula 8 HMDB03536 Esi- C01344 472.0402 58159 (471.0332, 46564.03)(472.0362, 6676.14) 82.02 DIDS Esi-19.112 19.112 FindByFormula 3 Esi- C11591 LMPK13090003 453.9411 53233 (452.9347, 35111.67)(453.9384, 4177.19)(454.9382, 2039.61) 69.67 DIDS 19.38 FindByFormula 9 Esi- C11591 LMPK13090003 453.9409 53233 (452.9346, 41625.02)(453.9373, 4225.27)(454.9375, 1833.48) 71.14 Diethyl L-malate 1.9203886 FindByFormula 36 HMDB40220 Esi- 236.0886 94751 (235.082, 91580.89)(236.0848, 11263.36)(237.0847, 2368.37) 96.6 Diethyl succinate 22.026 FindByFormula 3 HMDB33838 Esi- 174.0884 89562 (173.0799, 5211.02)(174.0786, 782.5) 42.16 Diethylphosphate 0.74047357 FindByFormula 19 HMDB12209 Esi- C06608 214.0618 62856 (213.0534, 420404.22)(214.057, 28122.28) 87.17 Difenacoum 15.213 FindByFormula 6 Esi- C16807 444.1723 71357 (443.1649, 70760.79)(444.169, 25942.61)(445.1687, 9958.11) 86.13 Diflunisal phenolic glucuronide Esi-18.394306 18.394306 FindByFormula 26 Esi- 472.0823 2031 (471.0745, 10967.46)(472.0773, 2879.87)(473.0721, 8125.16)(474.0762, 2332.03)(475.0699, 1350.71)(476.0824, 368.75) 35.91 Diflunisal phenolic glucuronide 19.114155 FindByFormula 26 Esi- 472.075 2031 (471.0749, 16692.22)(472.0786, 4551.13)(473.0721, 11418.37)(474.0751, 3277.51)(475.0761, 2582.73)(476.0829, 802.11) 41.55 Diflunisal phenolic glucuronide Esi-12.493718 12.493718 FindByFormula 36 Esi- 472.0814 2031 (471.0752, 10487.2)(472.079, 3040.72)(473.0737, 7275.66)(474.0774, 2101.88)(475.0714, 1678.71)(476.0716, 809.67)(477.083, 878.8) 43.32 Dihomomethionine 4.133 FindByFormula 10 Esi- C17217 223.0904 64496 (222.083, 9392.77)(223.0847, 1169.97) 52.46 Dihydro-2(3H)-thiophenone 14.265 FindByFormula 1 HMDB31253 Esi- 102.0159 87527 (101.0081, 13558.82)(102.011, 297.82) 64.8 Dihydrocaffeic acid 3-O-glucuronide 1.532 FindByFormula 4 HMDB41720 Esi- 358.0759 96078 (357.0808, 24097.39)(358.0909, 7920.33) 52.93 Dihydrocaffeic acid 3-sulfate 5.376 FindByFormula 8 HMDB41721 Esi- 308.0148 96079 (307.0106, 12381.02)(308.0134, 1770.39)(309.0175, 251.26) 72.95 Dihydrocodeine-6-glucuronide 12.852116 FindByFormula 17 Esi- 537.2183 2096 (536.2129, 9328.59)(537.211, 3201.56)(538.2001, 1729.03) 36.82 Dihydrocodeine-6-glucuronide Esi-12.849 12.849 FindByFormula 6 Esi- 1074.4377 2096 (536.213, 9540.19)(537.2182, 2730.67)(538.2085, 1240.87) 75.39 Dihydrodeoxystreptomycin 14.674 FindByFormula 1 Esi- C03755 613.2716 2507 (612.2836, 42598.6)(613.2855, 17466.32) 61 Dihydroergocristine 14.028513 FindByFormula 35 Esi- 657.328 4041 (1313.5725, 1642.41)(1314.6398, 983.65)(1315.5684, 3634.83)(1318.5795, 1030.09)(656.3128, 410754.34)(657.3204, 82207.95)(658.321, 25405.1)(659.3281, 3908.52) 41.74 Dihydrojasmonic Acid, Methyl Ester Esi-10.78 10.78 FindByFormula 6 Esi- 452.3157 43916 (225.1504, 1178.0)(226.1506, 8472.75) 35.97 Dihydrojasmonic Acid, Methyl Ester 10.011001 FindByFormula 6 Esi- 226.1589 43916 (225.1518, 2375.48)(226.1507, 11261.9) 40.66 Dihydrolevobunolol glucuronide 12.858502 FindByFormula 20 Esi- 515.2374 938 (514.2293, 21052.32)(515.232, 5411.15)(516.2337, 1221.97) 98.82 Dihydrorhodamine 123 7.447 FindByFormula 4 Esi- 346.1322 64881 (345.1251, 10762.91)(346.1283, 2321.42)(347.1321, 966.11) 88.49 Dihydroxyaltramine 14.530003 FindByFormula 36 Esi- 511.2469 924 (510.2445, 12757.37)(511.2491, 3320.62)(512.2425, 5076.97)(513.2472, 1574.72)(514.2366, 112.84) 59.29 Diisopentyl thiomalate 11.480583 FindByFormula 29 HMDB32223 Esi- 290.1584 88272 (289.1493, 21425.61)(290.1522, 4549.46) 65.68 Diisopropyl sulfate 3.7754996 FindByFormula 36 Esi- C19230 182.0617 72953 (181.055, 93779.34)(182.0581, 11342.12)(183.0613, 1043.37) 81.06 Dikegulac 5.55225 FindByFormula 24 Esi- C18825 274.1041 72590 (273.0987, 5136.11)(274.0979, 961.31)(275.0889, 500.78) 62.91 Dimefuron 1.261 FindByFormula 8 Esi- C18783 458.163 72553 (228.0697, 161.23)(228.5639, 334.88)(229.0695, 90334.49) 56.49 Dimethipin 6.852882 FindByFormula 34 Esi- C18719 256.0074 72495 (255.0004, 41063.45)(256.0017, 5665.41)(256.9957, 2935.24) 86.76 Dimethylenetriurea 5.929 FindByFormula 26 Esi- C06385 250.1 66392 (249.0945, 13893.65)(250.0953, 1303.97)(251.0989, 542.92) 92.54 Dinitrosopentamethylenetetramine 6.762446 FindByFormula 36 Esi- C19409 246.1055 73112 (491.2116, 401.36)(492.2114, 276.09)(245.0992, 55931.23)(246.1016, 9548.54)(247.106, 1292.09) 82.6 Dinoflagellate luciferin 13.512144 FindByFormula 35 Esi- C19704 648.316 73308 (647.3082, 78899.73)(648.3106, 26288.22)(649.3143, 7086.43) 94.11 Dinor Iloprost 23.757002 FindByFormula 10 Esi- 332.1999 779 (331.1937, 4083.02)(332.1962, 1100.09) 67.23 Dinoseb acetate 0.65527785 FindByFormula 36 Esi- C19119 282.0883 72861 (281.0793, 55045.81)(282.0811, 6298.11)(283.0798, 1141.17) 90.34 Diosbulbinoside F 23.655 FindByFormula 8 HMDB36783 Esi- 584.2108 91803 (583.2008, 6628.77)(584.2112, 1821.81) 65.98 Dioscoreside C 14.008612 FindByFormula 36 Esi- LMST01070010 1136.605 84161 (1135.5956, 46339.28)(1136.5994, 30277.47)(1137.6036, 13413.46)(1138.6143, 14044.19) 51.51 Dioscoreside C Esi-13.767999 13.767999 FindByFormula 8 Esi- LMST01070010 1076.5757 84161 (1075.5696, 11487.29)(1076.5714, 7398.55)(1077.5702, 8529.47) 64.17 Diphenoxylate 13.892 FindByFormula 5 Esi- C07872 452.2465 2327 (451.239, 5962.94)(452.2433, 1490.62) 74.25 Diphenylphosphine isopropyl ester 18.225498 FindByFormula 16 Esi- 404.1722 45301 (403.1651, 1061472.8)(404.1689, 295690.28)(405.1722, 55507.68) 78.62 Dipiperamide D 15.47 FindByFormula 7 HMDB40521 Esi- 642.2988 95012 (641.2907, 20741.64)(642.2902, 8898.8)(643.2899, 8959.2)(644.2919, 3043.4) 57 Dipyridamole 14.282286 FindByFormula 7 Esi- C06964 1008.6345 2341 (503.3135, 30237.06)(503.8037, 379.3) 33.79 Dipyridamole Esi-13.513 13.513 FindByFormula 6 Esi- C06964 564.3391 2341 (563.3288, 410082.84)(564.3342, 57033.06) 50.93 Distearyl phosphatidyl ethanolamine 14.769111 FindByFormula 9 Esi- 793.5671 173 (792.5813, 16573.38)(793.5838, 8452.01)(794.5839, 3024.57) 71.1 Distemonanthin 5.4749994 FindByFormula 10 Esi- LMPK12113389 404.0383 51801 (403.0316, 10041.39)(404.0343, 1969.49)(405.0369, 673.1) 95.49 Disulfiram 6.09688 FindByFormula 34 Esi- C01692 342.0561 2345 (341.049, 24595.81)(342.0524, 4497.92)(343.0463, 9409.53)(344.0551, 1450.4)(345.0299, 3225.8) 73.12 Ditalimfos 0.8190001 FindByFormula 9 Esi- C18925 299.0288 72686 (597.02, 2075.72)(598.0236, 704.14)(298.0301, 14642.58)(299.0344, 3628.53)(300.0339, 47539.02) 36.2 Dithianon Esi-0.836 0.836 FindByFormula 6 Esi- C18574 387.9776 72377 (192.9832, 32103.81)(193.4914, 486.78) 52.84 Dithianon 0.92333335 FindByFormula 30 Esi- C18574 295.9716 72377 (146.9794, 905650.4)(147.4832, 74.19)(147.9854, 17955.21)(294.9599, 5847.64)(296.9598, 4826.93) 55.31 Divinylprotochlorophyllide 11.446 FindByFormula 4 Esi- C11831 670.2267 63923 (669.2188, 6727.38)(670.2164, 3096.14)(671.216, 3596.93)(672.2105, 1286.3)(673.2299, 5786.99)(674.2358, 3406.38)(675.2382, 1277.1) 59.56 Djenkolic Acid 3.280057 FindByFormula 36 Esi- C08275 254.0378 44506 (507.0591, 3931.94)(508.0561, 1883.58)(253.0304, 62069.45)(254.0319, 5895.01)(255.0137, 4668.91) 64.4 DL-?-Lipoic Acid 19.389002 FindByFormula 10 HMDB01451 Esi- C00725 LMFA01130001 252.0516 126 (251.0423, 16087.02)(252.0461, 1817.21)(253.0536, 1361.02) 76.17 DL-PPMP 19.38286 FindByFormula 14 Esi- 474.3747 43408 (473.3731, 23410.89)(474.3775, 7959.85)(475.3811, 1410.6) 93.83 DL-threo-PDMP Esi-13.547 13.547 FindByFormula 2 Esi- 436.2899 64637 (435.2841, 7247.93)(436.2859, 2710.67) 51.66 DL-threo-PDMP 12.927001 FindByFormula 7 Esi- 390.2857 64637 (389.2792, 13074.66)(390.2818, 4069.13)(391.2822, 1477.37) 73.61 DL-threo-PDMP Esi-12.943765 12.943765 FindByFormula 17 Esi- 390.2858 64637 (389.2792, 13074.66)(390.2818, 4069.13)(391.2822, 1477.37) 73.61 DL-threo-PDMP Esi-13.577822 13.577822 FindByFormula 17 Esi- 390.2839 64637 (389.2795, 16942.21)(390.2828, 4931.61) 75.88 DMABA-d4 NHS ester 7.631 FindByFormula 4 Esi- 266.1194 96491 (265.112, 7778.04)(266.1164, 1657.78) 72.02 D-Mannitol 1-phosphate 3.2550561 FindByFormula 36 Esi- C00644 262.0486 3393 (523.0899, 4785.65)(524.1042, 659.97)(525.0872, 4599.67)(526.0751, 976.82)(527.0995, 5944.56)(528.1107, 3029.5)(261.0413, 45617.7)(262.0428, 7290.05)(263.0387, 15387.24)(264.0401, 1217.91) 51.58 Docusate 23.763111 FindByFormula 36 Esi- C07874 422.2335 4003 (421.2265, 45172.77)(422.2296, 12307.74) 69.62 Docusate Esi-23.757998 23.757998 FindByFormula 10 Esi- C07874 422.2339 4003 (421.2265, 45172.77)(422.2296, 12307.74) 69.62 Dodecylguanidine 14.127999 FindByFormula 7 Esi- C18723 273.2398 72499 (272.2343, 11946.03)(273.2341, 1450.93) 73.94 Dolastatin 11 14.159872 FindByFormula 16 Esi- C16905 1044.6199 71420 (1043.6074, 1044526.75)(1044.6108, 629522.2)(1045.6198, 192247.16)(1046.6276, 50827.03) 77.42 Donepezil 16.906 FindByFormula 9 Esi- 378.2139 45505 (378.2061, 611.68)(379.2104, 11752.42)(380.2109, 3770.37) 66.71 DPTA NONOate Esi-10.725725 10.725725 FindByFormula 29 Esi- 251.1573 62980 (250.1506, 7830.62)(251.1489, 2095.64)(252.1484, 191.17) 41.55 DPTA NONOate 16.07183 FindByFormula 36 Esi- 251.1577 62980 (250.152, 29477.07)(251.1545, 5271.75)(252.155, 458.56) 88.65 D-Tartaric acid 23.743286 FindByFormula 14 HMDB29878 Esi- 196.021 86561 (195.0136, 13104.86)(196.0241, 700.34)(197.0109, 68.55) 87.11 dTDP-4-oxo-5-C-methyl-L-rhamnose 3.291 FindByFormula 10 Esi- C11460 680.1269 69047 (339.0547, 41197.55)(339.5552, 125.37)(340.0565, 7360.88) 70.43 DU 122290 6.8994837 FindByFormula 35 Esi- C11709 362.1657 69168 (361.159, 17146.3)(362.162, 3669.77)(363.1593, 1123.99) 99.18 Duartin (-) 1.336 FindByFormula 8 Esi- 332.119 43647 (331.1176, 20931.3)(332.1182, 4562.93) 69.74 Dukunolide E 13.40732 FindByFormula 19 HMDB35733 Esi- 484.178 90988 (483.1675, 5516.49)(484.1681, 1724.76)(485.1646, 445.48) 84.51 dXTP 0.82 FindByFormula 2 Esi- C01348 628.0301 65585 (313.0025, 9650.49)(313.5089, 233.95) 50.36 E-3179 0.93 FindByFormula 10 HMDB13846 Esi- 540.1871 85282 (269.0869, 26529.54)(269.5822, 645.97)(270.0886, 3463.53) 64.87 E-4031 19.25171 FindByFormula 34 Esi- C13776 461.1995 69697 (460.1924, 14145.94)(461.1949, 5244.09)(462.1947, 1742.83) 83.08 E-64c 7.126 FindByFormula 2 Esi- 360.1888 44982 (359.1815, 9990.44)(360.1854, 1906.32)(361.1845, 879.32) 86.25 E-64d Esi-8.439941 8.439941 FindByFormula 17 Esi- 402.2356 64821 (401.228, 10169.59)(402.2311, 3137.43)(403.2151, 779.24) 63.83 E-64d 15.340661 FindByFormula 36 Esi- 388.2201 64821 (775.4242, 852.47)(776.4228, 295.07)(777.4149, 1283.4)(387.2129, 1070752.9)(388.2203, 136014.66)(389.2224, 25149.92)(390.2238, 3803.16) 78.45 E-64d Esi-14.968064 14.968064 FindByFormula 33 Esi- 388.2223 64821 (387.215, 14843.08)(388.2224, 3397.38)(389.2165, 511.24) 78.96 E-64d Esi-9.478 9.478 FindByFormula 7 Esi- 402.235 64821 (401.2288, 16568.29)(402.2306, 4502.93)(403.2294, 765.07) 87.88 ecdysone palmitate 23.307331 FindByFormula 30 Esi- C02681 LMST01020036 762.5639 57692 (761.5548, 35739.7)(762.5578, 17300.28)(763.5605, 5100.55)(764.561, 1308.79) 90.04 Eicosanedioic acid 18.644 FindByFormula 9 Esi- LMFA01170035 342.2778 35987 (341.2688, 4206.31)(342.2733, 1055.75) 79.58 Eicosatrienoic acid 19.126001 FindByFormula 10 Esi- 306.2576 259 (305.2513, 15439.14)(306.2553, 3419.58)(307.251, 315.21) 78.77 Eicosatrienoic acid Esi-18.831545 18.831545 FindByFormula 26 Esi- 306.2545 259 (305.2482, 11564.33)(306.2507, 2936.64)(307.2564, 526.89) 95 Elaiophylin 13.783 FindByFormula 2 Esi- C15844 1024.5759 71109 (1023.5876, 8410.71)(1024.5875, 5657.54)(1025.5905, 24573.35) 50.72 Elaiophylin Esi-8.087501 8.087501 FindByFormula 36 Esi- C15844 1070.605 71109 (1069.5962, 13239.02)(1070.6, 8124.63)(1071.6035, 3646.89)(1072.6091, 1454.53) 93.1 Endomorphin-2 13.158447 FindByFormula 36 HMDB05774 Esi- 571.2819 58309 (570.2731, 24048.56)(571.2813, 7520.81)(572.2721, 9711.72)(573.277, 3316.59)(574.2754, 1024.95) 55.53 Enkephaline, (D-Ala)2-Leu 13.792 FindByFormula 10 Esi- 569.2845 44752 (568.2741, 211393.38)(569.2797, 51499.07)(570.2813, 12971.96) 71.26 ent-8-deoxy-J2-IsoP 0.956 FindByFormula 7 Esi- LMFA03110063 316.2058 75108 (157.0964, 7324.26)(157.5821, 267.37) 35.11 ent-Epicatechin-(4alpha-8)-ent-epicatechin 3,3'-digallate 9.910001 FindByFormula 10 HMDB41260 Esi- 974.1697 95677 (486.0782, 14912.95)(486.5754, 377.96)(487.0806, 4479.73) 52.03 Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate 7.338 FindByFormula 10 Esi- LMPK12020069 556.1576 47285 (277.0713, 4910.48)(277.5762, 124.15)(278.0727, 827.53) 66.29 Epitheaflavic acid 3'-gallate 5.4819994 FindByFormula 9 HMDB40610 Esi- 672.097 95090 (335.041, 10251.51)(335.5495, 312.28)(336.0432, 1525.21) 66.59 Equilin sulfate 1.195 FindByFormula 6 Esi- C13416 696.2066 69572 (347.096, 7267.39)(348.0957, 2081.89) 58.12 Eremopetasitenin A2 14.027812 FindByFormula 21 HMDB30900 Esi- 396.1604 87268 (395.1531, 13536.35)(396.1551, 4672.07)(397.1559, 3473.29) 70.86 Ergosine 13.779663 FindByFormula 30 Esi- C09167 593.2902 67481 (1186.571, 3671.02)(1189.544, 3788.08)(1190.5425, 4526.84)(592.2741, 464171.6)(593.2807, 98556.27)(594.2909, 26295.92) 57.44 Ergosine Esi-13.778999 13.778999 FindByFormula 20 Esi- C09167 593.2868 67481 (1187.5645, 5986.81)(1188.5588, 4594.85)(1189.5518, 4102.35)(592.2781, 489788.2)(593.2855, 99119.52)(594.2982, 28209.13) 57.53 Eruberin C 14.064373 FindByFormula 16 Esi- LMPK12020172 654.2618 47388 (1309.5312, 3586.88)(1310.5238, 3331.3)(653.2479, 29231.8)(654.2465, 21904.76)(655.2504, 7939.28) 61.38 Erythromycin C 18.408873 FindByFormula 24 Esi- C06616 LMPK04000009 719.4401 2575 (718.4352, 5302.99)(719.4376, 2622.8)(720.4545, 2558.52)(721.4588, 1493.57) 59.31 Erythrose Esi-0.842 0.842 FindByFormula 2 HMDB02649 Esi- C03109 120.0415 289 (119.0332, 127138.97)(120.0363, 7246.97)(121.0352, 1984.5) 81.12 Erythrose 0.80287856 FindByFormula 33 HMDB02649 Esi- C03109 120.0415 289 (119.0352, 1029430.0)(120.0422, 23994.68)(121.0412, 5915.2) 95.54 Esmeraldin B 3.279 FindByFormula 5 Esi- C12310 652.1931 69427 (325.0899, 30883.18)(325.6005, 238.94)(326.0934, 5434.1) 68.62 Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate 17.395002 FindByFormula 6 Esi- C15424 352.1431 70893 (351.1353, 9664.96)(352.1418, 3760.99)(353.1476, 941.23) 59.61 Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate 17.593 FindByFormula 7 Esi- C15440 414.2087 70909 (413.2, 4964.12)(414.2019, 1624.93)(415.2044, 595.08) 70.96 Etacelasil 4.5644436 FindByFormula 36 Esi- C19131 316.1116 72873 (157.0511, 652.76)(315.1048, 8246.61)(316.1077, 1721.81)(317.0926, 2231.12) 72.01 ETF Esi-1.02 1.02 FindByFormula 5 HMDB59596 Esi- 320.0738 96226 (159.0294, 44689.07)(159.5388, 217.19) 66.59 ETF 0.8682 FindByFormula 10 HMDB59596 Esi- 146.0201 96226 (291.0402, 17901.79)(292.0485, 6709.01)(293.0342, 1496.68)(145.0125, 57425.76)(146.0195, 351.76) 80.8 Ethchlorvynol Esi-5.644143 5.644143 FindByFormula 35 Esi- C07833 190.0395 4015 (189.0337, 34523.34)(190.0375, 2381.83)(191.0323, 11855.75) 80.68 Ethchlorvynol 5.472722 FindByFormula 36 Esi- C07833 190.0402 4015 (189.0326, 67917.51)(190.0356, 5724.52)(191.0308, 22823.05)(192.0318, 3334.46)(193.0335, 309.68) 97.36 Ethionamide sulfoxide 1.4584999 FindByFormula 8 Esi- 228.0602 2594 (227.0523, 21820.03)(228.054, 5119.67) 38.03 Ethosuximide M3 glucuronide 5.8789697 FindByFormula 35 Esi- 349.1032 2598 (173.5418, 469.59)(348.095, 7449.15)(349.0996, 2661.1)(350.0919, 1290.02) 59.32 Ethyl 18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate 15.587999 FindByFormula 10 Esi- LMFA01090108 446.1818 96835 (445.1773, 14594.77)(446.1577, 1665.17)(447.1709, 3689.86) 53.38 Ethyl 2-Bromo-2-iodoacetate 0.9550001 FindByFormula 12 Esi- LMFA01090144 411.8987 96871 (204.9421, 42173.11)(205.4476, 365.11)(205.9444, 2488.27) 48.63 Ethyl 3-O-beta-D-glucopyranosyl-butanoate 4.5616097 FindByFormula 36 Esi- LMFA13010042 294.1293 98327 (146.0501, 745.95)(293.1219, 22389.13)(294.1249, 4247.68)(295.1236, 1100.9) 72.83 Ethyl glucuronide 1.150889 FindByFormula 36 HMDB10325 Esi- 222.0701 61648 (443.139, 4946.4)(444.1407, 1556.57)(445.0068, 160.64)(221.0641, 1163352.4)(222.071, 56148.21)(223.0713, 12662.04)(224.0713, 1038.51) 69.86 Ethyl hydrogen sulfate 1.2164668 FindByFormula 15 HMDB31233 Esi- 126 87510 (124.992, 103246.13)(125.9957, 4023.77)(126.9911, 6569.52) 93.62 Ethyl vanillin isobutyrate 8.610999 FindByFormula 23 HMDB37683 Esi- 236.1076 92513 (117.0526, 1424.77)(235.1007, 13232.39)(236.1039, 1963.13) 59.11 Ethynylestradiol 3-sulfate 14.048445 FindByFormula 36 Esi- 436.1546 1171 (435.1507, 17567.13)(436.1534, 6704.98)(437.152, 2244.78) 69.65 Etidocaine Esi-13.602999 13.602999 FindByFormula 10 Esi- C07530 336.2369 66669 (335.2314, 30012.96)(336.2344, 6980.29)(337.2446, 4006.52) 60.49 Etidocaine 11.308229 FindByFormula 26 Esi- C07530 336.2378 66669 (335.2311, 62801.43)(336.2344, 15209.02)(337.2331, 2560.75) 72.58 Etidocaine Esi-13.603334 13.603334 FindByFormula 36 Esi- C07530 336.2383 66669 (335.2314, 42402.7)(336.235, 10068.0)(337.24, 3426.54) 73.46 Etidocaine Esi-19.356 19.356 FindByFormula 2 Esi- C07530 322.2269 66669 (321.2193, 14288.77)(322.2229, 3084.64) 81.42 etizolam 3.2776656 FindByFormula 30 HMDB41890 Esi- 402.0928 96166 (401.0845, 20080.84)(402.0869, 4979.69)(403.0818, 8292.07)(404.1001, 2648.83) 92.32 Etofenprox 12.548554 FindByFormula 36 Esi- C18410 376.2008 72218 (375.1945, 15970.43)(376.1988, 3470.65)(377.2356, 575.41)(378.2734, 170.35) 74.46 Etomoxir 5.475 FindByFormula 4 Esi- 344.0989 85224 (343.0941, 5760.76)(344.0925, 1551.01)(345.0947, 3832.08)(346.0985, 1245.26) 60.06 Etrimfos 6.094629 FindByFormula 35 Esi- C18985 352.0852 72744 (351.0786, 70035.64)(352.0816, 12355.51)(353.0823, 2916.59) 93.06 Etrogol 15.208 FindByFormula 3 HMDB39101 Esi- 206.1347 93702 (205.1231, 5871.99)(206.1278, 707.18) 83.19 Eucatropine 10.562 FindByFormula 9 Esi- 337.1915 4021 (336.1843, 4063.67)(337.1834, 1394.46)(338.1827, 1843.13) 53.63 Euchrenone b5 19.375 FindByFormula 20 Esi- LMPK12050305 450.1678 47812 (449.162, 35253.46)(450.1643, 11983.9)(451.1663, 3788.05)(452.165, 963.03) 88.7 EUK 118 3.777 FindByFormula 10 Esi- 500.0949 45406 (249.0422, 16292.42)(249.5607, 328.63)(250.0469, 1678.44) 59.71 Evasterioside E 18.796001 FindByFormula 10 Esi- LMST05050010 762.4375 84930 (761.4313, 8823.01)(762.4332, 2177.85)(763.4296, 4017.35) 46.63 Ezetimibe Esi-18.233 18.233 FindByFormula 6 Esi- 469.166 43875 (468.1666, 8579.49)(469.1667, 5528.65)(470.1633, 4999.07) 55.75 Ezetimibe 23.694664 FindByFormula 15 Esi- 469.1761 43875 (468.1632, 19544.14)(469.1677, 7574.98)(470.1731, 2893.05) 75.07 Falimint 1.2552633 FindByFormula 19 HMDB40988 Esi- 284.11 95428 (283.0941, 20262.24)(284.1, 2051.62)(285.1049, 1042.67) 76.52 Famotidine sulfoxide 5.4755254 FindByFormula 19 Esi- 353.0393 2653 (175.5124, 348.9)(352.0292, 14892.74)(353.028, 2095.39)(354.0432, 164.11) 41.39 Faropenem 9.082625 FindByFormula 16 Esi- C13310 331.072 69558 (330.0648, 8050.49)(331.0677, 1684.66)(332.0766, 851.5) 82.21 Fenclorim 1.2720001 FindByFormula 10 Esi- C18832 223.9888 72597 (222.9861, 46309.46)(223.9834, 6303.56) 36.35 Fenirofibrate 3.2762504 FindByFormula 16 Esi- 320.0766 2685 (319.0746, 11700.05)(320.0851, 2775.29) 41.32 Fenirofibrate Esi-0.83699995 0.83699995 FindByFormula 6 Esi- 190.0513 2685 (379.0975, 23704.03)(380.0965, 6008.17)(381.0737, 2011.72)(189.0482, 14801.5) 50.91 Fenoldopam 0.76 FindByFormula 5 Esi- C07693 305.082 4024 (304.0747, 115218.63)(305.0777, 17204.07)(306.076, 9907.25) 66.82 Fenoterol sulfate 3.27675 FindByFormula 4 Esi- 858.2217 2694 (428.1042, 17540.26)(429.1012, 3223.62) 59.8 Fentin acetate 6.467787 FindByFormula 33 Esi- C18728 462.0546 72503 (461.0482, 10288.39)(462.0401, 2360.87)(463.0453, 622.75) 40.51 Ferrichrome 14.182625 FindByFormula 16 Esi- C06228 798.2565 66358 (797.2467, 11300.63)(798.2472, 9385.69)(799.2508, 8053.96)(800.247, 8747.36)(801.2538, 7137.85)(802.2578, 5899.24)(803.2641, 3742.25)(804.2228, 1211.77) 59.79 Ferulic acid 5.84 FindByFormula 4 Esi- C01494 194.0578 4156 (193.0514, 7110.65)(194.056, 1148.38) 73.52 Feruloyl-2-hydroxyputrescine 17.576998 FindByFormula 6 HMDB33465 Esi- 326.1488 89292 (325.141, 17754.72)(326.1403, 4015.17) 70.8 Fetidine 13.971 FindByFormula 9 Esi- C09441 682.325 67699 (681.3188, 253657.45)(682.3223, 51035.0)(683.3205, 9306.72) 71.85 F-Honaucin A 6.2790003 FindByFormula 20 Esi- 234.0553 65489 (233.0482, 14510.5)(234.0506, 1661.64) 75.43 Flavanone 7-O-[alpha-L-rhamnosyl-(1-2)-beta-D-glucoside] 17.994001 FindByFormula 9 Esi- C15579 548.188 70969 (1097.3619, 1123.87)(1099.3767, 454.45)(547.1818, 9198.16) 47.45 Flindersiachromone 5.9339995 FindByFormula 10 Esi- C09007 500.1999 67346 (249.093, 12660.71)(250.0951, 2265.6) 82.25 Flindersiamine 7.148 FindByFormula 5 Esi- C10678 273.0652 68487 (272.0592, 13488.71)(273.0604, 2333.17) 62.52 Flonicamid 3.2605877 FindByFormula 34 Esi- C18463 289.0673 72269 (288.0596, 57949.3)(289.0632, 11376.09)(290.0677, 1706.46) 89.02 Fludioxonil 1.917 FindByFormula 1 Esi- C18462 294.0471 72268 (293.0402, 17179.65)(294.0391, 3039.92) 65.79 Flumiclorac pentyl 19.377 FindByFormula 6 Esi- C10990 483.1401 68752 (482.1363, 16105.5)(483.1385, 5802.67)(484.1408, 3433.55) 57.1 Flunarizine 17.998611 FindByFormula 36 Esi- 464.2273 2731 (927.4286, 2333.03)(463.2203, 97958.03)(464.2231, 30184.15)(465.2239, 6444.74) 97.81 Flunisolide 15.317 FindByFormula 6 Esi- C07005 434.2203 2736 (433.2067, 8996.83)(434.2056, 3661.14)(435.1993, 3492.23) 53.16 Flunitrazepam 9.552 FindByFormula 3 Esi- 313.0839 85044 (312.0773, 6356.42)(313.0801, 1132.08) 77.21 Fluoroureidopropionic acid 0.858 FindByFormula 1 Esi- C16631 196.0552 688 (195.0407, 402618.28)(196.0595, 33807.81) 75.78 Fluotrimazole 0.8415001 FindByFormula 20 Esi- C18939 425.1347 72699 (424.1265, 21060.64)(425.1331, 3026.41)(426.1184, 1930.09) 50.68 Fluperlapine 17.4042 FindByFormula 20 Esi- C10967 355.1659 68729 (354.16, 13080.62)(355.1644, 4455.67)(356.1584, 34.23) 68.23 Fluphenazine enanthate 11.774001 FindByFormula 20 Esi- C07955 609.2855 66772 (608.2769, 31442.82)(609.2794, 10849.17)(610.2811, 2824.91) 95.46 Fluprostenol isopropyl ester 5.7529993 FindByFormula 8 Esi- 500.2376 45695 (499.2327, 8201.63)(500.2349, 2413.3)(501.2299, 536.09) 90.1 Fluprostenol Lactone Diol 6.6559997 FindByFormula 6 Esi- 432.1372 63038 (431.1296, 1949.07)(432.1291, 656.61)(433.1415, 535.18) 41.93 Fluprostenol methyl ester 12.857719 FindByFormula 36 Esi- 532.226 45218 (531.2194, 10401.83)(532.2193, 3489.04)(533.2168, 993.06) 62.64 Fluprostenol methyl ester Esi-17.805 17.805 FindByFormula 3 Esi- 518.2106 45218 (517.2029, 4409.18)(518.2064, 1174.59) 68.45 Fluvastatin 19.368715 FindByFormula 14 Esi- C07014 411.1943 2941 (410.177, 31913.75)(411.1792, 11904.5)(412.1823, 3616.23) 82.35 Fluvastatin Esi-19.509502 19.509502 FindByFormula 20 Esi- C07014 411.1848 2941 (410.1779, 35592.62)(411.1799, 12634.07)(412.1809, 3494.83) 83.2 Fluxofenim 1.5230498 FindByFormula 20 Esi- C18735 309.0417 72510 (617.0999, 11836.73)(619.1007, 1601.97)(308.0281, 24607.89)(309.027, 6158.22)(310.0295, 4093.58) 36.02 FMC-5(d18:1/24:0) 14.113999 FindByFormula 6 Esi- LMSP05010035 1067.747 83800 (1066.7408, 4408.14)(1067.7396, 3172.91)(1068.7504, 4203.62) 65.34 Foeniculoside I 14.174459 FindByFormula 26 HMDB41556 Esi- 902.2837 95938 (901.2738, 14102.99)(902.2692, 6346.12)(903.2704, 2887.4) 72.4 Folic acid 23.713362 FindByFormula 11 HMDB00121 Esi- C00504 441.1458 246 (881.3068, 294.74)(440.1324, 8848.69)(441.1351, 2947.18) 70.71 Folpet 0.8289091 FindByFormula 11 Esi- C18860 681.8135 72622 (339.9014, 19573.95)(340.8998, 9536.23) 46.33 Fomesafen 6.646 FindByFormula 6 Esi- C18736 483.99 72511 (482.9874, 7425.66)(483.9796, 3219.73)(484.9853, 4006.74)(485.9862, 2483.66) 46.13 Fomylciprofloxacin 5.555 FindByFormula 2 Esi- 405.1297 1775 (404.125, 9450.1)(405.1256, 2308.92) 68.73 Formononetin 7-O-glucuronide 0.838 FindByFormula 5 HMDB41735 Esi- 444.1099 96093 (443.1, 9429.02)(444.1086, 3760.83)(445.0901, 1352.89) 54.52 Formoterol 9.816001 FindByFormula 6 Esi- C07805 390.1776 2952 (389.1713, 7669.69)(390.1685, 1169.65) 61.51 Formylpyruvate Esi-1.255 1.255 FindByFormula 10 Esi- C02150 116.0128 65721 (231.0461, 25781.96)(115.0018, 25902.1)(116.0037, 1333.89) 65.99 Formylpyruvate 1.2281156 FindByFormula 26 Esi- C02150 116.0109 65721 (115.0034, 28662.49)(116.0031, 2207.97)(116.9851, 340.06) 70.84 Fortimicin AO 14.602798 FindByFormula 34 Esi- C17972 353.1816 71968 (352.174, 10998.6)(353.182, 1729.04)(354.179, 1122.84) 66.48 Fortimicin AP Esi-11.01 11.01 FindByFormula 2 Esi- C17975 334.2207 71971 (333.2135, 9171.63)(334.2173, 2387.94) 70.09 Fortimicin AP Esi-10.715143 10.715143 FindByFormula 7 Esi- C17975 334.2208 71971 (333.2141, 7802.01)(334.2177, 2554.21)(335.2123, 440.36) 70.23 Fortimicin AP 16.603037 FindByFormula 28 Esi- C17975 334.2182 71971 (333.2127, 9240.72)(334.2149, 2672.77)(335.2195, 710.78) 71.38 Fosinoprilat 13.224 FindByFormula 7 Esi- 1134.5667 2979 (566.2884, 8579.33)(567.2906, 3510.98)(568.284, 4735.88) 40.86 Fosinoprilat Esi-10.661 10.661 FindByFormula 7 Esi- 567.2989 2979 (566.2915, 6561.41)(567.2932, 2556.38)(568.2882, 2361.84) 60.67 FR122047 17.596004 FindByFormula 14 Esi- 423.1599 45372 (422.155, 5289.28)(423.1581, 1952.57)(424.1481, 330.32) 78.58 FTY720 phenoxy-biotin 12.246501 FindByFormula 20 Esi- 596.3149 64810 (595.3152, 24899.15)(596.3196, 9548.12)(597.3199, 5308.94)(598.3183, 2768.46)(599.332, 2167.54) 77.23 Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) 14.344999 FindByFormula 10 Esi- LMSP0506AA06 2679.7815 55926 (1338.8824, 11896.3)(1339.8868, 11011.14)(1340.8932, 9224.16) 61.11 Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-15.069 15.069 FindByFormula 10 Esi- LMSP0506AA06 1339.8943 55926 (1338.8827, 8048.43)(1339.8866, 8020.35)(1340.8953, 14270.57)(1341.8997, 10290.25)(1342.9031, 5412.33) 67.92 Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) 14.003999 FindByFormula 7 Esi- LMSP0505DK03 3273.8215 55679 (1635.9135, 7809.72)(1636.9305, 3336.03)(1637.9445, 1504.05) 49.63 Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) 14.227 FindByFormula 6 Esi- LMSP0505DK04 1661.9583 55680 (1663.955, 5137.93)(1664.9664, 13921.84)(1665.9696, 12356.43)(1666.9688, 9909.52) 40.5 Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) 14.231763 FindByFormula 17 Esi- LMSP0505DK05 1692.982 55681 (1691.986, 14972.77)(1692.9895, 12594.51)(1693.9915, 7100.08)(1694.9861, 43097.64) 67.64 Fucalpha1-3GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/16:0) 7.925 FindByFormula 10 Esi- LMSP0505DR01 1575.8804 55740 (786.9322, 6146.02)(787.4369, 4381.87)(787.9382, 2885.38)(788.4397, 1455.91)(1574.8745, 5080.58)(1575.8762, 4333.44)(1576.8823, 2525.28)(1577.8729, 948.96) 70.64 Fucalpha1-3GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) 15.418001 FindByFormula 10 Esi- LMSP0505DR07 1685.9974 55746 (1684.9918, 6934.42)(1685.9926, 4440.85)(1686.9884, 2896.42)(1687.977, 1434.28) 65.07 Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) 14.554874 FindByFormula 16 Esi- LMSP0505DE07 1528.9323 55645 (1527.9199, 7995.58)(1528.9292, 6783.14)(1529.9366, 3849.64) 47.6 Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) 14.925 FindByFormula 6 Esi- LMSP0505DE06 3145.9998 55644 (1571.9823, 8058.24)(1572.9825, 7347.33) 55.17 Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-14.553 14.553 FindByFormula 6 Esi- LMSP0505DE06 1572.9888 55644 (1571.982, 6841.44)(1572.9825, 5958.38)(1573.9764, 3744.78)(1574.981, 2088.21) 77.18 Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-14.548002 14.548002 FindByFormula 10 Esi- LMSP0505DE06 3145.9722 55644 (1571.9792, 5937.03)(1572.9801, 5019.62)(1573.9788, 3006.21)(1574.9766, 1660.21) 81.54 Fucoxanthinol 23.701998 FindByFormula 9 Esi- LMPR01070055 658.4092 41319 (661.4107, 7065.09)(662.4147, 4243.01)(663.4186, 2151.52) 76.59 Fursultiamine 0.6531053 FindByFormula 19 Esi- C18376 444.1448 72188 (443.1448, 9091.39)(444.1477, 1680.78)(445.1418, 1127.83) 86.35 Fusicoccin A 18.387997 FindByFormula 20 Esi- LMPR0104350004 728.4027 53693 (727.3946, 5349.49)(728.3994, 3034.77)(729.4039, 7146.78)(730.4078, 3873.78)(731.4023, 3883.34)(732.3959, 1285.81)(733.4052, 1253.77)(734.4092, 5421.23) 52.32 Fusidic acid 17.371 FindByFormula 2 Esi- C06694 516.3477 2984 (515.3341, 12408.05)(516.3378, 4027.99)(517.3319, 1129.13) 64.45 Futalosine 3.264 FindByFormula 2 Esi- C16999 460.1154 63994 (459.1159, 14880.22)(460.1265, 2635.67) 64.78 G?6983 18.649666 FindByFormula 9 Esi- 442.2118 45529 (441.1943, 4987.09)(442.1918, 1985.16)(443.2029, 366.03) 78.44 Gal?1-3GlcNAc?-Sp 19.37143 FindByFormula 23 Esi- 498.1762 3606 (497.1742, 9072.21)(498.1768, 3097.56)(499.1762, 5604.75)(500.1791, 2048.45)(501.1749, 1549.06) 65.28 Galactaric acid 0.78913885 FindByFormula 36 HMDB00639 Esi- C00879 LMFA01170107 270.0619 4227 (539.1357, 2445.35)(540.1345, 574.18)(269.053, 130257.95)(270.0549, 15131.92)(271.0481, 62485.77)(272.0522, 15685.91) 45.76 Galalpha1-3(Fucalpha1-2)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 14.838 FindByFormula 1 Esi- LMSP0505DI08 1364.8851 55666 (1366.8893, 23959.14)(1367.8955, 16940.87) 36.35 Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 13.67 FindByFormula 4 Esi- LMSP0506AP08 1364.9043 56018 (1363.8909, 10810.35)(1364.8943, 8135.43)(1365.9011, 7734.04) 44.94 Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) 13.770001 FindByFormula 6 Esi- LMSP0502AN03 1565.8986 54136 (1564.8756, 7233.39)(1565.8811, 5465.02)(1566.8754, 3396.37) 52.4 Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) 14.272389 FindByFormula 36 Esi- LMSP0502AN06 1695.9904 54139 (1694.985, 53213.33)(1695.9883, 50319.91)(1696.99, 27406.42)(1697.9889, 10914.41)(1698.9847, 25811.56) 71.59 Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-14.280001 14.280001 FindByFormula 10 Esi- LMSP0502AN06 1695.9926 54139 (1694.9822, 56368.47)(1695.9851, 52310.92)(1696.9872, 28901.13)(1697.9852, 11497.68) 93.79 Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) 17.088 FindByFormula 1 Esi- LMSP0502AM05 1459.9027 54129 (1458.8914, 2576.4)(1459.8868, 4375.15)(1460.899, 4125.02)(1461.898, 17534.21) 52.69 Galalpha1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 13.978 FindByFormula 6 Esi- LMSP0601CL08 2363.197 56612 (1180.5912, 20994.38)(1181.1211, 824.27) 47.46 Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) 17.998 FindByFormula 4 Esi- LMSP0505DM04 1269.808 55698 (1268.8029, 5273.0)(1269.8071, 4523.83)(1270.8065, 2372.57) 57.07 Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) 13.991999 FindByFormula 10 Esi- LMSP0505CO04 2365.214 55514 (1181.5999, 9877.43)(1182.0979, 117.25)(1182.5977, 7602.58) 65.02 Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) 15.344947 FindByFormula 36 Esi- LMSP0502AE07 1498.9042 54059 (1497.898, 13795.31)(1498.9006, 11959.47)(1499.9019, 6355.82)(1500.896, 2831.77)(1501.9204, 277.39) 71.98 Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/14:0) Esi-14.026 14.026 FindByFormula 9 Esi- LMSP0601AP09 3099.7017 103324 (1548.8365, 20259.57)(1549.8372, 15811.81) 39.2 Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/14:0) 14.013973 FindByFormula 35 Esi- LMSP0601AP09 1549.8434 103324 (1548.8322, 13713.71)(1549.8339, 10705.41)(1550.8387, 7553.79)(1551.8436, 4170.39)(1552.8452, 2601.1) 68.64 Gallamine 12.906752 FindByFormula 16 Esi- 469.351 44835 (468.3438, 8129.86)(469.3467, 2705.87)(470.342, 775.47) 82.95 GalNAc?1-3Gal?1-4Gal?1-4GlcNAc?-Sp Esi-14.18 14.18 FindByFormula 5 Esi- 817.2964 3668 (816.2996, 29929.91)(817.2986, 13297.67)(818.2883, 5149.03)(819.294, 1565.5) 61.73 GalNAc?1-3Gal?1-4Gal?1-4GlcNAc?-Sp 14.178999 FindByFormula 30 Esi- 817.3127 3668 (816.3019, 44576.23)(817.3019, 19427.41)(818.2946, 6405.29)(819.3037, 986.87) 80.54 GalNAc?1-4GlcNAc?-Sp 12.558999 FindByFormula 7 Esi- 539.2088 3608 (538.2023, 4444.72)(539.1999, 1335.95)(540.2076, 461.3) 79.76 GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 14.831999 FindByFormula 10 Esi- LMSP0505AJ08 2317.2314 55014 (1157.6132, 8453.27)(1158.1382, 866.41)(1158.6116, 5599.99) 36.4 GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/18:0) 14.571001 FindByFormula 10 Esi- LMSP0506AL02 1660.956 55976 (1659.9398, 5015.69)(1660.9417, 6780.97)(1661.9436, 5143.21) 60.16 GalNAcalpha1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) 14 FindByFormula 6 Esi- LMSP0502AC07 1539.9519 54041 (1538.9395, 33144.07)(1539.9427, 28239.3)(1540.944, 15129.72)(1541.9445, 5468.09) 79.2 GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:0) 14.2109995 FindByFormula 6 Esi- LMSP0506AO05 1587.9574 56006 (1586.9467, 4317.52)(1587.9436, 3853.79)(1588.9547, 2625.0) 51.41 GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 14.261834 FindByFormula 36 Esi- LMSP0506AO08 1628.0029 56009 (1626.9937, 483426.12)(1627.9965, 451575.78)(1629.0013, 223581.17)(1630.005, 68763.85)(1631.006, 22413.24)(1632.0037, 6847.23)(1632.9952, 2789.24) 71.61 GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) Esi-13.995312 13.995312 FindByFormula 26 Esi- LMSP0506AO08 1627.9954 56009 (1626.9896, 29046.76)(1627.9924, 25654.09)(1628.9922, 13596.88)(1629.9895, 6037.16) 89.84 Gambieric acid B Esi-15.449 15.449 FindByFormula 5 Esi- C16886 2261.3638 71408 (1129.6644, 21794.95)(1130.6675, 13082.58) 50.83 Gambieric acid B 15.571 FindByFormula 8 Esi- C16886 1190.696 71408 (594.3407, 45005.8)(594.8462, 1463.1)(595.3387, 15234.65) 59.04 Gambieric acid B Esi-15.044999 15.044999 FindByFormula 6 Esi- C16886 565.3384 71408 (1129.664, 130043.79)(1130.6666, 81119.32)(1131.6677, 30656.52)(1132.6626, 9129.21)(564.3291, 81649.05)(565.3323, 27460.38) 81.89 Gambirtannine 16.67 FindByFormula 6 Esi- C17533 376.1449 71764 (375.1362, 6999.33)(376.1401, 2582.83)(377.1285, 533.01) 73.03 Gambogic acid 14.213999 FindByFormula 10 Esi- C10062 674.3123 68104 (673.3051, 46474.02)(674.3074, 16536.89)(675.3097, 4423.33) 82.11 Gamma-glutamyl-Alanine 0.94 FindByFormula 8 HMDB29142 Esi- 217.1048 86034 (433.2136, 814.11)(216.0971, 302715.97)(217.0999, 28876.78)(218.0997, 5204.36) 85.61 Ganglioside GD3 (d18:0/20:0) 14.551854 FindByFormula 21 HMDB11862 Esi- 1501.8966 62564 (1500.887, 4785.28)(1501.8798, 5972.81)(1502.8816, 5456.32)(1503.8787, 4783.4)(1504.8787, 2982.0) 50.58 Ganglioside GD3 (d18:0/24:0) 14.566351 FindByFormula 20 HMDB11866 Esi- 1603.9509 62568 (1602.9478, 7632.9)(1603.9452, 6844.89)(1604.9377, 4222.0)(1605.9451, 5155.15)(1606.9523, 4230.98)(1607.9415, 3176.75)(1608.9309, 2015.87)(1609.9532, 1811.45)(1610.97, 3247.33)(1611.9713, 2636.72)(1612.9438, 3046.7) 33.42 Ganglioside GD3 (d18:0/25:0) 14.263999 FindByFormula 16 HMDB11868 Esi- 1617.976 62570 (1616.9666, 30907.39)(1617.9706, 28162.28)(1618.9694, 24558.7) 69.04 Ganglioside GD3 (d18:0/26:0) 14.254 FindByFormula 10 HMDB11869 Esi- 1645.9982 62571 (1644.9897, 37159.54)(1645.9921, 19100.02)(1646.9943, 7839.29)(1647.9922, 3806.03) 65.7 Ganglioside GM1 (18:1/22:0) 14.258153 FindByFormula 26 HMDB04858 Esi- 1661.9595 58255 (1660.9518, 9602.37)(1661.9547, 8628.17)(1662.9562, 8000.77)(1663.9576, 5148.73)(1664.9637, 10648.12)(1665.968, 9396.49)(1666.9669, 7430.45) 69.63 Ganglioside GM1 (18:1/22:0) Esi-14.879001 14.879001 FindByFormula 20 HMDB04858 Esi- 1661.9592 58255 (1660.9535, 9097.64)(1661.9543, 7107.14)(1662.9504, 4349.19)(1663.9518, 2215.39) 80.34 Ganglioside GM1 (d18:0/23:0) Esi-14.559 14.559 FindByFormula 10 HMDB11884 Esi- 1615.9714 62586 (1615.9697, 16977.53)(1616.9735, 13416.28) 58.17 Ganglioside GM1 (d18:0/23:0) 14.928692 FindByFormula 26 HMDB11884 Esi- 1616.9785 62586 (1615.9728, 41809.8)(1616.9757, 33232.68)(1617.9783, 16318.8)(1618.9791, 6462.82)(1619.9796, 2624.67) 91.5 Ganglioside GM1 (d18:0/23:0) Esi-14.870058 14.870058 FindByFormula 36 HMDB11884 Esi- 1616.9775 62586 (807.499, 515.39)(1615.9728, 41809.8)(1616.9757, 33232.68)(1617.9783, 16318.8)(1618.9791, 6462.82)(1619.9796, 2624.67) 91.5 Ganglioside GM1 (d18:0/23:0) Esi-14.567172 14.567172 FindByFormula 29 HMDB11884 Esi- 1616.9768 62586 (1615.9677, 25815.17)(1616.9714, 20376.68)(1617.9731, 10874.95)(1618.9688, 4299.24)(1619.979, 944.44) 97.74 Ganglioside GM1 (d18:1/22:1(13Z)) 14.847998 FindByFormula 10 HMDB11892 Esi- 3317.9014 62594 (1657.9463, 7569.33)(1658.9436, 6105.88)(1659.9417, 4065.22)(1660.9507, 7832.44) 61.56 Ganglioside GM1 (d18:1/23:0) 14.565001 FindByFormula 19 HMDB11893 Esi- 3229.928 62595 (1613.9495, 2845.48)(1614.9545, 6264.33)(1615.9706, 18502.27) 46.35 Ganglioside GM2 (d18:0/22:1(13Z)) 14.362 FindByFormula 4 HMDB11902 Esi- 1438.9229 62604 (1437.8824, 10978.23)(1438.8857, 9103.28)(1439.8878, 4913.5) 81.74 Ganglioside GM2 (d18:0/24:1(15Z)) 14.181 FindByFormula 3 HMDB11905 Esi- 1466.9049 62607 (1465.9084, 7387.5)(1466.9115, 5621.93)(1467.9049, 3129.82) 54.01 Ganglioside GM2 (d18:0/26:1(17Z)) 14.003003 FindByFormula 20 HMDB11908 Esi- 1540.9528 62610 (1539.9451, 62832.53)(1540.9468, 32305.96)(1541.9497, 11586.86) 55.95 Ganglioside GM2 (d18:0/26:1(17Z)) Esi-14.23 14.23 FindByFormula 15 HMDB11908 Esi- 1540.9518 62610 (1539.946, 4664.47)(1540.95, 3072.19)(1541.9546, 1633.92) 72.65 Ganglioside GM2 (d18:1/22:1(13Z)) 14.238332 FindByFormula 12 HMDB11911 Esi- 1436.8864 62613 (1435.8718, 3209.88)(1436.8776, 2696.88)(1437.8801, 10233.87)(1438.884, 8529.6)(1439.8918, 10698.49)(1440.8947, 7404.76)(1441.8953, 6048.72)(1442.8936, 3788.85)(1443.8751, 5487.71)(1444.8812, 4084.2)(1445.8849, 5147.78) 56.38 Ganglioside GM3 (d18:0/12:0) 15.373 FindByFormula 1 HMDB11913 Esi- 579.3608 62615 (1157.687, 44039.3)(578.3339, 809.6)(580.3141, 2746.64) 23.08 Ganglioside GM3 (d18:0/25:0) 13.784998 FindByFormula 20 HMDB11925 Esi- 1280.8706 62627 (1279.8633, 3263.57)(1280.8641, 2676.47)(1281.8778, 22367.58) 43.75 Ganglioside GM3 (d18:0/25:0) Esi-13.782999 13.782999 FindByFormula 8 HMDB11925 Esi- 1326.8728 62627 (1325.8641, 2712.41)(1326.8636, 2470.4)(1327.8785, 2979.58)(1328.876, 1953.68)(1329.8823, 3375.99)(1330.881, 3039.42)(1331.8918, 3665.71)(1332.8978, 2752.96)(1333.9053, 5285.86)(1334.9081, 4155.33)(1335.9124, 3100.73)(1336.9105, 2128.41) 62.7 Ganglioside GM3 (d18:0/26:0) 16.442 FindByFormula 3 HMDB11926 Esi- 1354.9089 62628 (1353.8958, 8558.32)(1354.898, 7259.64)(1355.9017, 3898.6)(1356.9019, 1968.86) 80.13 Ganglioside GM3 (d18:1/12:0) 14.21728 FindByFormula 36 HMDB04842 Esi- C04730 1156.6661 7101 (1155.6622, 295532.72)(1156.6665, 197348.66)(1157.6691, 64940.72)(1158.6702, 19472.65)(1159.6433, 7777.53)(1160.6202, 4218.03)(1163.6171, 2411.28) 80.37 Ganglioside GM3 (d18:1/14:0) 16.981998 FindByFormula 10 HMDB11928 Esi- 1124.685 62630 (561.3352, 53636.49)(561.8447, 400.6)(562.3367, 10964.34) 65.76 Ganoderic acid F 14.839998 FindByFormula 9 HMDB35988 Esi- 616.2956 91173 (615.2839, 28051.03)(616.2832, 12287.65)(617.2817, 9783.35) 57.5 Ganodermic acid TQ 23.731998 FindByFormula 10 HMDB37893 Esi- 510.3497 92699 (1020.7818, 3223.28)(1021.7859, 2722.78)(1022.7948, 1715.73)(509.3296, 6012.66)(510.3327, 2238.63) 66.51 Ganodermic acid TQ Esi-23.747498 23.747498 FindByFormula 20 HMDB37893 Esi- 510.3407 92699 (1019.6951, 385.01)(1021.7854, 2836.59)(1022.7946, 1757.87)(509.3293, 6119.94)(510.3296, 2356.43) 66.69 Garciduol B 3.2509997 FindByFormula 9 HMDB41381 Esi- 548.0944 95784 (547.0909, 12957.82)(548.0911, 3750.76)(549.0982, 4240.7) 55.26 Garciduol B Esi-18.406 18.406 FindByFormula 2 HMDB41381 Esi- 548.0924 95784 (547.0849, 15069.05)(548.0879, 7062.34)(549.0978, 3767.27) 56.72 Geldanamycin Analog 13.986411 FindByFormula 29 Esi- 545.2773 96314 (544.2634, 295223.75)(545.2688, 65285.33)(546.2714, 14652.64)(547.2741, 2167.85) 73.15 Genistein 4'-rhamnoside 0.82000005 FindByFormula 10 HMDB33651 Esi- 416.1121 89450 (207.0483, 113551.13)(207.545, 145.66)(208.0507, 11215.83)(415.1005, 2547.18) 71.02 Gentamicin 12.9094095 FindByFormula 17 Esi- C00505 537.3333 3041 (536.3296, 17299.75)(537.332, 5636.29)(538.3308, 2572.1) 78.71 Gibberellin A3 1.531625 FindByFormula 16 HMDB03559 Esi- C01699 346.14 6954 (345.1333, 98835.25)(346.1365, 17652.14)(347.1307, 5141.99) 83.7 Gibberellin A53 0.833 FindByFormula 3 Esi- C06094 LMPR0104170007 348.2031 41219 (173.0897, 58836.66)(173.587, 461.68) 59.3 Gibberellin A92 23.749931 FindByFormula 36 HMDB40648 Esi- 346.1398 95126 (172.0616, 759.32)(345.1319, 52540.16)(346.1351, 11003.6)(347.1365, 2405.64) 83.02 Ginsenoside Rb1 Esi-14.899 14.899 FindByFormula 10 HMDB35892 Esi- 1108.6101 91096 (1107.5989, 43434.15)(1108.5997, 28832.36)(1109.6038, 22179.54) 68.39 Ginsenoside Rb1 Esi-14.56789 14.56789 FindByFormula 36 HMDB35892 Esi- 1108.614 91096 (1107.5966, 46860.1)(1108.5985, 31089.64)(1109.602, 20535.49) 76.11 Ginsenoside Rb1 14.886058 FindByFormula 36 HMDB35892 Esi- 1108.6031 91096 (553.2864, 1819.88)(1107.5948, 77909.11)(1108.596, 52739.9)(1109.5986, 26147.9) 80.75 Ginsenoside Rb1 Esi-14.887374 14.887374 FindByFormula 16 HMDB35892 Esi- 1108.6049 91096 (1107.5948, 77909.11)(1108.596, 52739.9)(1109.5986, 26147.9) 80.75 Ginsenoside Rs2 14.255881 FindByFormula 25 HMDB39552 Esi- 1180.6198 94111 (1179.6158, 33432.3)(1180.6119, 21414.9)(1181.6034, 14126.28) 37.16 Ginsenoside Rs2 Esi-14.407 14.407 FindByFormula 10 HMDB39552 Esi- 2359.2366 94111 (1179.6234, 26070.86)(1180.6198, 17654.67) 43.89 Ginsenoyne L 10.817 FindByFormula 8 HMDB35524 Esi- 508.3504 90805 (507.3451, 10852.32)(508.3487, 4342.82) 59.12 Ginsenoyne L Esi-9.911 9.911 FindByFormula 6 HMDB35524 Esi- 508.352 90805 (507.3446, 5616.53)(508.3492, 2306.75)(509.3446, 671.9) 64.35 Glabrachromene II 4.0660005 FindByFormula 10 Esi- LMPK12120108 350.1144 51913 (349.1084, 5675.65)(350.1101, 1326.25)(351.106, 326.94) 87.97 Glandulone B 3.293 FindByFormula 20 HMDB38548 Esi- 244.1122 93221 (243.1041, 57827.76)(244.1069, 7643.42)(245.1066, 2024.77) 88 Glandulone B Esi-3.2642305 3.2642305 FindByFormula 26 HMDB38548 Esi- 244.1114 93221 (243.1041, 57827.76)(244.1069, 7643.42)(245.1066, 2024.77) 88 GlcCer(d16:1/18:0) Esi-23.399 23.399 FindByFormula 2 Esi- LMSP0501AA49 745.5698 103289 (744.5611, 23513.79)(745.5642, 11670.54) 60.33 GlcCer(d16:1/18:0) Esi-23.715746 23.715746 FindByFormula 16 Esi- LMSP0501AA49 745.5727 103289 (744.5608, 111903.25)(745.5637, 56255.27)(746.5662, 17084.3)(747.5619, 4489.29) 88.67 GlcCer(d16:1/18:0) 23.72477 FindByFormula 36 Esi- LMSP0501AA49 745.5686 103289 (744.5623, 96138.32)(745.5654, 48649.58)(746.5672, 14511.99)(747.5595, 4065.99)(748.5618, 1407.31)(749.5321, 1097.17) 93.95 GlcCer(d16:2(4E,6E)/20:0) 23.728607 FindByFormula 35 Esi- LMSP0501AA62 771.5828 103302 (770.5778, 22363.99)(771.5816, 9747.66)(772.574, 4343.46) 76.38 GlcCer(d16:2(4E,6E)/24:0) 23.733997 FindByFormula 10 Esi- LMSP0501AA64 827.6351 103304 (826.6369, 8124.37)(827.6402, 4772.71)(828.6487, 6042.6)(829.6592, 3933.46) 66.34 Glc-GP(18:0/18:0) 15.306222 FindByFormula 9 Esi- LMGP14010003 866.5891 102840 (865.5801, 27605.55)(866.5816, 9544.51)(867.5852, 3429.37) 80.76 GlcNAc?1-3(Gal?1-4GlcNAc?)2-Sp 14.541 FindByFormula 10 Esi- 1140.4321 3641 (569.2061, 4970.34)(569.7245, 178.29)(570.2034, 1228.47) 46.6 GlcNAc?1-3Gal?1-4GlcNAc?-Sp 14.087999 FindByFormula 7 Esi- 1430.5624 3621 (714.2711, 19338.32)(715.2727, 6244.64) 66.03 GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/16:0) Esi-14.669 14.669 FindByFormula 9 Esi- LMSP0508AA01 2221.3828 56029 (1109.6915, 15911.57)(1110.6914, 9247.33)(1111.6859, 4164.38)(1112.7001, 1491.5) 61.35 GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/16:0) 16.535767 FindByFormula 17 Esi- LMSP0508AA01 1064.7032 56029 (1063.6946, 5361.56)(1064.6964, 3760.86)(1065.6986, 1621.79)(1066.682, 886.8) 73.94 GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-14.850999 14.850999 FindByFormula 6 Esi- LMSP0508AA02 1092.72 56030 (1091.726, 12464.77)(1092.7285, 8441.24) 47.23 GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-14.592156 14.592156 FindByFormula 13 Esi- LMSP0508AA02 1092.7314 56030 (1091.726, 14613.39)(1092.7288, 9737.32)(1093.7285, 2936.63) 77.18 GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-16.559 16.559 FindByFormula 3 Esi- LMSP0508AA02 1092.738 56030 (1091.7188, 862599.4)(1092.722, 530696.44)(1093.7286, 138729.7)(1094.7301, 37813.93)(1095.7311, 7944.95)(1096.7338, 1868.96) 90.02 GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) 16.968437 FindByFormula 36 Esi- LMSP0508AA02 1092.7302 56030 (1091.722, 1121116.1)(1092.7253, 703454.94)(1093.7307, 204394.9)(1094.7338, 48472.43)(1095.7365, 11136.47)(1096.7373, 2494.22) 94.9 Glibornuride 17.968597 FindByFormula 15 Esi- 426.1777 3093 (425.1744, 41592.97)(426.1774, 11744.01) 67.68 Glibornuride M2 (p-carboxyglibornuride) 4.228 FindByFormula 10 Esi- 488.1447 3095 (243.0657, 16059.84)(243.5729, 280.41)(244.0668, 1934.11) 69.6 Gliquidone 23.70044 FindByFormula 36 Esi- 587.2365 3123 (1173.4556, 710.57)(1174.4559, 1319.3)(586.2261, 62688.82)(587.2284, 23252.82)(588.2294, 8839.54) 79.09 Gln Asn Arg 8.5429325 FindByFormula 30 Esi- 416.2124 23472 (415.2083, 23587.54)(416.2115, 6736.65)(417.2203, 853.1) 68.53 Gln Asn His 19.116697 FindByFormula 34 Esi- 443.1774 22561 (442.1684, 12155.16)(443.1762, 4363.52)(444.1794, 1809.64) 56.26 Gln Asn His Esi-17.809042 17.809042 FindByFormula 27 Esi- 443.1774 22561 (442.1691, 22797.9)(443.1736, 7831.55)(444.1755, 2893.73) 73.55 Gln Asn Ser 5.6339993 FindByFormula 7 Esi- 347.1409 22738 (346.1354, 5176.93)(347.1358, 1452.86)(348.1341, 662.39) 48.64 Gln Asp Phe 17.536264 FindByFormula 19 Esi- 408.1667 15905 (407.1594, 9082.38)(408.16, 2986.28)(409.1557, 199.67) 71.02 Gln Glu Gln 20.362995 FindByFormula 36 Esi- 403.171 17495 (805.3427, 5665.63)(806.3457, 4029.34)(807.3431, 2125.22)(402.1641, 26845.55)(403.1672, 9195.19)(404.1625, 10640.05)(405.1632, 3319.3)(406.1686, 1170.57) 60.99 Gln Glu Tyr 3.2723336 FindByFormula 15 Esi- 484.1796 17547 (483.1741, 10589.62)(484.1775, 3393.71)(485.178, 710.17) 87.99 Gln Ile Val 11.308382 FindByFormula 26 Esi- 404.23 23162 (403.2207, 18321.16)(404.2253, 5029.44)(405.2131, 716.51) 80.19 Gln Phe Ile 18.797 FindByFormula 5 Esi- 932.4623 20440 (465.2345, 7711.52)(466.2371, 2885.75) 64.68 Gln Pro Leu 15.321781 FindByFormula 36 Esi- 356.2139 23541 (355.202, 223999.38)(356.2071, 40811.81)(357.2016, 58566.95)(358.2041, 14181.92)(359.1896, 45280.22) 59.09 Gln Pro Leu Esi-18.393852 18.393852 FindByFormula 35 Esi- 416.2285 23541 (415.219, 17743.09)(416.222, 4855.52)(417.2244, 2295.95) 82.21 Gln Pro Pro 10.015439 FindByFormula 16 Esi- 400.1965 20374 (399.1888, 7414.9)(400.1919, 2412.76)(401.19, 1039.49) 73.02 Gln Ser Cys 15.427671 FindByFormula 30 Esi- 336.1094 23095 (335.1016, 6099.08)(336.106, 1069.37)(337.1, 2168.93)(338.0989, 457.05) 61.32 Glu Arg Phe 17.811998 FindByFormula 6 Esi- 450.2223 23606 (449.2132, 13542.72)(450.2158, 3872.51)(451.2237, 571.88) 85.52 Glu Gln Gln 18.229334 FindByFormula 30 Esi- 449.1736 22260 (448.1701, 17565.46)(449.1733, 8308.96)(450.1764, 2882.98) 63.1 Glu Gln Val 15.903283 FindByFormula 36 Esi- 374.1813 16340 (373.1728, 45253.07)(374.1764, 10274.79) 79.53 Glu Glu Thr 15.531578 FindByFormula 19 Esi- 377.1421 15656 (753.2717, 9087.52)(754.2715, 9099.11)(755.273, 7418.98)(376.1363, 10606.79)(377.1358, 2728.49) 63.18 Glu His Arg 11.428953 FindByFormula 21 Esi- 440.2134 23129 (439.206, 21743.69)(440.209, 5693.43)(441.2103, 1224.25) 95.69 Glu His Glu 18.001945 FindByFormula 36 Esi- 473.1756 20800 (472.1699, 7082.38)(473.1716, 4014.81)(474.1745, 2205.21)(475.1736, 41295.24) 64.11 Glu His Ile 6.2010427 FindByFormula 23 Esi- 457.2179 22925 (456.212, 13535.08)(457.2149, 3465.32)(458.2125, 790.15) 87.59 Glu Ile Arg 19.37 FindByFormula 9 Esi- 416.2403 15850 (415.2338, 3965.85)(416.2392, 1910.95)(417.2345, 9349.77) 60.23 Glu Ile Leu 6.2782145 FindByFormula 28 Esi- 419.2257 15730 (418.2187, 30823.86)(419.2221, 7641.86)(420.223, 1714.87) 95.12 Glu Ile Lys 16.073 FindByFormula 1 Esi- 388.2366 16755 (387.2274, 9207.09)(388.2315, 1650.05) 66.84 Glu Ile Val 15.325723 FindByFormula 36 Esi- 405.2091 21129 (404.2014, 723568.94)(405.2082, 96171.17)(406.2102, 18239.38) 72.64 Glu Ile Val Esi-5.766665 5.766665 FindByFormula 36 Esi- 405.21 21129 (404.2023, 25257.47)(405.2053, 5508.52)(406.207, 1703.41) 90.03 Glu Ile Val Esi-5.9629984 5.9629984 FindByFormula 36 Esi- 405.21 21129 (404.2032, 46416.19)(405.2058, 10655.81)(406.2089, 2601.89) 95.83 Glu Lys His Esi-19.547081 19.547081 FindByFormula 26 Esi- 458.2144 16272 (457.2065, 37609.27)(458.209, 14619.43)(459.2104, 4726.11) 73.42 Glu Lys His 19.64717 FindByFormula 36 Esi- 458.2143 16272 (457.2061, 38423.28)(458.2083, 15209.1)(459.2109, 4654.15) 75.06 Glu Met Trp 15.306168 FindByFormula 36 Esi- 524.1983 23638 (523.1905, 50092.39)(524.1925, 14277.34)(525.1968, 3809.67) 68.98 Glu Phe Glu 15.340002 FindByFormula 20 Esi- 423.1673 21661 (845.3359, 1954.91)(846.343, 1873.85)(847.3504, 1720.59)(848.3457, 830.54)(849.3432, 1504.05)(422.1603, 8147.14)(423.153, 6327.27)(424.1539, 2360.69) 42.2 Glu Pro Thr 18.227999 FindByFormula 6 Esi- 405.1712 16041 (404.1678, 558032.56)(405.1721, 92700.01) 81.06 Glu Thr Asp 23.731155 FindByFormula 36 Esi- 363.1339 16507 (725.3979, 2346.95)(726.402, 1670.39)(727.4073, 1055.16)(362.1219, 30280.6)(363.1255, 6404.39)(364.127, 1575.03) 86.58 Glu Thr Thr 18.444 FindByFormula 10 Esi- 409.1864 21841 (408.1627, 40050.09)(409.1652, 13787.98)(410.1661, 3886.52) 75 Glu Tyr Pro 1.822636 FindByFormula 33 Esi- 407.1677 22873 (406.1634, 19601.75)(407.1673, 4861.35)(408.1735, 1108.28) 86.95 Glucoconringiin Esi-6.1020007 6.1020007 FindByFormula 9 Esi- C08408 874.1283 66951 (436.0574, 9830.48)(437.0596, 2418.15) 54.26 Glucoconringiin 6.0960007 FindByFormula 16 Esi- C08408 437.0636 66951 (436.0574, 11318.11)(437.0562, 3089.39)(438.0589, 1008.41) 57.45 Glucoheptonic acid 0.7515001 FindByFormula 20 Esi- 226.0688 3365 (451.1076, 2465.86)(225.0614, 523325.28)(226.0671, 26018.87)(226.9851, 454.73) 81.46 Gly Asp Val 0.825 FindByFormula 6 Esi- 289.1228 16704 (288.1193, 37606.99)(289.1192, 5672.11)(290.1163, 892.72) 83.76 Gly Gln Gln 17.585 FindByFormula 4 Esi- 331.1485 23572 (330.1415, 7093.68)(331.1499, 2057.89) 52.95 Gly Gln Gly 7.899001 FindByFormula 7 Esi- 260.1104 22418 (259.1037, 20409.49)(260.1078, 4295.46) 64.8 Gly Lys Leu 12.153462 FindByFormula 13 Esi- 316.2119 23471 (315.2044, 7251.56)(316.2069, 1590.24)(317.2032, 790.69) 75.13 Gly Tyr Asn 1.812 FindByFormula 10 Esi- 352.1384 23524 (175.0594, 1832.66)(351.1297, 4097.67)(352.1308, 1237.72)(353.1302, 636.07) 53.8 Gly Tyr His 13.107 FindByFormula 5 Esi- 750.3214 23396 (374.1457, 440.67)(375.1496, 19313.8) 58.12 Glycerol 1,2-cyclic phosphate 0.79862505 FindByFormula 24 Esi- C03947 154.0013 66085 (152.9931, 45648.73)(154.0018, 2606.58) 52.3 Glycerol 1-propanoate diacetate 2.2479997 FindByFormula 10 HMDB31640 Esi- 232.0932 87831 (115.0395, 78334.47)(115.5378, 168.77)(116.0426, 5419.46) 69.95 Glycerol triundecanoate Esi-20.89194 20.89194 FindByFormula 17 HMDB31089 Esi- 596.5 87401 (297.2393, 2188.17)(595.4926, 17207.48)(596.4959, 7256.92)(597.5076, 11612.7)(598.5143, 8705.8)(599.5124, 3026.74) 49.51 Glycerol triundecanoate 15.240999 FindByFormula 16 HMDB31089 Esi- 596.5083 87401 (297.2441, 35128.01)(297.7215, 135.42)(298.2476, 7661.71) 57.49 Glycerol triundecanoate Esi-14.857001 14.857001 FindByFormula 6 HMDB31089 Esi- 596.5018 87401 (297.2442, 79027.77)(297.7487, 316.84)(298.2471, 18021.04) 68.78 Glyceryl lactooleate 18.986 FindByFormula 5 HMDB32298 Esi- 474.3181 88342 (473.3154, 20648.05)(474.3191, 7895.51) 46.42 Glycosides 17.955849 FindByFormula 26 HMDB31448 Esi- 704.3286 87688 (351.1545, 15078.64)(351.664, 215.2)(352.157, 3810.28) 63.5 Glycosides Esi-9.361889 9.361889 FindByFormula 36 HMDB31448 Esi- 584.2823 87688 (583.2767, 18338.98)(584.2778, 7747.92)(585.278, 2425.62) 80.15 Glycoursodeoxycholic acid 18.888 FindByFormula 5 HMDB00708 Esi- LMST04010445 449.308 57909 (448.3054, 6545.49)(449.3043, 3135.83)(450.3049, 969.13) 40.56 Glycylalanylprolylmethionylphenylalanylvalinamide 15.411845 FindByFormula 26 HMDB33241 Esi- 619.3173 89108 (1237.6129, 2053.73)(1239.6433, 15693.3)(618.3107, 19918.63) 36.82 Glycyl-H-1152 0.6485001 FindByFormula 26 Esi- 376.1546 45671 (187.0687, 286.73)(375.152, 12301.3)(376.1553, 2226.6)(377.1537, 1565.72) 70.86 Gly-Nap-OH 0.8299232 FindByFormula 13 Esi- 380.0997 65325 (379.0937, 39864.04)(380.0846, 7867.76) 64.66 Gly-Nap-OH Esi-0.83899987 0.83899987 FindByFormula 9 Esi- 760.2025 65325 (379.0931, 27372.01)(380.0894, 6000.22) 67.13 GN25 23.748777 FindByFormula 36 Esi- 322.052 96472 (321.0429, 9038.22)(322.0444, 2576.47)(323.0431, 797.29) 75.04 Gnididin 15.0476675 FindByFormula 6 Esi- C09096 694.3034 67424 (1387.5864, 820.68)(1388.5566, 1164.71)(1389.6088, 689.55)(693.2922, 64011.63)(694.2941, 20881.07)(695.2933, 7004.48) 85.23 Gonyautoxin IV 0.82699996 FindByFormula 3 HMDB33508 Esi- 822.1849 89323 (410.0767, 36424.27)(411.0785, 17008.02) 40.77 Goserelin Esi-13.974999 13.974999 FindByFormula 9 Esi- C07614 1268.635 562 (1267.6351, 7585.65)(1268.6293, 3887.64)(1269.6437, 2245.45)(1270.6399, 1638.89) 64.69 Goserelin Esi-14.011 14.011 FindByFormula 10 Esi- C07614 2537.2534 562 (1267.6298, 12202.55)(1268.6266, 8489.76)(1269.637, 3398.53) 68.83 Goserelin 14.209891 FindByFormula 36 Esi- C07614 1268.6454 562 (1267.6389, 37789.35)(1268.6416, 25063.58)(1269.6399, 11846.95)(1270.6255, 5001.82) 74.75 Goshonoside F6 19.122068 FindByFormula 30 HMDB38542 Esi- 708.3461 93215 (353.1725, 145810.6)(353.6692, 736.79)(354.1764, 31903.75) 58.46 GPSer(16:0/18:1(9Z)) Esi-14.094 14.094 FindByFormula 2 HMDB12357 Esi- LMGP03010002 761.5282 40788 (760.5185, 12634.51)(761.5227, 6439.38) 40.21 GPSer(16:0/18:1(9Z)) 14.143141 FindByFormula 28 HMDB12357 Esi- LMGP03010002 761.5199 40788 (760.5111, 15876.26)(761.5152, 7017.06)(762.516, 6363.89)(763.5487, 763.18) 67.89 Granisetron metabolite 4 sulfate 6.699 FindByFormula 6 Esi- 440.1359 3151 (439.1301, 4585.41)(440.1357, 1201.12) 60.11 Grossamide 14.837001 FindByFormula 3 HMDB40370 Esi- 1366.5247 94882 (683.2618, 21665.13)(684.2627, 10144.78) 64.76 GSK264220A 18.2306 FindByFormula 25 Esi- 423.1413 45429 (847.3043, 5041.13)(422.1408, 6663.25)(423.1437, 2415.96)(424.1407, 2960.81)(425.1374, 732.32) 66.76 Gualenate 15.454 FindByFormula 10 Esi- D02075 324.1023 2458 (323.0953, 5341.89)(324.1002, 2359.58) 56.58 Guanidinoproclavaminic acid 10.030999 FindByFormula 6 Esi- C06657 244.1151 64566 (243.1085, 12397.67)(244.112, 2373.75) 67.26 GW 3965 20.782 FindByFormula 10 Esi- C15631 581.1971 70987 (580.1862, 1757.21)(581.1907, 797.41)(582.183, 12672.69) 59.43 GW 6471 Esi-13.514 13.514 FindByFormula 36 Esi- C15620 635.2737 70981 (634.2542, 8921.26)(635.2535, 3444.51)(636.2567, 2657.66)(637.275, 2458.91) 60.53 GW 6471 Esi-14.841889 14.841889 FindByFormula 35 Esi- C15620 681.2562 70981 (680.2562, 41623.53)(681.2614, 23534.88)(682.2618, 19231.06) 62.24 GW 6471 Esi-13.727 13.727 FindByFormula 6 Esi- C15620 681.263 70981 (1362.5695, 738.01)(1363.5645, 708.47)(680.2568, 28782.79)(681.2626, 30711.6)(682.2614, 12418.26) 65.33 GW 6471 14.585426 FindByFormula 35 Esi- C15620 681.2582 70981 (1361.4971, 995.22)(1362.4792, 792.6)(680.2576, 40252.87)(681.2628, 23804.12)(682.2639, 21616.11) 68.68 GW 7647 Esi-23.759872 23.759872 FindByFormula 16 Esi- C15622 548.3292 45134 (547.3215, 18485.24)(548.3245, 6697.34)(549.3295, 1774.26) 89.23 GW 7647 23.763287 FindByFormula 36 Esi- C15622 548.3276 45134 (1095.6543, 625.86)(547.3216, 19495.44)(548.3245, 7043.84)(549.3293, 1849.3) 89.46 Gymnodimine 15.404001 FindByFormula 10 Esi- C20025 567.3545 73510 (566.3527, 1406937.9)(567.3567, 450085.22)(568.3643, 76587.92) 66.67 HA-1077 14.031361 FindByFormula 25 Esi- 337.1109 45280 (336.1037, 11210.28)(337.1058, 3591.88) 57.3 HAMI3379 11.905083 FindByFormula 24 Esi- 595.3179 96432 (594.3117, 16049.61)(595.3134, 7961.12)(596.3133, 7793.91)(597.3184, 4789.6) 53.46 Haplophytine 16.58 FindByFormula 4 Esi- C09208 712.3216 67517 (711.3042, 24342.23)(712.3013, 10989.78)(713.3048, 12030.02) 51.72 Harrisonin 3.267143 FindByFormula 14 Esi- C08766 516.2005 67185 (515.193, 9592.48)(516.1945, 3478.6)(517.1943, 2383.52) 66.71 HC Toxin 16.0416 FindByFormula 15 Esi- C15676 482.2466 64768 (481.2312, 12632.06)(482.2305, 3807.08)(483.233, 1523.29) 78.47 Hedamycin 15.937 FindByFormula 4 Esi- C15759 1492.6973 71090 (745.3376, 10624.12)(746.3322, 4668.27) 58.02 Hedamycin Esi-15.987 15.987 FindByFormula 4 Esi- C15759 746.3454 71090 (745.3368, 9770.68)(746.3279, 3907.42)(747.3359, 1762.84) 71.39 Heliotrine 17.581 FindByFormula 7 Esi- C10324 313.1902 68246 (312.1852, 7461.95)(313.1865, 1709.63)(314.1869, 233.06) 66.71 Hericene B 6.8440003 FindByFormula 6 HMDB41180 Esi- 628.4312 95602 (627.4241, 6006.54)(628.4291, 2062.38)(629.43, 652.28) 83.98 Hexacosanedioic acid Esi-20.018232 20.018232 FindByFormula 26 Esi- LMFA01170040 426.3707 35992 (851.7599, 513.25)(425.3623, 15897.58)(426.3661, 5009.56)(427.3652, 1364.88) 87.91 Hexacosanedioic acid 19.807503 FindByFormula 36 Esi- LMFA01170040 426.3707 35992 (425.3625, 29796.25)(426.3655, 9195.58)(427.3662, 1744.67) 93.56 Hexahydro-2',3alpha-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan] 1.3879999 FindByFormula 7 HMDB37809 Esi- 278.0682 92621 (277.0605, 39676.22)(278.058, 7826.94)(279.0562, 18891.18) 45.4 His Arg Ala 17.9955 FindByFormula 16 Esi- 442.2326 21964 (441.2243, 8063.67)(442.2264, 3295.9)(443.2211, 2901.16) 59.52 His Glu Asn 3.2802496 FindByFormula 16 Esi- 398.1502 17711 (397.149, 11369.26)(398.1475, 2005.24)(399.1483, 420.27) 88.7 His His Cys 19.791 FindByFormula 1 Esi- 910.3183 21194 (454.1514, 7858.97)(455.1839, 69.71) 47.56 His His His 18.806784 FindByFormula 14 Esi- 475.1889 20868 (474.1822, 4729.3)(475.1846, 2100.9)(476.1888, 876.96)(477.1922, 5957.75)(478.1929, 1833.94)(479.1875, 2781.94)(480.1876, 1191.08) 51.62 His Ile Gln 18.605 FindByFormula 4 Esi- 456.2287 22579 (455.222, 17417.97)(456.2328, 7764.24) 45.73 His Leu Lys 18.524498 FindByFormula 20 Esi- 396.2475 23294 (395.2414, 30353.97)(396.2437, 8617.13)(397.2396, 4516.17)(398.2419, 1406.96) 69.16 His Lys Asp 12.5626 FindByFormula 15 Esi- 444.2012 16181 (443.1925, 9855.03)(444.1961, 2919.06)(445.1904, 4013.18)(446.1941, 987.95) 58.91 His Lys His 12.830001 FindByFormula 6 Esi- 466.2319 22932 (465.2223, 15681.88)(466.2254, 4986.3)(467.2307, 2258.41) 74.74 His Lys Phe 7.8555346 FindByFormula 15 Esi- 430.2309 22220 (429.2233, 7371.63)(430.2252, 2093.5)(431.2358, 1397.42) 61.51 His Lys Phe Esi-6.1037855 6.1037855 FindByFormula 14 Esi- 430.2305 22220 (429.2238, 7796.12)(430.2275, 1939.6)(431.232, 1167.92) 73.09 His Met Ala 17.572886 FindByFormula 36 Esi- 357.1457 21513 (356.1392, 81029.73)(357.1413, 24962.04)(358.1414, 6890.79) 76.71 His Met Ala Esi-17.569 17.569 FindByFormula 10 Esi- 357.1461 21513 (356.1392, 81029.73)(357.1413, 24962.04)(358.1414, 6890.79) 76.71 His Met Glu 15.315889 FindByFormula 18 Esi- 461.1581 20861 (460.1539, 8741.67)(461.1529, 5261.63)(462.143, 7766.72)(463.1457, 5225.59)(464.1513, 12476.16)(465.1512, 5022.69) 40.08 His Met Lys 19.11 FindByFormula 7 Esi- 460.2163 23298 (459.207, 7714.09)(460.2061, 2028.22) 44.64 His Pro Trp 8.547 FindByFormula 7 Esi- 438.197 23595 (437.1914, 6499.09)(438.1951, 1663.93) 67.93 His Trp Ser 23.709875 FindByFormula 16 Esi- 428.1863 19604 (427.1762, 16401.37)(428.1786, 5791.75)(429.1609, 7060.39)(430.1603, 2072.96)(431.1453, 257.44) 33.47 His Val Lys 19.447 FindByFormula 7 Esi- 428.2376 17511 (427.2322, 7057.45)(428.2342, 2676.81) 60.93 His Val Met 18.00342 FindByFormula 24 Esi- 431.1815 15685 (430.1752, 18134.01)(431.1805, 2766.51)(432.1723, 501.26) 80.76 Hispidulin 7-(6''-E-p-Coumaroylglucoside) 1.9220002 FindByFormula 5 Esi- LMPK12111154 608.1526 49579 (303.069, 17194.34)(303.5687, 70.71) 59.18 Histidinyl-Aspartate 0.77099997 FindByFormula 10 HMDB28881 Esi- 316.1 85787 (315.0929, 35623.65)(316.0933, 7436.93)(317.1008, 369.09) 68.93 Histidinyl-Hydroxyproline Esi-0.77300006 0.77300006 FindByFormula 7 HMDB28886 Esi- 360.1249 85792 (179.0553, 1419161.9)(179.5526, 1816.13)(180.0617, 54847.29) 49.53 Histidinyl-Hydroxyproline 17.577 FindByFormula 30 HMDB28886 Esi- 328.1401 85792 (327.1319, 950070.56)(328.1369, 161452.73)(329.1383, 39979.82) 88.33 HMBOA-Glc 0.812 FindByFormula 3 HMDB37263 Esi- 357.1133 92216 (356.0995, 11286.65)(357.0976, 4665.91) 49.25 HMB-Val-Ser-Leu-VE 15.067 FindByFormula 8 Esi- 503.2747 64627 (504.274, 16947.63)(505.2776, 5318.22) 66.86 HMB-Val-Ser-Leu-VE Esi-15.069617 15.069617 FindByFormula 26 Esi- 505.2814 64627 (504.2721, 18095.92)(505.2761, 4931.28) 78.43 HMB-Val-Ser-Leu-VE Esi-5.619 5.619 FindByFormula 8 Esi- 551.2829 64627 (550.2745, 9436.44)(551.2765, 2743.85)(552.2817, 889.98) 82.64 Hodgkinsine 14.160522 FindByFormula 23 Esi- C09211 518.3125 67520 (517.3076, 18428.22)(518.3083, 6438.09)(519.3091, 1562.04) 84.4 Homocystine 5.4679995 FindByFormula 10 Esi- C01817 268.0603 4189 (267.0509, 31272.47)(268.0512, 3912.65)(269.0284, 1526.16) 63.28 Homodihydrocapsaicin 19.364 FindByFormula 10 HMDB36330 Esi- 367.2428 91474 (366.2287, 14188.09)(367.2405, 3853.61)(368.2332, 823.17) 76.35 HoPhe-HoPhe-OH 18.39144 FindByFormula 36 Esi- 448.1657 65354 (447.1547, 338596.47)(448.1601, 75756.17)(449.1619, 22821.02) 86.51 Hordatine B 15.021218 FindByFormula 36 Esi- C08308 626.3156 66901 (625.3097, 121429.61)(626.3097, 50533.66)(627.3115, 13261.41) 83.26 Horhammericine Esi-18.71 18.71 FindByFormula 1 Esi- C11677 368.1658 64315 (367.1676, 60285.89)(368.1693, 19965.13)(369.1685, 5670.07) 76.57 Horhammericine 18.711 FindByFormula 7 Esi- C11677 368.1746 64315 (367.1674, 65535.2)(368.1696, 21663.43)(369.1697, 6281.04) 79.8 Hovenidulcigenin A 14.899373 FindByFormula 16 HMDB41027 Esi- 544.3464 95461 (543.3369, 229262.86)(544.3399, 21800.6)(545.3373, 3455.49) 48.62 HPF 1.5047998 FindByFormula 25 Esi- 424.0967 64737 (847.1843, 1325.55)(848.1865, 627.71)(849.1808, 946.74)(211.0418, 641.8)(423.0895, 20884.0)(424.0893, 4302.46)(425.0906, 827.9) 77.57 HPF Esi-1.523 1.523 FindByFormula 5 Esi- 424.085 64737 (423.09, 22594.54)(424.0925, 5523.24)(425.096, 434.09) 82.46 Hycanthone 18.174 FindByFormula 4 Esi- D00541 402.1629 43996 (401.1573, 12938.91)(402.1604, 3061.79)(403.1581, 6307.31)(404.1596, 2289.84) 46.43 Hydramethylnon 9.134 FindByFormula 6 Esi- C10994 494.1902 68756 (493.1841, 7523.11)(494.188, 2485.03)(495.1854, 1048.56) 77.69 Hydroxymelphalan 1.116 FindByFormula 10 Esi- 378.1288 1125 (188.0526, 91898.55)(188.5537, 114.98)(189.0483, 18559.82) 65.51 Hydroxyminaline 0.73899996 FindByFormula 9 HMDB34368 Esi- 173.0397 89879 (345.0979, 19070.61)(346.0954, 4095.4)(172.0268, 35777.09)(173.0311, 4014.34) 62.48 Hydroxythiopental 3.2765558 FindByFormula 36 Esi- 258.1034 2834 (515.1971, 19627.38)(516.1998, 7609.27)(517.1963, 4895.82)(257.0974, 902324.8)(258.1041, 54568.69)(259.1001, 428.78) 71.53 Hypoxylone 0.936 FindByFormula 5 Esi- C10355 332.0715 68271 (331.0612, 9106.73)(332.0613, 2069.67) 75.73 Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-) Esi-14.070586 14.070586 FindByFormula 24 Esi- 340.2219 763 (339.2164, 14498.36)(340.2188, 3270.28)(341.2222, 1833.26) 76.22 Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-) 17.403498 FindByFormula 36 Esi- 340.2296 763 (339.2196, 31061.04)(340.2225, 6547.05)(341.2235, 1503.09) 89.63 Ile Ala Asn 12.813002 FindByFormula 9 Esi- 316.1728 23592 (315.1653, 4033.92)(316.1684, 865.07)(317.1744, 1374.11) 60.79 Ile Asp His 18.388 FindByFormula 10 Esi- 383.1765 16096 (382.1704, 21935.14)(383.1777, 3915.1)(384.1828, 712.58) 78.62 Ile Ile Lys 16.235855 FindByFormula 27 Esi- 372.2725 23532 (371.2674, 13283.95)(372.2709, 3940.82)(373.2758, 811.0) 83.29 Ile Lys His 12.859328 FindByFormula 36 Esi- 442.259 17418 (441.2479, 24535.63)(442.2514, 5885.86)(443.2492, 1759.19) 90.61 Ile Lys Lys Esi-18.367002 18.367002 FindByFormula 6 Esi- 387.2835 22538 (386.2794, 4413.72)(387.2862, 1612.58)(388.2762, 482.72) 47.3 Ile Lys Lys 18.372 FindByFormula 9 Esi- 774.5745 22538 (386.2807, 7483.32)(387.2844, 2146.61) 50.61 Ile Phe Ile 13.953 FindByFormula 6 Esi- 391.2476 22426 (390.2414, 6634.31)(391.2387, 2459.21) 57.87 Ile Val Gly 0.8231581 FindByFormula 19 Esi- 287.1795 23415 (286.1762, 8732.66)(287.1773, 1624.75) 73.94 Ile-lle-OH 17.959997 FindByFormula 10 Esi- 352.1646 65259 (351.1568, 15059.6)(352.1612, 4310.64) 67.95 Ile-lle-OH Esi-17.959187 17.959187 FindByFormula 27 Esi- 352.164 65259 (351.1552, 20429.75)(352.158, 4683.81) 78.7 imidapril 15.722 FindByFormula 3 HMDB41907 Esi- 405.1869 96172 (404.1789, 8927.19)(405.2, 4769.41) 36.75 Imiquimod 5.473 FindByFormula 9 HMDB14862 Esi- 286.1524 85419 (285.1377, 3927.6)(286.1367, 1218.4)(287.1259, 737.52) 51.41 Indinavir 17.455 FindByFormula 3 Esi- C07051 673.3784 816 (672.373, 4708.53)(673.3755, 2309.09)(674.374, 852.57) 63.69 Indolelactic acid 6.651751 FindByFormula 16 HMDB00671 Esi- C02043 205.0768 71 (204.0683, 679320.7)(205.0748, 46269.9)(206.0778, 5675.07) 69.77 Indoxylsulfuric acid 10.078612 FindByFormula 36 Esi- 273.0305 253 (545.0529, 1448.27)(272.0244, 12380.91)(273.0254, 2340.4)(274.0225, 928.21) 84.18 Inosine 2',3'-cyclic phosphate 3.2390003 FindByFormula 20 HMDB11680 Esi- 330.0336 62419 (659.0569, 2893.78)(662.0689, 1602.18)(164.0091, 353.48)(329.0297, 23546.19)(330.033, 4574.79)(331.0273, 9582.18)(332.0254, 307.75)(333.0372, 9804.24) 56.75 Inosine-5'-carboxylate 9.817114 FindByFormula 36 Esi- C03280 358.0769 65946 (357.07, 10820.33)(358.0731, 2492.51)(359.0781, 1707.25) 63.73 Ins-1-P-Cer(d18:1/22:0) 13.525001 FindByFormula 8 Esi- LMSP03030001 909.6123 41603 (908.6223, 13324.08)(909.6242, 7662.29)(910.6287, 3063.15) 89.06 Integerrenine 13.514326 FindByFormula 36 Esi- C10005 580.3272 68084 (579.3194, 159150.55)(580.3236, 48007.11)(581.326, 10709.28) 92.77 Integerrenine Esi-13.511475 13.511475 FindByFormula 19 Esi- C10005 580.3276 68084 (579.3195, 91482.56)(580.323, 32715.87)(581.3277, 7773.45) 96.71 Integerrine 15.816 FindByFormula 1 Esi- C10007 639.3046 68086 (638.2953, 29415.85)(639.3139, 15754.57) 46.67 Iprovalicarb 6.8900003 FindByFormula 5 Esi- C18866 380.2272 72628 (379.222, 5594.41)(380.2274, 1607.19)(381.2285, 668.17) 75.9 Iriediol 19.136 FindByFormula 11 Esi- LMPR0104520001 522.0933 53721 (521.0895, 5254.27)(522.0936, 2129.51)(523.0851, 38676.33)(524.0877, 17001.59)(525.0901, 6445.72) 52.13 isepamicin 14.0910015 FindByFormula 8 HMDB41911 Esi- 569.2836 96175 (568.2801, 426708.06)(569.2851, 83406.93)(570.2875, 18907.39) 75.36 isepamicin Esi-13.792515 13.792515 FindByFormula 35 HMDB41911 Esi- 569.2925 96175 (568.2809, 233662.73)(569.2853, 60200.77)(570.2881, 14149.79)(571.295, 4003.12) 89.99 Isobutyrylglycine 2.1578336 FindByFormula 36 HMDB00730 Esi- 145.0731 5698 (144.0659, 36189.92)(145.0675, 3754.15)(146.0621, 200.58) 87.24 Isoeugenol phenylacetate 4.0632215 FindByFormula 36 HMDB37278 Esi- 282.1262 92229 (281.1194, 19300.39)(282.1222, 2764.83)(283.1206, 468.01) 88.89 Isoferulic acid 3-sulfate 1.4775 FindByFormula 14 HMDB41748 Esi- 274.0115 96106 (273.0087, 15781.36)(274.0045, 539.06)(275.0036, 3082.13)(276.0069, 718.11) 60.32 Isofraxidin 5.471721 FindByFormula 36 Esi- C17480 268.0595 71724 (267.0508, 32833.14)(268.0513, 4029.75)(269.0399, 974.36) 80.53 Isomorellic acid 20.418127 FindByFormula 16 HMDB30734 Esi- 606.2425 87160 (605.2374, 5216.27)(606.2404, 2398.42)(607.2424, 1001.18) 78.06 Isoorientin 6''-O-alpha-L-arabinoside 3.304 FindByFormula 4 Esi- LMPK12110483 566.1294 48914 (565.1188, 6284.59)(566.1223, 2949.77)(567.1295, 2863.17) 65.92 Isopentyl gentiobioside 11.305951 FindByFormula 22 HMDB41512 Esi- 472.2176 95896 (471.2106, 5585.37)(472.2134, 1435.92)(473.2109, 610.39) 76.89 Isoplumbagin 0.9009231 FindByFormula 26 HMDB35291 Esi- 188.0447 90596 (187.0379, 1186460.5)(188.0527, 97949.58)(189.0492, 18955.07)(190.039, 4773.38) 77.57 Isopropyl apiosylglucoside Esi-18.751 18.751 FindByFormula 3 HMDB41513 Esi- 354.1496 95897 (353.1427, 7859.16)(354.1484, 2988.22) 44.99 Isopropyl apiosylglucoside Esi-18.040003 18.040003 FindByFormula 10 HMDB41513 Esi- 354.153 95897 (353.147, 211975.58)(354.1517, 52394.25)(355.1523, 14075.57) 74.57 Isopropyl apiosylglucoside 17.956388 FindByFormula 36 HMDB41513 Esi- 354.1573 95897 (353.1422, 510072.44)(354.148, 81353.66)(355.1487, 21668.16)(356.1527, 4624.26) 76.5 Isoreserpine 15.479998 FindByFormula 9 Esi- 668.294 44488 (667.2848, 16781.58)(668.3005, 9714.7)(669.3043, 3797.5) 45.79 Isorhamnetin 3-[2''-(4'''-acetylrhamnosyl)-gentiobioside] 3.2809997 FindByFormula 10 Esi- LMPK12112389 920.2448 50805 (459.113, 7179.37)(459.612, 156.43)(460.1222, 2208.55) 63.31 Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucuronide) Esi-20.356 20.356 FindByFormula 7 Esi- LMPK12111358 556.0585 49782 (555.0474, 686.52)(556.0542, 434.88)(557.0481, 8206.1) 58.82 Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucuronide) Esi-6.0989995 6.0989995 FindByFormula 10 Esi- LMPK12111358 556.0525 49782 (555.0459, 7646.42)(556.0415, 1889.19)(557.0421, 922.11) 81.32 Isoxaben Esi-12.109461 12.109461 FindByFormula 26 Esi- C18504 332.1742 72310 (331.1668, 28146.77)(332.1711, 5947.58)(333.1622, 4038.84) 67.99 Isoxaben 12.119002 FindByFormula 20 Esi- C18504 332.1734 72310 (165.0731, 505.15)(331.1668, 28146.77)(332.1711, 5947.58)(333.1754, 407.85) 96.03 Istamycin AP 7.093 FindByFormula 3 Esi- C17984 350.2168 71980 (349.2106, 8473.2)(350.2143, 2114.16) 66.28 Istamycin B0 11.156999 FindByFormula 9 Esi- C17990 756.4981 71986 (377.2421, 6697.78)(378.2439, 2103.47) 61.21 Istamycin C0 Esi-16.0415 16.0415 FindByFormula 16 Esi- C17994 346.2594 71990 (345.2534, 140197.6)(346.2565, 35459.73)(347.2618, 7450.51) 72.15 Istamycin C0 Esi-15.586999 15.586999 FindByFormula 6 Esi- C17994 346.2557 71990 (345.2517, 50977.12)(346.2552, 13455.0) 72.29 Istamycin C0 16.04067 FindByFormula 30 Esi- C17994 346.263 71990 (345.2507, 290905.12)(346.2564, 50622.58)(347.2633, 12176.32) 86.88 Istamycin C0 Esi-15.5872755 15.5872755 FindByFormula 36 Esi- C17994 346.2588 71990 (345.2488, 200738.44)(346.2531, 40942.02)(347.2556, 6742.05) 89.57 Istamycin KL1 14.607001 FindByFormula 8 Esi- C17983 336.1942 71979 (335.1917, 10513.63)(336.1955, 2315.31)(337.1895, 295.44) 79.21 Istamycin X0 14.477108 FindByFormula 36 Esi- C17986 318.2266 71982 (317.2165, 53053.4)(318.2197, 12173.15)(319.2272, 3674.43)(320.2357, 274.31) 67.29 Istamycin X0 Esi-15.615997 :1 15.615997 FindByFormula 26 Esi- C17986 318.2276 71982 (635.449, 1083.44)(636.434, 330.15)(317.2201, 102429.13)(318.2232, 25643.02) 72.8 Istamycin X0 Esi-15.622 15.622 FindByFormula 10 Esi- C17986 318.2285 71982 (635.4635, 885.88)(636.4652, 764.52)(317.2198, 54189.53)(318.223, 12970.37) 75.96 Istamycin X0 Esi-9.9388895 9.9388895 FindByFormula 18 Esi- C17986 364.2324 71982 (363.2261, 18800.46)(364.2299, 5216.28)(365.2307, 1224.87) 79.31 Istamycin X0 Esi-16.171446 16.171446 FindByFormula 36 Esi- C17986 364.2331 71982 (363.2264, 17920.94)(364.2306, 4344.79)(365.2305, 788.83) 82.45 Istamycin Y0 14.721629 FindByFormula 35 Esi- C17985 364.2321 71981 (363.2245, 47341.77)(364.2279, 10545.38)(365.2293, 2306.13) 95.34 Jaceidin 8.173999 FindByFormula 12 Esi- LMPK12112999 360.0854 51411 (179.0344, 1185.46)(359.0787, 4879.93)(360.0838, 872.74)(361.0847, 541.51) 74.82 Jadomycin B 17.994574 FindByFormula 14 Esi- C12395 549.2013 63768 (548.1957, 10515.86)(549.1927, 4228.03)(550.197, 1436.46) 74.74 Jamaicamide A 18 FindByFormula 10 Esi- C18212 612.1601 65427 (611.1535, 7881.09)(612.1522, 3254.88)(613.1492, 3950.14)(614.1436, 1882.24)(615.1677, 6063.09) 47.39 Jamaicamide B 10.194334 FindByFormula 15 Esi- C18213 534.2465 65414 (533.2404, 15897.41)(534.2425, 4479.32)(535.2399, 6138.78)(536.2315, 2848.37)(537.25, 5594.46)(538.2537, 2940.89)(539.2574, 2519.53)(540.2613, 1494.64) 69.72 Jamaicamide B Esi-11.435726 11.435726 FindByFormula 11 Esi- C18213 534.2475 65414 (533.2396, 20461.9)(534.2434, 7207.1)(535.2393, 8367.63)(536.2401, 2932.14)(537.2507, 10441.4)(538.2576, 4263.12) 70.68 Jamaicamide B Esi-10.62047 10.62047 FindByFormula 17 Esi- C18213 534.2469 65414 (533.2394, 12941.65)(534.2432, 4123.01)(535.2391, 5655.77)(536.2361, 2642.91)(537.2529, 4672.57)(538.2588, 2342.38)(539.2575, 1860.67)(540.2656, 615.43) 70.9 Janthitrem C Esi-14.425043 14.425043 FindByFormula 23 HMDB40684 Esi- 615.3665 95159 (614.3532, 249811.45)(615.3578, 68330.92)(616.3585, 17616.9)(617.3615, 3518.65) 54.65 Janthitrem C 14.676052 FindByFormula 36 HMDB40684 Esi- 615.3616 95159 (614.3447, 362221.22)(615.3501, 88472.96)(616.3514, 22336.09)(617.3547, 4743.53) 57.36 Janthitrem C Esi-14.674221 14.674221 FindByFormula 18 HMDB40684 Esi- 615.3655 95159 (614.3451, 276846.53)(615.3488, 72918.37)(616.3488, 18859.19)(617.3499, 4158.89) 60.44 Janthitrem C Esi-14.837 14.837 FindByFormula 30 HMDB40684 Esi- 615.3591 95159 (614.3459, 282173.56)(615.3508, 75532.7)(616.352, 19415.33) 70.28 Janthitrem C Esi-15.099999 15.099999 FindByFormula 7 HMDB40684 Esi- 615.3561 95159 (614.349, 614810.3)(615.3552, 151619.81)(616.3567, 35433.58) 72.98 Janthitrem C Esi-14.834 14.834 FindByFormula 6 HMDB40684 Esi- 615.3514 95159 (1230.7096, 926.89)(614.3512, 193404.02)(615.3542, 61516.0)(616.3556, 15588.56) 80.98 Jesaconitine 13.668113 FindByFormula 36 Esi- C08692 675.3151 67126 (674.3154, 35986.96)(675.3173, 11532.66)(676.3147, 5557.56)(677.3006, 1222.49) 56.59 JNJ-10198409 12.410001 FindByFormula 10 Esi- 650.2441 64654 (324.1146, 16475.2)(325.1181, 6417.48)(326.1197, 1607.54) 73.49 JNJ-10198409 Esi-12.412695 12.412695 FindByFormula 26 Esi- 325.1209 64654 (324.114, 26782.3)(325.1175, 5945.18)(326.1196, 1186.03) 93.12 JP104 13.218165 FindByFormula 36 Esi- 466.2519 45145 (465.2404, 17394.57)(466.241, 4714.64)(467.2442, 1447.35) 89.22 JP83 18.392504 FindByFormula 36 Esi- 462.2181 45144 (461.2107, 5447.63)(462.2103, 2413.04)(463.214, 2566.38)(464.2118, 873.34) 61.23 Jurubine 19.112003 FindByFormula 26 Esi- LMST01070002 595.4044 84154 (594.3996, 288666.44)(595.405, 102131.02)(596.4058, 33297.55)(597.4064, 7893.57) 92 JWH 073 N-(4-hydroxybutyl) metabolite-d5 Esi-6.25 6.25 FindByFormula 6 Esi- 348.1902 96590 (173.0869, 10656.36)(173.5743, 342.89)(174.0881, 1714.79) 52.09 JWH 073 N-(4-hydroxybutyl) metabolite-d5 6.746 FindByFormula 6 Esi- 348.1843 96590 (347.179, 15037.67)(348.1822, 2734.68) 63.29 JWH 073 N-butanoic acid metabolite-d5 16.1248 FindByFormula 25 Esi- 422.1876 96673 (421.1805, 11288.81)(422.1843, 4524.42)(423.1871, 2247.75) 73.1 JWH 081 N-(5-hydroxypentyl) 18.391003 FindByFormula 10 Esi- 433.1958 85142 (865.3837, 2651.98)(866.3877, 1937.31)(867.383, 2038.91)(868.3764, 1238.82)(869.3874, 989.88)(432.1841, 6845.4) 33.68 JWH 081 N-(5-hydroxypentyl) Esi-18.811003 18.811003 FindByFormula 7 Esi- 433.1865 85142 (432.1801, 7480.55)(433.1734, 1043.91) 37.8 JWH 200 2'-naphthyl isomer 18.455687 FindByFormula 19 Esi- 430.1807 96675 (429.1812, 69645.73)(430.1842, 25477.82)(431.184, 9235.44) 79.73 JWH 200-d5 12.558144 FindByFormula 14 Esi- 449.2397 96642 (448.2287, 11956.23)(449.2314, 3680.68)(450.2379, 986.68) 94.95 JWH 210 N-(5-carboxypentyl) metabolite 19.773127 FindByFormula 33 Esi- 399.184 96594 (398.1768, 9889.22)(399.1798, 3885.44)(400.1731, 687.15) 79.29 JWH022 19.199772 FindByFormula 26 Esi- 385.1699 85139 (384.1619, 46190.47)(385.1638, 14879.09)(386.163, 4037.72) 84.39 JWH022 Esi-19.05115 19.05115 FindByFormula 26 Esi- 385.1693 85139 (384.1615, 55873.22)(385.164, 18372.28)(386.1645, 5259.1) 87.41 JWH145 20.372997 FindByFormula 20 Esi- 413.2003 85145 (412.1926, 7359.39)(413.1943, 2797.1)(414.1905, 984.55) 74.51 JWH213 15.326998 FindByFormula 8 Esi- 383.2282 85150 (382.2213, 7840.17)(383.2228, 1964.73)(384.2183, 1463.81) 51.71 Kalbreclasine 15.3 FindByFormula 4 Esi- C08529 1058.2904 67046 (528.139, 5612.67)(529.137, 6553.43)(530.1429, 8655.71)(531.1403, 4011.33) 61.99 Kanokoside D Esi-15.083 15.083 FindByFormula 6 Esi- C17431 1368.5494 71687 (683.2725, 30761.64)(684.2739, 14439.72) 34.21 Kanokoside D 15.45021 FindByFormula 19 Esi- C17431 684.281 71687 (683.2747, 28260.47)(684.2775, 12776.88)(685.2755, 5212.13) 67 Kansuinine B 14.370894 FindByFormula 19 Esi- C09122 722.2525 67445 (1443.5208, 1365.09)(1444.5156, 1704.36)(1445.5142, 1509.67)(1446.5222, 1901.97)(721.2482, 10974.21)(722.2494, 8754.56)(723.2481, 7604.73) 43.49 Kanzonol R 23.751001 FindByFormula 10 HMDB41099 Esi- 370.1774 95532 (369.1717, 5434.32)(370.172, 1948.27)(371.1728, 721.57) 67.05 KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) 15.08 FindByFormula 10 Esi- LMSP0601DH01 2223.3672 56786 (1110.6729, 26726.17)(1111.6876, 35874.75)(1112.6908, 20164.15)(1113.6732, 8331.21) 55.04 Ketanserin 12.195039 FindByFormula 28 Esi- C07464 395.1654 889 (394.1579, 5964.17)(395.1607, 2189.44)(396.1695, 361.0) 79.11 Ketanserinol 18.917 FindByFormula 8 Esi- 457.2102 890 (456.1935, 10344.61)(457.1923, 2254.64)(458.1811, 1826.09) 34.19 Ketoconazole 0.8209999 FindByFormula 3 Esi- C07061 650.1875 899 (324.0881, 14821.47)(324.5847, 339.22) 57.49 Ketoconazole Metabolite (2,3-Piperazinedione, 1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethy 0.95299995 FindByFormula 10 Esi- 516.0959 902 (257.0428, 112082.42)(257.5454, 742.2)(515.0822, 1928.97) 40.91 Ketoleucine 5.178111 FindByFormula 36 HMDB00695 Esi- C00233 130.0634 121 (129.0562, 838344.44)(130.062, 30497.71)(131.0651, 2616.98) 92.46 Ketoleucine Esi-4.723999 4.723999 FindByFormula 20 HMDB00695 Esi- C00233 130.0663 121 (129.0561, 675809.9)(130.0618, 25637.45)(131.0632, 2955.02) 93.51 ketophenylbutazone 0.795 FindByFormula 8 HMDB41914 Esi- 322.1331 96176 (160.0589, 93369.35)(160.5515, 417.66)(321.1253, 1088.46) 58.4 Ketospirilloxanthin 11.343001 FindByFormula 10 Esi- C15884 LMPR01070153 702.4519 41408 (350.2186, 19232.98)(350.7138, 141.16)(351.222, 4889.65) 64.03 Khelmarin D 15.312223 FindByFormula 36 HMDB41394 Esi- 488.1492 95795 (975.2768, 871.31)(976.2949, 575.46)(487.1411, 7389.11)(488.1508, 4109.92)(489.1448, 3451.62)(490.1329, 196.83) 50.95 Kikkanol A Esi-11.870001 11.870001 FindByFormula 7 Esi- C17603 254.1873 71808 (253.1822, 7658.68)(254.1858, 1719.47) 72.47 Kikkanol A 14.026055 FindByFormula 36 Esi- C17603 254.1876 71808 (253.1803, 58276.83)(254.1836, 10684.36)(255.1841, 1377.52) 97.17 Kiwiionoside 18.805 FindByFormula 8 HMDB38691 Esi- 932.4859 93346 (465.2343, 10357.86)(466.2354, 3060.03) 70.44 Kni 102 Esi-14.574 14.574 FindByFormula 10 Esi- C15654 595.3077 70999 (1189.6274, 21878.06)(594.2943, 22755.1)(595.3001, 22543.23) 47.31 Kni 102 Esi-17.123 17.123 FindByFormula 1 Esi- C15654 641.3086 70999 (640.3009, 176149.56)(641.3046, 62413.84) 66.6 Kni 102 Esi-14.021692 14.021692 FindByFormula 26 Esi- C15654 595.2998 70999 (1190.6204, 1042.17)(1192.627, 9357.97)(594.2917, 51642.26)(595.2954, 23281.91)(596.2898, 9830.24) 67.16 Kni 102 Esi-14.802616 14.802616 FindByFormula 26 Esi- C15654 595.3006 70999 (594.2967, 99002.01)(595.3006, 43470.46)(596.3034, 12367.71) 73.37 Kni 102 Esi-13.425002 13.425002 FindByFormula 16 Esi- C15654 655.3256 70999 (654.3184, 38811.95)(655.3196, 13940.41)(656.3137, 3964.75) 76.21 Kni 102 16.535416 FindByFormula 29 Esi- C15654 641.2996 70999 (1281.6395, 2013.16)(1282.6455, 1368.36)(1283.6451, 2482.82)(640.2988, 196632.42)(641.3022, 75193.3)(642.3033, 36686.51) 85.33 Kukoamine D 13.1558485 FindByFormula 26 Esi- C17618 530.3101 71821 (529.304, 63100.53)(530.3068, 17540.84)(531.308, 4981.43) 93.91 Kurilensoside J 19.376429 FindByFormula 14 Esi- LMST05050020 732.4297 84940 (731.4221, 8616.51)(732.4277, 4788.03)(733.4343, 4107.94)(734.4399, 746.02)(735.4312, 2124.04)(736.4312, 845.23)(737.4377, 1067.47) 62.1 Kurziflavolactone D 17.9905 FindByFormula 20 Esi- LMPK12140162 526.1946 52651 (262.095, 734.86)(525.189, 6064.64)(526.1986, 3176.07)(527.1942, 1479.09) 63.88 Kuwanol E Esi-15.122 15.122 FindByFormula 2 HMDB35941 Esi- 1420.5522 91127 (709.2684, 20557.08)(710.2679, 9699.68) 57.24 Kuwanon R 13.947999 FindByFormula 9 HMDB30114 Esi- 1416.53 86730 (707.2547, 15606.37)(708.2501, 9527.33) 47.14 Kuwanon R Esi-13.948922 13.948922 FindByFormula 26 HMDB30114 Esi- 708.263 86730 (1415.5436, 1270.3)(1416.5133, 1666.9)(1417.5399, 2362.5)(1419.5049, 1404.57)(1421.5275, 796.46)(1422.5045, 889.24)(707.2539, 19599.23)(708.2528, 10301.77)(709.2487, 10291.67)(710.2518, 6277.31)(711.271, 8010.0) 55.22 Kuwanone H 13.666446 FindByFormula 36 Esi- C10100 760.2922 68131 (759.2848, 42438.85)(760.2857, 17509.11)(761.2835, 5368.75) 78.48 L-902,688 11.337148 FindByFormula 33 Esi- 419.2144 45077 (208.5906, 278.69)(418.2073, 4675.94)(419.204, 2260.55)(420.2113, 4403.02)(421.2127, 1113.49) 59.76 Labetalol Metabolite (b-D-Glucopyranosiduronic acid, 1-[3-(aminocarbonyl)-4-hydroxyphenyl]-2-[(1-met 0.9820835 FindByFormula 24 Esi- 504.2154 913 (503.2046, 6970.35)(504.2056, 2060.11)(505.2021, 865.38) 78.95 Lablaboside F 16.117002 FindByFormula 10 HMDB31961 Esi- 1514.71 88073 (756.3466, 16276.19)(756.8482, 168.83)(757.3461, 6761.93) 43.91 LacCer(d18:0/26:1) 14.106 FindByFormula 5 Esi- LMSP0501AB20 1047.7733 83824 (1046.7692, 6993.53)(1047.7698, 5351.54)(1048.7767, 4112.7)(1049.7762, 3043.59)(1050.7698, 1443.41) 53.24 Lacinilene C 7-methyl ether 4.066057 FindByFormula 36 Esi- C09695 260.1442 67889 (259.1371, 40957.18)(260.1397, 6265.2)(261.1433, 908.22) 72.04 Lacto-N-fucoheptaose 20.423002 FindByFormula 6 HMDB06643 Esi- 1338.488 58506 (668.2337, 5715.8)(668.7355, 774.55)(669.2364, 2591.27) 70.71 Lanceotoxin A 13.156201 FindByFormula 15 Esi- C08872 666.2962 67237 (665.2822, 17361.67)(666.2816, 7428.58)(667.2782, 2381.48) 76.34 Lansioside A 16.77646 FindByFormula 13 HMDB35101 Esi- 719.452 90442 (718.4491, 22521.99)(719.4527, 10952.48)(720.4542, 5789.52) 58.99 Lansoprazole Esi-0.84076947 0.84076947 FindByFormula 26 HMDB05008 Esi- D00355 369.0828 919 (737.1718, 1083.46)(368.0716, 44010.48)(369.0664, 12744.42)(370.0724, 9151.49) 58.33 Lansoprazole 6.096612 FindByFormula 36 HMDB05008 Esi- D00355 369.077 919 (368.0689, 37781.92)(369.0713, 7146.59)(370.073, 2292.12) 94.76 Lappaconitine 16.529337 FindByFormula 15 Esi- C08694 644.3162 67128 (643.3223, 24047.08)(644.3214, 10037.9)(645.3224, 8977.09) 42.16 L-Arogenate 4.6445 FindByFormula 18 Esi- C00826 227.0839 63566 (226.0749, 6375.98)(227.0732, 1457.65) 44.31 L-Ascorbic acid 1.2209998 FindByFormula 7 HMDB00044 Esi- C00072 176.0296 249 (351.0479, 3542.99)(352.0654, 1214.98)(353.0654, 497.95)(175.0233, 18599.17)(176.0236, 779.91) 69.38 Laserpitin 11.694 FindByFormula 6 Esi- C09697 450.2625 67891 (449.2556, 5856.25)(450.2586, 2091.49)(451.2521, 2521.0) 58.31 Lasiodine A 15.323998 FindByFormula 16 Esi- C10008 759.3866 68087 (1517.775, 409.51)(1518.717, 286.82)(758.378, 5082.65)(759.393, 3629.66)(760.3691, 7760.67) 38.63 Latanoprost (free acid)-d4 Esi-18.924002 18.924002 FindByFormula 20 Esi- 394.2711 96570 (787.5384, 7261.73)(393.2604, 7594.5)(394.2659, 1892.46)(395.2525, 1713.52) 59.88 Latanoprost (free acid)-d4 19.086996 FindByFormula 30 Esi- 394.2763 96570 (787.5423, 7912.22)(393.2601, 10310.25)(394.2629, 2485.87)(395.2576, 1046.55) 79.02 Latanoprost-d4 18.399998 FindByFormula 10 Esi- 482.3212 96388 (481.3077, 3663.55)(482.3156, 1597.19)(483.3175, 10945.67)(484.3193, 4658.55) 59.12 Latrunculin A 17.9995 FindByFormula 22 Esi- C16901 481.2159 64706 (480.2089, 18401.52)(481.2086, 6057.24)(482.2102, 1381.34) 77.51 Laurencione diacetate 4.9777994 FindByFormula 15 Esi- 200.0698 65391 (199.0627, 8614.28)(200.0641, 857.01)(201.0707, 115.19) 86.2 Lauryl hydrogen sulfate Esi-22.029 22.029 FindByFormula 5 HMDB05004 Esi- C11166 266.155 58284 (265.1478, 18941.58)(266.1497, 2870.48) 73.96 Lauryl hydrogen sulfate Esi-21.017363 21.017363 FindByFormula 11 HMDB05004 Esi- C11166 266.1549 58284 (265.1465, 30515.5)(266.1483, 4422.07)(267.1421, 2892.24) 78.99 Lauryl hydrogen sulfate Esi-21.026402 21.026402 FindByFormula 5 HMDB05004 Esi- C11166 266.154 58284 (265.1474, 27990.96)(266.1502, 4616.25)(267.1466, 1679.51) 96.83 Lauryl hydrogen sulfate Esi-20.184002 20.184002 FindByFormula 10 HMDB05004 Esi- C11166 266.1552 58284 (265.148, 44070.73)(266.1507, 7384.88)(267.1461, 3417.92) 97.28 Lauryl hydrogen sulfate Esi-23.736 23.736 FindByFormula 6 HMDB05004 Esi- C11166 266.1633 58284 (533.2922, 16684.83)(265.1481, 88054.39)(266.1508, 13959.69)(267.1459, 5525.0) 98.43 Lauryl hydrogen sulfate 23.754053 FindByFormula 36 HMDB05004 Esi- C11166 266.1546 58284 (531.2767, 2883.92)(533.2923, 17264.23)(265.1479, 102073.45)(266.1506, 15952.46)(267.1459, 6826.23) 98.67 Lauryl hydrogen sulfate Esi-20.359999 20.359999 FindByFormula 25 HMDB05004 Esi- C11166 266.1555 58284 (265.1479, 58799.09)(266.1507, 8875.66)(267.1462, 3776.02) 99.25 L-Cyclo(alanylglycyl) 0.75799996 FindByFormula 9 HMDB31547 Esi- 128.0582 87756 (255.1189, 1328.79)(127.0527, 22772.31)(128.0631, 629.41) 62.33 Leflunomide Esi-3.274 3.274 FindByFormula 8 Esi- C07905 316.0669 66762 (315.0593, 16364.27)(316.0713, 2342.46)(317.0595, 10389.91)(318.0639, 2661.86) 43.2 Leoidin Dimethyl Ether 0.945 FindByFormula 5 Esi- 560.0878 44092 (279.0357, 149208.61)(279.5302, 173.58) 58.29 Leonoside B 15.161 FindByFormula 10 HMDB40343 Esi- 830.2872 94859 (829.2757, 16011.71)(830.2734, 8216.56)(831.2655, 3049.34) 49.99 Lesquerolic acid 19.083666 FindByFormula 36 Esi- LMFA01050117 326.2803 35494 (325.2761, 14797.61)(326.279, 3509.2)(327.2805, 1109.08) 89.61 Lesquerolic acid Esi-18.764057 18.764057 FindByFormula 19 Esi- LMFA01050117 326.2802 35494 (325.2739, 19981.21)(326.2765, 4490.34)(327.2793, 640.3) 95.35 Lesquerolic acid Esi-18.919157 18.919157 FindByFormula 26 Esi- LMFA01050117 326.2802 35494 (325.2739, 19981.21)(326.2765, 4490.34)(327.2793, 640.3) 95.35 Leu Asp 1.6781169 FindByFormula 34 Esi- 246.1209 23753 (245.1128, 12455.68)(246.1136, 2072.69)(247.12, 590.31) 75.57 Leu Cys Tyr 18.707964 FindByFormula 29 Esi- 397.1675 18833 (396.161, 16324.16)(397.164, 5566.3)(398.1599, 1787.27) 79.62 Leu Gln Val 14.108782 FindByFormula 36 Esi- 404.2186 16253 (403.2181, 24285.81)(404.2208, 7162.34)(405.2264, 2285.44) 75.57 Leu Glu Gln 10.835251 FindByFormula 16 Esi- 388.1968 23465 (193.0914, 6567.61)(193.5998, 53.03)(194.0915, 1066.3) 64.19 Leu His Asn 9.894834 FindByFormula 36 Esi- 382.1987 16850 (381.1925, 14435.85)(382.1955, 3615.44)(383.1881, 5855.8)(384.189, 1816.61)(385.1964, 453.4) 61.47 Leu His Asn Esi-0.652 0.652 FindByFormula 2 Esi- 382.1919 16850 (381.1867, 9953.73)(382.1932, 1561.76) 64.8 Leu Ile Gln 18.226332 FindByFormula 30 Esi- 372.2305 23338 (371.2305, 88346.53)(372.2336, 23811.46)(373.236, 3751.7) 91.61 Leu Lys Ser 17.566309 FindByFormula 26 Esi- 346.2204 23597 (345.2125, 8768.88)(346.2149, 2491.49)(347.2179, 164.29) 73.26 Leucadenone D 23.29033 FindByFormula 24 Esi- LMPK12140155 586.2169 52644 (585.2091, 70535.02)(586.2131, 33053.57)(587.214, 10390.98) 67.82 Leukotriene B4-3-aminopropylamide Esi-17.563002 17.563002 FindByFormula 10 Esi- 392.3015 63034 (391.293, 11338.44)(392.2982, 3508.43) 54.91 Leukotriene B4-3-aminopropylamide Esi-12.382003 12.382003 FindByFormula 25 Esi- 392.3036 63034 (195.1442, 14118.38)(195.6437, 280.03)(196.1463, 2618.72)(391.2945, 13788.46)(392.2987, 4628.32)(393.2983, 770.42) 65.92 Leukotriene B4-3-aminopropylamide Esi-11.867218 11.867218 FindByFormula 36 Esi- 512.3461 63034 (255.1663, 23600.83)(255.671, 120.62)(256.1699, 4434.7) 67.26 Leukotriene B4-3-aminopropylamide Esi-13.529001 13.529001 FindByFormula 10 Esi- 392.3036 63034 (783.5974, 3413.95)(784.593, 2213.07)(195.1417, 824.4)(391.2942, 161935.06)(392.2983, 40676.8)(393.3012, 7125.98)(394.3037, 1064.09) 87.17 Leukotriene B4-3-aminopropylamide Esi-11.71 11.71 FindByFormula 12 Esi- 392.3 63034 (783.5981, 731.26)(784.5966, 483.77)(391.2947, 15060.59)(392.2989, 4240.62)(393.2969, 663.65) 88.51 Leukotriene B4-3-aminopropylamide 13.448558 FindByFormula 18 Esi- 438.3071 63034 (437.3015, 28616.13)(438.3043, 9151.97)(439.3069, 2083.72) 94.22 Leukotriene B4-3-aminopropylamide Esi-13.5269985 13.5269985 FindByFormula 20 Esi- 438.3057 63034 (437.3018, 43101.27)(438.3041, 13745.21)(439.3084, 3025.14) 94.63 Leukotriene B4-3-aminopropylamide Esi-13.272002 13.272002 FindByFormula 15 Esi- 438.3053 63034 (437.302, 73130.93)(438.3044, 22468.2)(439.3066, 4311.86) 96.59 Leukotriene B4-3-aminopropylamide Esi-11.704637 11.704637 FindByFormula 33 Esi- 438.307 63034 (437.3022, 79640.47)(438.305, 24652.62)(439.3077, 5012.41) 97.28 Leukotriene B4-3-aminopropylamide Esi-11.701998 11.701998 FindByFormula 20 Esi- 438.3064 63034 (437.3023, 85312.04)(438.3052, 26102.1)(439.3087, 5495.89) 97.57 Leukotriene D4 methyl ester Esi-13.571001 13.571001 FindByFormula 10 Esi- 570.3009 45049 (569.291, 38525.16)(570.287, 5492.53)(571.3089, 5696.61) 48.53 Leukotriene D4 methyl ester 13.770625 FindByFormula 16 Esi- 570.2956 45049 (569.2887, 35071.66)(570.2918, 11403.68)(571.3026, 3727.28) 88.13 Leukotriene D4-d5 Esi-14.724852 14.724852 FindByFormula 26 Esi- 547.3015 96385 (546.2939, 90239.72)(547.2971, 27626.33)(548.3034, 7148.75) 65.45 Leukotriene D4-d5 13.790223 FindByFormula 36 Esi- 501.2957 96385 (1001.5811, 24592.19)(1002.58, 15080.37)(1003.5738, 5955.21)(500.2874, 1557377.2)(501.2917, 507054.62)(502.2971, 56893.04) 67.76 Leukotriene E4-d5 13.224335 FindByFormula 30 Esi- 444.2713 96401 (443.2634, 13812.46)(444.2668, 3573.06)(445.2691, 1245.4) 93.17 Leukotriene F4 13.729998 FindByFormula 7 HMDB06465 Esi- C06462 LMFA03020009 1228.5634 3600 (613.277, 19506.21)(614.276, 9877.21) 29.03 L-Glyceric acid 0.8028287 FindByFormula 35 Esi- LMFA01050409 106.0261 45857 (211.0394, 1192.3)(105.0189, 65008.94)(106.0226, 2750.3)(107.0192, 97.08) 98.17 Linoleyl arachidonate 19.121 FindByFormula 10 Esi- LMFA07010160 612.5069 97146 (611.501, 8328.93)(612.5056, 3614.86)(613.517, 1417.69) 74.31 Lipoxin C4 17.017 FindByFormula 10 Esi- LMFA03040004 641.2969 45970 (640.2883, 470461.2)(641.2942, 122804.21)(642.2947, 49567.5) 78.65 Lipoxin C4 Esi-16.969027 16.969027 FindByFormula 33 Esi- LMFA03040004 641.3006 45970 (1281.6523, 2023.1)(1282.6486, 1587.61)(1283.6418, 2619.82)(640.2923, 113724.41)(641.2945, 51787.64)(642.2951, 20863.9)(643.3035, 11617.21)(644.3031, 4651.33) 83.84 Lipoxin C4 Esi-14.362997 14.362997 FindByFormula 22 Esi- LMFA03040004 701.3211 45970 (700.3143, 127226.68)(701.317, 45383.19)(702.3166, 15861.37)(703.3092, 4864.0) 94.16 Lipoxin C4 Esi-14.214115 14.214115 FindByFormula 36 Esi- LMFA03040004 701.3131 45970 (700.3139, 82267.15)(701.3162, 30295.78)(702.3159, 12710.69)(703.3109, 4190.04) 95.43 Liriodenine 1.9191725 FindByFormula 29 Esi- C09567 321.0657 67809 (320.0591, 22815.72)(321.06, 3451.03)(322.063, 1025.26) 71.3 Liriodenine Esi-1.872 1.872 FindByFormula 9 Esi- C09567 321.0661 67809 (320.0589, 21749.29)(321.0602, 3324.88)(322.0507, 905.27) 71.47 L-Isoleucine Esi-0.98600006 0.98600006 FindByFormula 25 HMDB00172 Esi- C00407 LMFA01100047 131.0944 23 (261.1891, 278.65)(130.0865, 37727.73)(131.0862, 5013.71)(132.0815, 121.01) 70.7 L-Isoleucine 1.2095003 FindByFormula 36 HMDB00172 Esi- C00407 LMFA01100047 131.0941 23 (261.189, 225.26)(130.0869, 32568.98)(131.0885, 3721.68)(132.0904, 199.12) 87.31 Lisuride 23.75683 FindByFormula 36 Esi- 398.2296 1010 (795.4485, 1171.72)(397.2248, 14197.05)(398.2254, 3676.1)(399.2239, 1410.48) 76.9 Lithocholic acid taurine conjugate Esi-13.262 13.262 FindByFormula 3 HMDB00722 Esi- C02592 LMST05040003 529.3081 5690 (528.3005, 35190.04)(529.3086, 15071.07)(530.3015, 14691.85)(531.3013, 5050.89) 60.64 Lithocholic acid taurine conjugate Esi-15.662999 15.662999 FindByFormula 3 HMDB00722 Esi- C02592 LMST05040003 1058.6118 5690 (528.2988, 22075.59)(529.3046, 8111.62) 61.21 Lithocholic acid taurine conjugate Esi-13.403336 13.403336 FindByFormula 30 HMDB00722 Esi- C02592 LMST05040003 529.3057 5690 (528.2995, 42519.54)(529.3056, 14890.89)(530.2999, 15957.51)(531.2999, 5565.74)(532.3046, 2145.18) 66.67 Lithocholic acid taurine conjugate Esi-13.663893 13.663893 FindByFormula 36 HMDB00722 Esi- C02592 LMST05040003 529.3112 5690 (528.3009, 205875.2)(529.3036, 67033.84)(530.2983, 81858.23)(531.3007, 25159.04)(532.3025, 4869.51)(533.3065, 2103.21) 66.68 Lithocholic acid taurine conjugate Esi-13.664846 13.664846 FindByFormula 26 HMDB00722 Esi- C02592 LMST05040003 529.3081 5690 (528.3012, 152516.55)(529.3039, 48040.29)(530.299, 60950.41)(531.3015, 17586.46)(532.3045, 3935.72)(533.3123, 1083.83) 67.53 Lithocholic acid taurine conjugate 13.736996 FindByFormula 36 HMDB00722 Esi- C02592 LMST05040003 529.3145 5690 (528.3005, 279974.5)(529.3049, 69056.36)(530.2999, 88528.91)(531.3019, 25139.6)(532.3044, 5639.76) 69.63 Lividomycin B Esi-13.670999 13.670999 FindByFormula 8 Esi- C18003 599.297 71999 (1197.578, 2113.35)(1198.5795, 2439.51)(598.29, 32089.52) 26.42 Lividomycin B 15.030001 FindByFormula 10 Esi- C18003 599.2427 71999 (1197.7885, 347.09)(1200.7969, 195.01)(598.2917, 103557.49)(599.2992, 32583.36)(600.2905, 40541.48)(601.2927, 11440.92) 41.19 Lividomycin B Esi-15.033 15.033 FindByFormula 6 Esi- C18003 599.2981 71999 (598.2898, 69652.4)(599.3057, 28130.22)(600.2909, 28332.18)(601.2943, 8024.42) 47.47 Lividomycin B Esi-15.012224 15.012224 FindByFormula 36 Esi- C18003 599.2986 71999 (598.2904, 92219.04)(599.3025, 31685.8)(600.2899, 37472.9)(601.2936, 10729.34)(602.2958, 2977.36)(604.283, 896.19) 52.98 Lividomycin B Esi-14.844177 14.844177 FindByFormula 34 Esi- C18003 599.2998 71999 (1197.6646, 1255.84)(1198.6594, 381.22)(598.2959, 125709.23)(599.3006, 41965.03)(600.294, 51643.86)(601.2965, 14946.97)(602.3004, 4092.73) 62.1 Lochnericine 12.553123 FindByFormula 16 Esi- C11676 398.1814 64314 (397.1771, 15730.29)(398.1802, 3965.91)(399.1803, 1518.03) 89.86 Loganin pentaacetate 17.998999 FindByFormula 36 Esi- C11663 LMPR0102070030 600.2063 41175 (599.1982, 20195.84)(600.2018, 6622.92)(601.2076, 2189.26) 93.13 Losartan N2-glucuronide 18.392076 FindByFormula 13 HMDB13847 Esi- 598.1958 85283 (597.1895, 7050.55)(598.1923, 3762.71)(599.1938, 2467.74) 50.2 Lovastatin acid (Mevinolinic acid) Esi-19.048666 19.048666 FindByFormula 15 Esi- 422.2646 1037 (421.2582, 23966.07)(422.2619, 6773.49)(423.2574, 5119.64) 54.77 Lovastatin acid (Mevinolinic acid) 19.102571 FindByFormula 28 Esi- 422.2712 1037 (421.2573, 12784.44)(422.2607, 3610.01)(423.2619, 2753.07)(424.2549, 968.92) 55.3 Lovastatin acid (Mevinolinic acid) Esi-19.758 19.758 FindByFormula 2 Esi- 422.2642 1037 (421.2575, 12066.98)(422.2608, 2996.28) 72.63 Lucyoside K 18.226336 FindByFormula 15 HMDB41353 Esi- 692.4249 95759 (691.4074, 34478.39)(692.4091, 12405.12)(693.412, 3449.66) 93.49 Lumiracoxib 6.4671993 FindByFormula 15 HMDB15403 Esi- 293.062 85489 (292.0532, 10839.51)(293.056, 2951.11) 51.77 Lupalbigenin 18.835606 FindByFormula 25 Esi- LMPK12050190 406.1801 47702 (405.1715, 332121.47)(406.1766, 78445.77)(407.1772, 22120.86) 90.16 Lupiwighteone hydrate 7-glucoside 15.305836 FindByFormula 36 HMDB34813 Esi- 518.1821 90217 (517.1723, 15446.97)(518.1778, 7267.6)(519.1804, 2606.14) 67.87 Lupiwighteone hydrate 7-glucoside Esi-0.651 0.651 FindByFormula 4 HMDB34813 Esi- 518.1717 90217 (517.1693, 15492.58)(518.1726, 4660.46) 68.55 Luteoskyrin 18.844332 FindByFormula 9 Esi- C16763 574.1099 71323 (573.1017, 10741.22)(574.1041, 5419.73)(575.1101, 2355.32) 67.53 Lycoctonine 14.098281 FindByFormula 25 Esi- C08697 527.3056 67131 (1054.5669, 4950.01)(1055.5605, 4095.64)(526.3028, 610243.6)(527.3143, 105429.94)(528.3133, 45611.2)(529.3142, 11870.47) 57.73 Lycoctonine Esi-14.8099985 14.8099985 FindByFormula 12 Esi- C08697 527.2989 67131 (1053.5918, 1074.63)(1054.5997, 816.04)(526.304, 774570.7)(527.3116, 141872.7)(528.3141, 36124.58)(529.319, 6387.9) 60.24 Lycoctonine Esi-14.408003 14.408003 FindByFormula 15 Esi- C08697 527.3115 67131 (526.3032, 91524.57)(527.3065, 30661.1)(528.3136, 20086.05) 66.3 Lycoctonine Esi-14.404003 14.404003 FindByFormula 18 Esi- C08697 527.3209 67131 (526.3024, 190134.92)(527.3065, 55315.23)(528.3136, 31945.87) 73.84 Lycoperdic acid 4.9856653 FindByFormula 18 HMDB30417 Esi- 217.0601 86958 (216.0537, 9871.94)(217.0494, 837.81) 65.06 Lys Ala Ile 15.729497 FindByFormula 36 Esi- 390.2479 23341 (389.2405, 49232.47)(390.2438, 12882.74)(391.2449, 2938.66) 93.13 Lys Gln Ile 16.407188 FindByFormula 16 Esi- 433.2533 16610 (432.248, 14565.26)(433.2498, 10354.51)(434.252, 3104.82) 66.56 Lys Gln Lys 5.569923 FindByFormula 13 Esi- 402.2587 22767 (401.2505, 12235.08)(402.252, 3212.26)(403.2581, 860.67) 85.38 Lys Glu Tyr 18.392664 FindByFormula 12 Esi- 484.2154 21917 (483.2075, 7523.55)(484.2142, 2105.19) 67.99 Lys Leu Ser 19.115002 FindByFormula 10 Esi- 392.2286 21591 (391.2185, 8173.15)(392.2202, 2377.13) 61.86 Lys Lys Arg Esi-16.804998 16.804998 FindByFormula 10 Esi- 980.6268 21308 (489.3127, 16629.39)(490.3158, 5287.29) 60.68 Lys Lys Arg 16.826002 FindByFormula 6 Esi- 490.3241 21308 (489.3168, 32482.61)(490.3203, 9127.37)(491.3272, 3055.94) 79.2 Lys Lys Asp 18.227 FindByFormula 36 Esi- 389.2272 22550 (777.4645, 549.95)(778.4549, 371.19)(388.2205, 20337.04)(389.2221, 5472.53)(390.2233, 1084.45) 88.72 Lys Lys Ser 15.727027 FindByFormula 31 Esi- 407.2363 21035 (406.2306, 6911.14)(407.2305, 1868.24)(408.2314, 587.23) 75.51 Lys Met Asn 10.559419 FindByFormula 24 Esi- 437.1934 21972 (436.1859, 7339.88)(437.1895, 1531.76)(438.1769, 1097.79) 69.31 Lys Phe Gln 7.78 FindByFormula 2 Esi- 467.2386 22733 (466.2326, 4548.76)(467.2412, 1315.98) 50.5 Lys Phe Thr 18.22583 FindByFormula 34 Esi- 440.2204 17006 (879.4275, 1724.45)(880.4238, 958.59)(881.4393, 829.6)(439.2197, 45584.19)(440.2227, 13059.58)(441.2219, 3133.87) 92.9 Lys Ser Asp 11.98 FindByFormula 9 Esi- 348.1604 18827 (347.1553, 7508.27)(348.1565, 1635.62) 62.35 Lys Thr Asp 11.858414 FindByFormula 24 Esi- 362.1793 16427 (361.1734, 7049.18)(362.1715, 2361.12)(363.1863, 648.71) 58.05 Lys Val Val Esi-15.215776 15.215776 FindByFormula 36 Esi- 344.239 18628 (343.2319, 909958.8)(344.2392, 119762.98)(345.2415, 20357.08)(346.2457, 2449.44) 65.64 Lys Val Val 15.217052 FindByFormula 36 Esi- 344.2341 18628 (343.233, 1004526.2)(344.2403, 130001.88)(345.243, 21770.09)(346.2476, 3365.03) 75.47 LysoPE(0:0/16:0) Esi-14.242223 14.242223 FindByFormula 36 HMDB11473 Esi- 453.2833 62261 (452.2743, 692931.0)(453.2817, 98020.68)(454.2835, 19228.95)(455.2867, 3009.46) 56.48 LysoPE(0:0/16:0) 14.550328 FindByFormula 36 HMDB11473 Esi- 453.2832 62261 (905.5624, 6672.82)(906.5613, 4014.9)(907.5579, 1502.19)(908.5486, 763.51)(452.2798, 1229859.1)(453.2864, 204261.62)(454.2889, 34852.61)(455.291, 5176.67)(456.2871, 754.86) 74.92 LysoPE(0:0/18:0) Esi-14.043 14.043 FindByFormula 4 HMDB11129 Esi- 527.3273 61992 (526.3165, 406853.25)(527.3231, 76317.62)(528.319, 27070.27) 74.28 LysoPE(0:0/18:0) 14.565554 FindByFormula 36 HMDB11129 Esi- 481.3197 61992 (961.6312, 1193.75)(962.5424, 18067.19)(964.5532, 10950.58)(480.3139, 80841.36)(481.3173, 21613.09)(482.3185, 4181.64)(483.1638, 297.12) 76.14 LysoPE(18:1(11Z)/0:0) 15.01661 FindByFormula 36 HMDB11505 Esi- 479.2976 62291 (957.5947, 2136.39)(959.6048, 702.75)(478.2897, 1023220.7)(479.2962, 180316.72)(480.3057, 169049.17)(481.3104, 32820.94) 49.15 LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0) Esi-14.047751 14.047751 FindByFormula 8 HMDB11518 Esi- 501.2839 62302 (1001.5653, 154035.5)(1002.5675, 93756.32)(500.2756, 1105697.5)(501.2812, 248818.03)(502.2858, 41407.14) 81.98 LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0) 14.0236435 FindByFormula 34 HMDB11518 Esi- 501.2852 62302 (1001.5702, 73899.2)(500.2777, 1074032.0)(501.2839, 205716.9)(502.2873, 38817.49) 82.6 LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) Esi-14.593262 14.593262 FindByFormula 23 HMDB11525 Esi- 527.3024 62309 (526.2974, 573150.94)(527.3042, 123989.8)(528.3067, 26847.29) 58.31 LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 14.807556 FindByFormula 36 HMDB11525 Esi- 527.3026 62309 (1053.6045, 1749.39)(1054.5964, 1027.98)(526.2948, 969329.8)(527.3003, 236211.94)(528.3051, 41647.3) 86.73 LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) Esi-13.987215 13.987215 FindByFormula 36 HMDB11529 Esi- 613.3347 62313 (1225.6493, 1691.9)(1226.653, 778.98)(1227.5679, 9950.49)(612.3282, 1234731.2)(613.3322, 428245.66)(614.3365, 68108.2)(615.336, 12557.15) 89.7 LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) 14.200115 FindByFormula 36 HMDB11529 Esi- 613.3351 62313 (612.329, 1104232.1)(613.3335, 364546.3)(614.3388, 60530.61)(615.3387, 11194.37)(616.3259, 576.49) 93.97 M(IP)2C(d18:0/16:0) 15.456251 FindByFormula 16 Esi- LMSP03030114 1231.627 103243 (1230.618, 15989.11)(1231.617, 9655.96)(1232.6228, 7081.32)(1233.6183, 3274.8) 70.34 M(IP)2C(d18:0/16:0) Esi-15.441 15.441 FindByFormula 10 Esi- LMSP03030114 2463.256 103243 (1230.6193, 8860.98)(1231.6195, 6072.8)(1232.6215, 4184.85)(1233.6202, 2369.15) 70.76 Macaflavone II 18.264 FindByFormula 4 Esi- LMPK12111565 434.1765 49984 (433.1655, 22562.64)(434.1663, 6379.99)(435.1647, 1236.99) 87.99 Machaerol C 0.82399994 FindByFormula 8 Esi- LMPK12080043 348.1181 48287 (173.0548, 26604.48)(173.5564, 30.95)(347.1057, 1967.71) 36.37 Macrocarpal C 23.677 FindByFormula 6 HMDB38705 Esi- 454.2717 93360 (453.2642, 8668.85)(454.2635, 3402.17)(455.269, 873.05) 76.46 Magnesium protoporphyrin monomethyl ester 14.565221 FindByFormula 36 Esi- C04536 658.2666 63927 (657.259, 38953.66)(658.2591, 17688.06)(659.2596, 4756.39) 72.98 MAHMA NONOate 12.702 FindByFormula 5 Esi- 264.179 62981 (263.1715, 5751.4)(264.1747, 1406.05) 63.07 makisterone B 23.756777 FindByFormula 26 Esi- C08829 LMST01031017 494.3246 57720 (987.6111, 1123.64)(988.6631, 637.79)(493.3159, 10218.56)(494.31, 2990.96)(495.3198, 12643.1)(496.3219, 4568.43)(497.3163, 1048.98)(498.2991, 359.69) 35.04 makisterone B Esi-14.750736 14.750736 FindByFormula 23 Esi- C08829 LMST01031017 494.327 57720 (493.3197, 11932.09)(494.3224, 3964.2)(495.3185, 1331.94) 78.85 Malyngamide L 9.75 FindByFormula 10 Esi- 513.288 65450 (512.2816, 15280.67)(513.2844, 5439.12) 42.72 Mangostinone 18.390198 FindByFormula 15 HMDB41292 Esi- 380.1625 95706 (189.0734, 368.54)(379.1557, 906991.0)(380.1597, 209702.81)(381.1639, 47682.68) 95.69 Marasmene 14.87655 FindByFormula 36 HMDB36035 Esi- 234.1631 91213 (233.1541, 34875.73)(234.1567, 6536.53)(235.157, 1061.79) 93.84 Marasmene Esi-14.875 14.875 FindByFormula 10 HMDB36035 Esi- 234.1618 91213 (233.1548, 35506.21)(234.1578, 6499.57)(235.1643, 1079.73) 97.69 Maraviroc 16.967224 FindByFormula 36 HMDB15584 Esi- 559.3378 85537 (558.3293, 854765.1)(559.3369, 153030.72)(560.3322, 182767.34)(561.334, 56485.29) 45.57 Maraviroc Esi-16.530228 16.530228 FindByFormula 26 HMDB15584 Esi- 559.3407 85537 (558.3302, 262396.7)(559.3358, 62959.16)(560.3308, 74332.15)(561.3329, 22020.88)(562.3344, 4911.5)(563.3362, 1218.57) 46 Margrapine A 14.480126 FindByFormula 8 HMDB31254 Esi- 401.15 87528 (400.1411, 5692.85)(401.1417, 991.2)(402.1494, 88.9) 85.97 Matesaponin 3 15.016 FindByFormula 7 HMDB40964 Esi- 1074.5635 95408 (1073.5519, 6920.56)(1074.5607, 5437.8) 53.76 Mauritine A 13.973 FindByFormula 5 HMDB29338 Esi- 635.3312 86200 (634.3292, 43846.13)(635.3299, 8281.74) 36.05 Mayolene-16 22.095 FindByFormula 10 Esi- LMFA07010015 532.4537 46549 (531.4388, 29180.12)(532.4418, 11753.81)(533.4545, 36618.22)(534.4575, 14158.74)(535.4608, 3322.36) 54.52 Mayolene-16 Esi-21.803219 21.803219 FindByFormula 18 Esi- LMFA07010015 532.4505 46549 (531.4417, 6906.92)(532.4474, 2307.6)(533.4525, 1997.81) 62.51 Mayolene-16 Esi-16.897999 16.897999 FindByFormula 10 Esi- LMFA07010015 624.4696 46549 (311.2236, 27233.37)(311.7263, 48.53)(312.2271, 5904.41) 65.85 Maytansine Esi-13.948095 13.948095 FindByFormula 32 Esi- C10606 LMPK04000017 691.2884 40981 (1381.5375, 1381.6)(1382.5231, 1572.19)(1383.542, 2352.78)(690.2788, 34557.01)(691.2788, 13514.71)(692.2771, 15054.86)(693.2736, 5820.18)(694.2862, 27925.83)(695.2904, 12300.79)(696.2939, 8571.75) 66.9 Maytansine Esi-13.949999 13.949999 FindByFormula 9 Esi- C10606 LMPK04000017 691.2847 40981 (1381.5518, 1498.47)(1382.5387, 786.36)(1383.5449, 2993.82)(1384.549, 2193.79)(1386.5713, 841.61)(690.2811, 28787.27)(691.2824, 10473.65)(692.2795, 12160.95)(693.2776, 4252.0)(694.2828, 20605.71)(695.2874, 9811.27)(696.2897, 9489.47) 69.32 Maytansine 14.358219 FindByFormula 36 Esi- C10606 LMPK04000017 691.2889 40981 (1381.5692, 3409.28)(1382.5562, 3075.16)(1383.5573, 2159.05)(690.2769, 48791.46)(691.28, 17537.54)(692.2758, 20438.41)(693.2795, 7401.93)(694.287, 29635.08)(695.2898, 12435.1)(696.2857, 7216.28) 69.96 Maytansine Esi-14.2845 14.2845 FindByFormula 20 Esi- C10606 LMPK04000017 691.2877 40981 (1382.5457, 1903.48)(1383.5471, 2147.15)(1384.5347, 1710.48)(1385.548, 2139.32)(1389.5725, 3421.01)(1390.5714, 2822.12)(1393.567, 1934.26)(690.277, 39306.62)(691.281, 14030.23)(692.2759, 17077.92)(693.2788, 5862.13)(694.2878, 39147.12)(695.2909, 15619.66)(696.2896, 8520.64) 70.96 MC-207,110 10.033715 FindByFormula 14 Esi- C11602 492.2435 69123 (491.2377, 9115.69)(492.2437, 3362.55)(493.244, 1135.53) 69.81 m-Chlorophenylbiguanide 0.78994304 FindByFormula 35 Esi- C13646 257.0639 69615 (513.1179, 2814.29)(256.0588, 219267.9)(257.0637, 19770.07)(258.0648, 68544.27)(259.0607, 3879.63)(260.0697, 10213.34) 77.56 MCPA-thioethyl 0.9553333 FindByFormula 12 Esi- C18741 304.055 72515 (303.0468, 6611.6)(304.0412, 1899.27)(305.0457, 3756.42) 64.7 MDL 73492 glucuronide 0.855 FindByFormula 7 Esi- 504.2117 2367 (503.2017, 7223.97)(504.1985, 2565.54) 43.64 Mebrofenin 0.6693333 FindByFormula 6 Esi- 446.0697 43234 (445.0638, 18488.6)(446.0746, 1504.42) 32.99 Mecarbinzid 0.79836 FindByFormula 25 Esi- C18942 368.114 72702 (367.1083, 43447.24)(368.11, 6680.47)(369.1161, 11581.92)(370.1311, 3660.66) 41.56 Mecarphon 6.650719 FindByFormula 25 Esi- C19005 331.0274 72756 (330.0209, 14781.23)(331.025, 2809.05)(332.0187, 5548.33) 46.43 Mechlorethamine 4.7070003 FindByFormula 8 Esi- C07115 215.0462 43236 (214.0392, 55249.42)(215.0406, 6266.11)(216.0455, 2473.99) 50.6 Mefruside 0.79 FindByFormula 3 Esi- 442.0797 1107 (441.0561, 8232.91)(442.0667, 2570.53) 42.6 Megalomicin B Esi-13.776 13.776 FindByFormula 3 Esi- C11986 LMPK04000027 1957.1664 40991 (977.5855, 6516.27)(978.5881, 4185.64) 42.39 Megalomicin B 13.779 FindByFormula 7 Esi- C11986 LMPK04000027 978.5852 40991 (977.577, 12569.43)(978.5796, 6937.54)(979.5841, 2406.39) 85.84 Megalomicin C1 14.543001 FindByFormula 9 Esi- C11987 LMPK04000028 1006.5832 40992 (1005.573, 11602.58)(1006.5764, 6231.94)(1007.5727, 5545.24)(1008.5703, 2812.41) 50.92 Megalomicin C1 Esi-14.65 14.65 FindByFormula 2 Esi- C11987 LMPK04000028 1006.5558 40992 (1005.5754, 10985.88)(1006.5767, 5939.32)(1007.5742, 5880.44) 60.81 Megestrol Esi-15.351 15.351 FindByFormula 9 HMDB14495 Esi- C07120 LMST02030177 342.2197 1112 (341.213, 9761.33)(342.215, 2470.05) 80.99 Megestrol 14.559351 FindByFormula 17 HMDB14495 Esi- C07120 LMST02030177 342.2178 1112 (341.212, 10265.99)(342.2143, 2558.65) 82.18 Melilotin 15.042689 FindByFormula 26 HMDB34527 Esi- 1134.6151 89996 (1133.6097, 16558.07)(1134.5983, 17231.03)(1135.5961, 10929.77)(1136.6124, 10718.82)(1137.618, 15208.62)(1138.6206, 9447.84)(1139.6115, 5051.91)(1141.629, 1455.95)(1144.6324, 3985.99)(1145.6426, 16379.57) 26.94 Melilotoside C 13.213999 FindByFormula 10 HMDB41466 Esi- 898.5277 95858 (448.2554, 42495.36)(448.7674, 387.65)(449.2576, 10844.09) 57.78 Melizame Esi-19.399 19.399 FindByFormula 3 HMDB29684 Esi- 178.0487 86423 (177.0417, 12041.6)(178.0503, 471.8) 71.91 Melizame 19.123 FindByFormula 15 HMDB29684 Esi- 178.049 86423 (177.0423, 15430.18)(178.0418, 900.27) 78.98 Melongoside L 14.843 FindByFormula 10 HMDB40962 Esi- 1256.6056 95406 (1255.5927, 7282.76)(1256.6077, 15126.57)(1257.6133, 9022.9)(1258.6133, 3695.03) 35.38 Meloxicam 0.781 FindByFormula 2 Esi- C08169 351.0079 44146 (350.0287, 26000.71)(351.023, 315.88) 55.07 Merphalan 0.821 FindByFormula 2 Esi- C19256 364.0946 72976 (363.0905, 8993.5)(364.0896, 3868.96)(365.0855, 5204.02) 59.89 Mesoporphyrin IX 6.2620006 FindByFormula 10 HMDB02379 Esi- 626.3111 6655 (625.305, 4195.37)(626.3084, 1894.11)(627.2999, 507.28) 85.72 Met Arg Arg 14.231114 FindByFormula 36 Esi- 521.2746 22261 (520.2658, 23475.57)(521.2697, 7180.08)(522.2792, 3488.99) 79.64 Met Arg His 18.647 FindByFormula 5 Esi- 442.2146 20973 (441.2069, 9251.37)(442.2089, 3397.82)(443.2032, 781.52) 61.6 Met Gln Thr 15.344847 FindByFormula 26 Esi- 424.1602 20640 (423.1523, 6973.99)(424.154, 2693.35)(425.1666, 2124.75) 59.68 Met Glu Trp 19.393 FindByFormula 9 Esi- 928.3402 19686 (463.1649, 5080.3)(464.1685, 8974.33) 58.84 Met Leu Trp 8.367599 FindByFormula 15 Esi- 448.2166 16020 (223.1001, 5732.03)(223.5982, 110.75)(224.1009, 640.57) 70.29 Met Pro Met 18.238 FindByFormula 9 Esi- 423.2233 23080 (847.5214, 3002.87)(849.2923, 1176.03)(422.1456, 9232.15)(423.1483, 3471.16)(424.145, 3838.2) 48.14 Met Tyr Phe Esi-18.509 18.509 FindByFormula 10 Esi- 459.1819 22734 (458.176, 5052.75)(459.1808, 2076.9) 57.43 Met Tyr Phe 18.796545 FindByFormula 29 Esi- 459.1835 22734 (458.1768, 23836.99)(459.1796, 9410.46)(460.1815, 2555.42) 74.64 Met-Abu-OH 1.2670001 FindByFormula 9 Esi- 342.0945 65293 (341.0846, 5110.83)(342.0802, 1290.21)(343.0754, 283.6) 63.53 Metalaxyl-M 14.017853 FindByFormula 33 Esi- C18626 339.1651 72420 (338.1584, 20660.39)(339.1618, 3440.12)(340.1636, 451.16) 79.81 Methacrifos 3.791 FindByFormula 10 Esi- C18745 240.0164 72519 (239.0144, 17897.87)(240.0174, 2272.26)(241.0127, 5922.8)(242.0115, 765.66) 70.48 Methamidophos 2.233 FindByFormula 9 Esi- C18667 201.0238 44566 (200.0162, 21272.87)(201.017, 1664.08) 69.31 Methaphenilene 5.5567985 FindByFormula 35 Esi- C11113 320.1539 68854 (319.1483, 43562.98)(320.1508, 8025.41)(321.1604, 3631.21) 87.26 Methional diethyl acetal Esi-9.087999 9.087999 FindByFormula 10 HMDB41608 Esi- 224.1098 95982 (223.1031, 28602.71)(224.1062, 4479.65) 53.78 Methional diethyl acetal 8.207726 FindByFormula 36 HMDB41608 Esi- 224.1075 95982 (223.1003, 31029.05)(224.1042, 4223.66)(225.1025, 1094.21) 91.86 Methionyl butyrate 7.8287945 FindByFormula 29 HMDB32378 Esi- 222.092 88405 (221.0845, 8429.59)(222.09, 810.57)(223.0874, 279.42) 88.47 Methionyl-Cysteine 1.5237503 FindByFormula 16 HMDB28970 Esi- 298.0622 85872 (595.0947, 7403.19)(596.1054, 3587.32)(297.0581, 80017.3)(298.0618, 9571.99)(299.0577, 5060.64) 91.6 Methionyl-Methionine 3.2770014 FindByFormula 36 HMDB28979 Esi- 326.0969 85881 (651.1685, 1418.51)(652.1807, 403.39)(325.0898, 53236.74)(326.0926, 7735.81)(327.0874, 1852.95) 86.97 Methiothepin 9.25 FindByFormula 9 Esi- 356.1382 44645 (355.1307, 9206.1)(356.1334, 2297.71)(357.1279, 1059.61) 97.47 Methitural 1.8449442 FindByFormula 36 Esi- C07558 288.0949 66681 (143.0322, 2571.04)(287.0896, 94966.89)(288.0923, 14474.71)(289.0916, 3970.8) 87.12 Methoprene acid 14.611385 FindByFormula 36 Esi- 268.2035 43446 (267.1961, 50926.2)(268.199, 10489.9)(269.2066, 2854.11) 91.09 Methoxybrassenin A 5.9751253 FindByFormula 16 HMDB38635 Esi- 326.0777 93296 (325.0703, 10340.43)(326.0703, 2182.92)(327.0689, 930.76) 82.04 Methoxychlor 5.646 FindByFormula 10 Esi- C11043 404.0327 44592 (403.0256, 8514.7)(404.027, 1825.13)(405.0219, 136.64) 53.38 Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside 15.216553 FindByFormula 36 HMDB40896 Esi- 444.1712 95349 (443.1591, 92036.65)(444.1628, 36085.63)(445.1649, 14095.37) 54.2 Methyl 3,4,5-trimethoxycinnamate 22.012 FindByFormula 4 HMDB38551 Esi- 252.0989 93223 (251.0907, 5650.88)(252.0959, 832.59)(253.1022, 132.34) 86.54 Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1-3)-[glucosyl-(1-6)]-glucosyl] ester 13.787001 FindByFormula 10 HMDB34756 Esi- 694.2364 90182 (1387.4786, 1828.83)(1389.4645, 1460.79)(693.2275, 7630.94) 38.3 Methyl 4-chloro-1H-indole-3-acetate Esi-5.3763795 5.3763795 FindByFormula 34 HMDB32937 Esi- 223.0388 88840 (222.0317, 23194.89)(223.035, 2399.15)(224.0291, 2550.46) 68.21 Methyl 4-chloro-1H-indole-3-acetate 1.8106668 FindByFormula 36 HMDB32937 Esi- 223.0369 88840 (222.0301, 35952.08)(223.0321, 4491.93)(224.0289, 12681.53)(225.0252, 1213.42)(226.033, 117.41) 73.88 Methyl 5-(1-Propynyl)-2-thiophenepropanoate 0.82099986 FindByFormula 24 HMDB34759 Esi- 208.0546 90185 (415.1159, 1744.94)(207.0471, 97439.99)(208.0495, 10073.54) 67.38 methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate 10.542 FindByFormula 3 Esi- LMFA01040054 442.2584 74479 (441.252, 20795.37)(442.2553, 6696.75)(443.2559, 11314.27)(444.2585, 3920.77) 61.4 Methyl Arachidonyl Fluorophosphonate 9.585055 FindByFormula 36 Esi- 370.2443 63064 (369.2382, 53733.88)(370.2416, 13486.75)(371.2447, 2879.62) 89.78 Methyl Arachidonyl Fluorophosphonate Esi-9.839999 9.839999 FindByFormula 10 Esi- 370.2437 63064 (369.238, 41022.97)(370.241, 10183.34)(371.2442, 2171.19) 92.07 Methyl Arachidonyl Fluorophosphonate Esi-9.5859995 9.5859995 FindByFormula 10 Esi- 370.244 63064 (369.2373, 50792.48)(370.2405, 12341.59)(371.2446, 2859.69) 95.66 Methyl hydrogen fumarate Esi-0.8059999 0.8059999 FindByFormula 9 HMDB33809 Esi- 130.0075 89545 (258.9852, 15303.46)(259.9836, 5233.95)(260.9811, 34708.38)(129.0176, 46544.2) 31.81 Methyl hydrogen fumarate 0.80799997 FindByFormula 10 HMDB33809 Esi- 130.0131 89545 (258.9846, 18113.7)(259.9853, 3192.71)(260.9807, 33298.42)(261.9791, 1650.78)(129.0175, 44544.82)(130.02, 2330.27) 69.11 Methyl hydrogen fumarate Esi-0.81276923 0.81276923 FindByFormula 13 HMDB33809 Esi- 130.0196 89545 (260.9807, 18156.39)(261.9853, 3519.08)(262.9758, 6642.1)(129.0176, 46544.2)(130.02, 2467.34) 70.39 Methyl N-methylanthranilate 1.8156667 FindByFormula 36 HMDB34169 Esi- 165.0785 89753 (164.071, 225412.7)(165.0749, 22065.34)(166.0761, 2305.57) 96.57 Methyl red 9.919159 FindByFormula 25 Esi- C19459 329.1373 73153 (328.13, 17057.58)(329.1326, 3928.76)(330.1399, 3176.37) 67.74 Methyl salicylate O-[rhamnosyl-(1-6)-glucoside] 15.314835 FindByFormula 12 HMDB33138 Esi- 460.1573 89024 (459.1484, 31219.21)(460.1536, 19592.74)(461.1543, 11685.13) 62.23 Methylcobalamin 14.217001 FindByFormula 10 HMDB02274 Esi- C06453 1436.5979 63586 (717.3, 32447.12)(717.7838, 328.89)(718.2985, 20192.86) 57.1 Methylergonovine 23.7545 FindByFormula 20 Esi- C07800 385.1993 1224 (384.1916, 43496.76)(385.1925, 12207.76)(386.1929, 1953.04) 81.25 Methyprylon 14.899999 FindByFormula 3 HMDB15239 Esi- 243.1487 85468 (242.142, 4918.49)(243.1349, 201.15) 44.97 Metixene 14.070444 FindByFormula 18 HMDB14484 Esi- 355.1586 85366 (354.1503, 11041.4)(355.1588, 5259.48)(356.1489, 814.5) 56.45 Metobromuron 0.93654555 FindByFormula 11 Esi- C18793 257.9987 72562 (256.995, 11029.95)(257.9932, 325.44)(258.9935, 18956.21) 53.39 Metominostrobin 20.400799 FindByFormula 35 Esi- C18559 284.1155 72364 (283.1081, 6555.43)(284.111, 1611.91)(285.1157, 2111.99) 68.77 Mezerein 14.0708 FindByFormula 15 Esi- C09134 654.2501 67456 (653.2397, 43357.2)(654.2393, 26689.29)(655.2419, 10335.42) 67.11 MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 18.685112 FindByFormula 18 HMDB11550 Esi- 376.2621 62333 (375.2542, 95652.38)(376.2571, 26949.14)(377.2594, 5447.25) 97.66 MG(18:1(11E)/0:0/0:0)[rac] 19.760897 FindByFormula 36 Esi- LMGL01010004 356.2917 4250 (355.285, 67752.36)(356.2882, 16725.16)(357.2866, 4259.47) 92.74 MG(18:1(11E)/0:0/0:0)[rac] Esi-20.621 20.621 FindByFormula 6 Esi- LMGL01010004 356.2926 4250 (355.2862, 25858.13)(356.2889, 6468.74)(357.2912, 1142.96) 97.24 MG(18:2(9Z,12Z)/0:0/0:0)[rac] Esi-19.755 19.755 FindByFormula 6 HMDB11568 Esi- LMGL01010006 708.5545 4252 (353.2677, 9198.42)(354.2715, 2423.37) 71.57 MG(18:2(9Z,12Z)/0:0/0:0)[rac] 19.756998 FindByFormula 21 HMDB11568 Esi- LMGL01010006 354.275 4252 (353.2702, 66590.38)(354.2732, 16872.34) 82.43 MG(22:1(13Z)/0:0/0:0) 19.5118 FindByFormula 15 HMDB11582 Esi- 412.3548 62364 (411.3518, 17917.0)(412.355, 5307.95)(413.3569, 1143.49) 73.41 MGDG(16:0/18:1(9Z)) 11.283 FindByFormula 2 Esi- LMGL05010025 876.6163 46661 (437.3013, 23981.39)(437.8101, 782.96)(438.305, 7586.4) 67.14 m-Hydroxydiphenyldimercury(1+) 5.445001 FindByFormula 19 HMDB31807 Esi- 562.0076 87940 (279.997, 44312.75)(280.4943, 304.84)(281.0006, 6621.77) 40.93 m-Hydroxydiphenyldimercury(1+) Esi-0.691 0.691 FindByFormula 10 HMDB31807 Esi- 608.006 87940 (606.9997, 41127.83)(608.0046, 5794.73) 43.56 Mibefradil Esi-11.611503 11.611503 FindByFormula 20 Esi- C07222 1082.5934 1276 (540.2879, 29094.66)(541.2923, 9699.75)(542.2946, 2682.75) 96.67 Mibefradil Esi-11.61038 11.61038 FindByFormula 26 Esi- C07222 541.2978 1276 (540.288, 29553.97)(541.2903, 9569.91)(542.2935, 2578.78) 97.35 Mibefradil 11.776174 FindByFormula 36 Esi- C07222 541.2966 1276 (540.2882, 103854.48)(541.2911, 34649.2)(542.2946, 7697.83)(543.2999, 1590.48) 99.36 Miconioside A 13.782377 FindByFormula 29 Esi- LMPK12140330 668.2364 52814 (667.2235, 10659.49)(668.2193, 4585.16)(669.2251, 7003.53)(670.2373, 8760.81)(671.2397, 7712.2) 58.21 Microcystin LR 15.324461 FindByFormula 13 Esi- C05371 994.5427 66313 (993.5372, 15605.95)(994.5373, 8920.5)(995.5342, 3933.43)(996.5536, 390.1) 61.35 Minabeolide-7 9.429 FindByFormula 9 Esi- LMST01160008 456.2842 84275 (227.1348, 54546.02)(227.6293, 328.57)(228.1381, 8288.05) 50.19 Minosaminomycin 15.936832 FindByFormula 12 Esi- C17969 678.3593 71965 (677.35, 18086.62)(678.3475, 6277.78)(679.3411, 2051.55) 79.53 Minoxidil-O-glucuronide 17.361347 FindByFormula 23 Esi- 431.1632 1320 (430.1576, 17941.79)(431.1624, 6342.64)(432.1624, 1845.46) 74.34 Mipafox Esi-8.878 8.878 FindByFormula 4 Esi- C19008 242.1192 72759 (241.1144, 9172.96)(242.1195, 1446.7) 50.17 Mipafox Esi-8.195 8.195 FindByFormula 10 Esi- C19008 456.2044 72759 (227.095, 21378.98)(228.0978, 2789.33) 69.46 Mipafox 8.198076 FindByFormula 26 Esi- C19008 228.1026 72759 (227.0951, 24987.51)(228.0988, 3208.23)(229.0911, 510.36) 79.58 Mipafox Esi-10.771502 10.771502 FindByFormula 16 Esi- C19008 242.1211 72759 (241.1139, 33168.46)(242.1168, 5100.14)(243.1168, 1119.55) 79.62 MIPC(t20:0/18:0(2OH)) 14.537 FindByFormula 6 Esi- LMSP03030091 2155.3184 103220 (1076.6484, 21680.59)(1077.6489, 14845.13)(1078.6473, 6661.16) 67 MIPC(t20:0/20:0(2OH)) Esi-15.387999 15.387999 FindByFormula 10 Esi- LMSP03030092 1105.7123 103221 (1104.686, 214202.45)(1105.691, 105441.52) 46.07 MIPC(t20:0/20:0(2OH)) 15.386169 FindByFormula 36 Esi- LMSP03030092 1105.6934 103221 (1104.6876, 161993.81)(1105.6914, 93566.31)(1106.694, 35971.64)(1107.6963, 9831.91)(1108.698, 2537.51) 78.43 MIPC(t20:0/20:0(2OH)) Esi-15.387 15.387 FindByFormula 6 Esi- LMSP03030092 1105.6989 103221 (1104.685, 213306.44)(1105.6895, 109599.14)(1106.6917, 43260.75)(1107.6934, 10957.01)(1108.6946, 3103.21) 86.68 MIPC(t20:0/24:0(2OH)) 16.997 FindByFormula 2 Esi- LMSP03030094 1161.7393 103223 (1160.7437, 48340.79)(1161.745, 19246.64)(1162.7433, 5326.28) 71.94 Misoprostol (free acid) 18.994999 FindByFormula 10 Esi- D00419 368.2597 1325 (367.2522, 15243.48)(368.2558, 3985.17)(369.2529, 1051.34) 71.72 Mitoxantrone dicarboxylic acid 19.119228 FindByFormula 26 Esi- 472.1615 752 (235.0809, 451.5)(471.1551, 5416.7)(472.1614, 2127.08)(473.1565, 3662.26)(474.1538, 1051.66)(475.1591, 777.08) 57.39 Momordicilin 15.657694 FindByFormula 13 HMDB30896 Esi- 540.4495 87264 (269.2188, 46558.07)(269.7167, 219.32)(270.222, 9209.4) 63.34 Monocrotaline 19.106998 FindByFormula 10 Esi- C10350 385.1849 44128 (384.1645, 33760.42)(385.1678, 11113.99)(386.1665, 3263.93) 64.24 Monocrotophos 14.253752 FindByFormula 16 Esi- C18663 223.0585 72449 (110.5225, 12438.71)(111.0174, 1679.38)(111.5288, 2305.53)(222.0572, 409.57) 43.98 Monodeallydihydroxyalmitrine 12.565177 FindByFormula 28 Esi- 471.2198 927 (470.2119, 16631.04)(471.2135, 4740.56)(472.2146, 1050.55) 95.46 Montanin 14.907 FindByFormula 10 Esi- C09135 560.3327 67457 (279.1582, 425.76)(559.3271, 68915.78)(560.3293, 10875.07)(561.3277, 1794.95) 71.06 Montbretin A 15.300274 FindByFormula 11 Esi- LMPK12112449 1320.3402 50865 (659.1617, 3083.1)(659.6456, 550.56)(660.1653, 1486.1)(660.687, 589.1) 49.67 Morellin 23.747868 FindByFormula 29 Esi- C10085 544.2498 68119 (1087.4923, 578.26)(1088.4851, 942.54)(271.1161, 1487.91)(543.2412, 10110.71)(544.2434, 3815.91)(545.2367, 1095.69) 84.4 Mosapride 19.386 FindByFormula 10 Esi- C13494 467.1561 69583 (466.1551, 13497.64)(467.1565, 4649.47) 56.78 Moxifloxacin 19.125126 FindByFormula 16 Esi- C07663 401.1745 43893 (400.1675, 19983.21)(401.1704, 7770.89)(402.1709, 2363.62) 76.06 Mulberrofuran P 18.391 FindByFormula 6 HMDB29235 Esi- 634.1475 86113 (633.1414, 7483.81)(634.1333, 1481.9)(635.1523, 3771.11) 54.8 Mulberrofuran S 19.373 FindByFormula 10 HMDB33985 Esi- 636.16 89652 (635.155, 11652.0)(636.1552, 3781.19)(637.1662, 3908.68) 61.85 Mulberrofuran T 13.513749 FindByFormula 16 HMDB35940 Esi- 716.3041 91126 (715.2968, 23978.52)(716.2972, 9932.95)(717.3003, 3453.44) 68.69 Mupirocin 14.354998 FindByFormula 9 Esi- C11758 499.2913 43266 (499.2953, 2207.25)(500.2821, 6285.72)(501.2859, 2278.59)(502.2971, 73393.17)(503.3002, 23648.06) 34.02 MurAc(oyl-L-Ala-D-?-Glu-L-Lys-D-Ala-D-Ala)-diphospho- undecaprenol 14.288836 FindByFormula 36 Esi- C04851 1671.9913 63670 (1670.9817, 82529.82)(1671.9846, 74931.8)(1672.9865, 41349.99)(1673.9878, 16173.53) 81.82 Muricatalin 19.117249 FindByFormula 16 HMDB41428 Esi- 658.4605 95825 (657.4568, 7756.53)(658.4602, 3772.54)(659.4607, 1993.25) 72.58 Muricatenol 21.125 FindByFormula 6 HMDB35900 Esi- 608.4986 91103 (607.4911, 9607.6)(608.4942, 4215.74)(609.495, 2083.55) 64.21 Muricatenol Esi-20.944998 20.944998 FindByFormula 7 HMDB35900 Esi- 608.5002 91103 (607.4928, 9928.09)(608.4957, 4044.26) 68.25 Musca-aurin-I 0.86289996 FindByFormula 10 Esi- C08559 411.0881 67063 (410.0875, 10295.17)(411.0898, 4610.1)(412.089, 2962.11)(413.0936, 837.28)(414.0665, 1513.67) 66.42 MY-5445 6.759858 FindByFormula 35 Esi- 331.086 44526 (330.0788, 8172.73)(331.0872, 2469.74)(332.0802, 620.47) 58.45 Mycalamide B 14.022891 FindByFormula 36 Esi- C17009 517.2953 71499 (516.286, 19780.4)(517.2896, 6370.11)(518.2854, 7543.07)(519.288, 2567.74)(520.2805, 1606.73) 55.19 Mycalolide B 13.787 FindByFormula 4 Esi- C16902 1118.5146 71417 (558.2518, 40251.38)(558.7508, 573.79) 55.66 Mycolipanolic acid (C27) 20.979057 FindByFormula 36 Esi- LMFA01020334 426.4073 73746 (425.3996, 6480.59)(426.4022, 2027.99)(427.4028, 348.37) 96.22 Myricanol 5-(6-galloylglucoside) Esi-5.625 5.625 FindByFormula 9 HMDB36526 Esi- 672.2386 91621 (671.2339, 2350.35)(672.224, 766.93)(673.2396, 1204.33)(674.2279, 113.94) 47.85 Myricanol 5-(6-galloylglucoside) 14.372 FindByFormula 10 HMDB36526 Esi- 732.2755 91621 (1463.5664, 1771.64)(1464.5876, 2581.25)(1465.5854, 2040.08)(1466.6017, 753.52)(731.2579, 10462.27)(732.2526, 11782.98)(733.2697, 15756.67) 51.75 Myricanol 5-beta-sophoroside 14.368496 FindByFormula 18 HMDB36529 Esi- 1484.6189 91624 (741.3017, 22296.82)(742.3004, 11019.16) 48.23 Myricanol 5-beta-sophoroside Esi-14.362578 14.362578 FindByFormula 31 HMDB36529 Esi- 742.3022 91624 (741.3017, 22296.82)(742.3004, 11019.16)(743.2985, 4065.35) 68.58 Myristoleyl linoleate Esi-19.116375 19.116375 FindByFormula 16 Esi- LMFA07010108 534.4637 97094 (533.4615, 4736.54)(534.4648, 2075.27)(535.4626, 607.72) 66.74 Myristoleyl linoleate 22.226 FindByFormula 9 Esi- LMFA07010108 534.4656 97094 (533.458, 19552.9)(534.4614, 7662.65)(535.4631, 1779.58) 98.13 Myxochelin B 16.064766 FindByFormula 13 Esi- C12221 449.1801 69372 (448.1716, 5534.21)(449.1774, 3626.36)(450.1799, 1314.68) 63.5 N- (3-Trifluoromethylphenyl)Piperazine (TFMPP) 8.783503 FindByFormula 36 Esi- 276.1097 44359 (275.1028, 23781.33)(276.1051, 4021.96)(277.1003, 2176.05) 72.52 N- (3-Trifluoromethylphenyl)Piperazine (TFMPP) Esi-9.168876 9.168876 FindByFormula 16 Esi- 276.1098 44359 (275.1026, 19316.45)(276.1057, 3119.68)(277.1021, 1584.87) 76.51 N-(1-Deoxy-1-fructosyl)methionine Esi-12.818358 12.818358 FindByFormula 25 HMDB37841 Esi- 311.1049 92649 (310.0982, 22691.8)(311.1007, 4061.91)(312.1024, 837.09) 80.38 N-(1-Deoxy-1-fructosyl)methionine 13.108779 FindByFormula 36 HMDB37841 Esi- 311.1065 92649 (310.0984, 41025.84)(311.1011, 6735.72)(312.1029, 1474.01) 80.48 N-(1-Deoxy-1-fructosyl)tryptophan 17.604 FindByFormula 4 HMDB37847 Esi- 426.1679 92655 (425.1574, 8470.04)(426.1634, 2328.96)(427.1555, 3395.6)(428.1591, 1321.48) 55.11 N-(1-Deoxy-1-fructosyl)tryptophan Esi-17.592 17.592 FindByFormula 4 HMDB37847 Esi- 426.1691 92655 (425.1595, 14959.02)(426.165, 4198.16)(427.1584, 5364.76)(428.1595, 2997.82) 55.41 N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine 23.761545 FindByFormula 26 Esi- LMFA08020053 486.2892 36721 (485.2824, 3835943.2)(486.2832, 1831425.4)(487.2885, 261812.81)(489.2864, 7174.69)(492.2851, 958.52) 70 N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine Esi-23.576998 23.576998 FindByFormula 10 Esi- LMFA08020053 486.2869 36721 (971.5769, 5578.21)(972.578, 3649.17)(973.5818, 1745.41)(485.2819, 2388775.0)(486.2841, 910128.6)(487.2909, 99361.92) 70.48 N-(2-fluro-ethyl) arachidonoyl amine 11.431 FindByFormula 10 Esi- LMFA08020055 409.2999 36723 (408.2918, 259317.83)(409.2964, 33970.55) 63.87 N-(2-phenylethyl)-Indomethacin amide 15.309 FindByFormula 10 Esi- 920.3115 63048 (459.1517, 6884.83)(460.1567, 6806.58)(461.1541, 4620.57)(462.144, 9294.19)(463.1471, 3873.57) 61.39 N-(3-pyridyl)-Indomethacin amide 0.976 FindByFormula 3 Esi- 433.1152 63050 (432.1115, 8603.07)(433.1132, 2812.57) 55.79 N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]phenyl]acetamide 0.65799993 FindByFormula 20 Esi- C10951 486.0564 68716 (971.1052, 2335.81)(485.053, 95211.07)(486.0549, 14618.56)(487.0521, 2869.76) 56.29 N-(diphenylmethylene) Glycine benzyl ester 19.1125 FindByFormula 16 Esi- 375.1474 44984 (374.142, 20667.34)(375.1445, 7046.31)(376.1403, 8266.4)(377.1456, 1204.75)(378.1282, 481.42) 61.54 N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine Esi-0.657 0.657 FindByFormula 6 HMDB38667 Esi- 586.1664 93324 (585.1519, 15757.12)(586.1535, 4316.32) 51.08 N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine 19.374727 FindByFormula 11 HMDB38667 Esi- 586.1579 93324 (585.1511, 18107.09)(586.1541, 7397.59)(587.1533, 2863.79) 64.38 N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine Esi-15.294001 15.294001 FindByFormula 5 HMDB38667 Esi- 586.164 93324 (585.1572, 8703.4)(586.1591, 2890.79)(587.1566, 1511.7) 76.01 n,n'-dinitrosopiperazine 3.329 FindByFormula 10 HMDB41941 Esi- 204.0925 96186 (407.1683, 4844.24)(408.1689, 1586.85)(409.1617, 826.14)(203.0794, 459340.38)(204.0853, 34786.29)(205.0863, 4841.57) 85.53 n,n'-dinitrosopiperazine Esi-3.2796123 3.2796123 FindByFormula 36 HMDB41941 Esi- 204.0893 96186 (407.1695, 6253.73)(408.1766, 2007.37)(409.1724, 433.87)(203.0787, 579903.4)(204.0851, 38798.89)(205.0868, 4861.26) 90.52 N,N'-Diphenyl-p-phenylenediamine 5.2964287 FindByFormula 14 Esi- C14501 260.1328 70108 (259.1246, 6557.35)(260.1297, 938.9) 72.87 N-[2-(4-Chloro-phenyl)-acetyl]-N'-(4,7-dimethyl-quinazolin-2-yl)-guanidine 17.576002 FindByFormula 9 Esi- C11562 413.1236 69095 (412.1164, 11412.14)(413.1232, 5257.93) 50.89 N-[2-(4-Chloro-phenyl)-acetyl]-N'-(4,7-dimethyl-quinazolin-2-yl)-guanidine Esi-17.579546 17.579546 FindByFormula 11 Esi- C11562 413.1267 69095 (412.1164, 11412.14)(413.1232, 5257.93) 50.89 N1,N4-Diacetylsulfanilamide 0.871 FindByFormula 2 Esi- 348.0662 2528 (173.0241, 14629.36)(173.5302, 1106.19) 58.5 N1,N5,N10,N14-Tetra-trans-p-coumaroylspermine 19.408 FindByFormula 4 HMDB39963 Esi- 786.3709 94505 (785.3543, 138780.98)(786.3559, 92556.59)(787.3567, 40702.21)(788.3579, 12656.92) 74.05 N1,N5,N10-Triferuloyl spermidine 15.473999 FindByFormula 20 Esi- C18071 719.3013 64187 (1437.5923, 812.37)(1438.5981, 746.11)(1439.6013, 743.19)(718.295, 27133.47) 35.46 N1,N5,N10-Triferuloyl spermidine Esi-14.339803 14.339803 FindByFormula 15 Esi- C18071 673.2982 64187 (1345.5829, 7579.43)(1346.5834, 5641.01)(1347.5789, 4329.49)(1349.5844, 4696.8)(1350.5771, 3064.96)(1351.5728, 3753.76)(1352.5852, 4202.24)(672.293, 43115.93) 47.45 N1,N5-Tri-di(hydroxyferuloyl)-N10-sinapoyl-spermidine 14.662001 FindByFormula 10 Esi- C18073 795.3204 64189 (1590.6029, 929.51)(794.3161, 10341.43)(795.3062, 3708.36)(796.3232, 1896.01) 74.07 N17-Dimethylindole-3-carboxaldehyde 6.2514844 FindByFormula 29 Esi- 174.0949 65422 (173.0838, 16469.08)(174.0852, 1810.6) 77.18 N1-Acetylthermospermidine Esi-18.22554 18.22554 FindByFormula 26 Esi- 304.2385 263482 (303.237, 1026515.4)(304.2442, 118555.61)(305.2463, 16982.67)(306.2485, 1817.67) 61.19 N1-Acetylthermospermidine Esi-12.920054 12.920054 FindByFormula 36 Esi- 304.2474 263482 (303.2399, 7357.04)(304.2442, 1499.3)(305.236, 1027.64) 62.7 N1-Acetylthermospermidine 18.227125 FindByFormula 16 Esi- 304.2467 263482 (607.4756, 3271.76)(608.472, 1890.25)(609.4838, 2278.46)(303.2372, 1089471.0)(304.2443, 124857.88)(305.2461, 17882.56)(306.2475, 1744.02) 63.26 N2-Acetyl-L-aminoadipate Esi-1.2581818 1.2581818 FindByFormula 11 Esi- C12986 203.0778 63446 (202.0708, 13879.14)(203.0725, 1121.51)(204.0726, 300.44) 87.06 N2-Acetyl-L-aminoadipate 1.509143 FindByFormula 14 Esi- C12986 203.0779 63446 (202.0712, 47037.22)(203.0728, 5914.23)(204.0752, 530.11) 87.53 N3'-Acetylapramycin 16.524 FindByFormula 6 Esi- C02856 641.2928 65851 (640.3078, 130429.24)(641.3096, 59243.73)(642.3109, 28277.51) 65.11 N3'-Acetylneomycin 13.4210005 FindByFormula 3 Esi- C02725 656.3259 65820 (655.3153, 9320.28)(656.3218, 4995.82) 53.77 N6'-Acetylkanamycin-B 24.121998 FindByFormula 7 Esi- C03154 571.2675 65918 (570.2614, 47992.46)(571.264, 16964.08)(572.2653, 3959.24) 82.86 N6-Carbamoyl-DL-Lysine 0.77500004 FindByFormula 7 Esi- 189.1106 85017 (377.2087, 784.46)(188.1063, 27850.06)(189.0962, 5661.32) 57.16 N-Ac-Asp-Glu-Val-Asp-CHO 15.216111 FindByFormula 35 Esi- 548.2113 45364 (547.1889, 18988.28)(548.1916, 6243.92)(549.1818, 1514.2) 78.91 NAc-DNP-Cys 6.652 FindByFormula 6 Esi- C11605 375.0331 69126 (374.0304, 7549.46)(375.0323, 1989.3) 62.69 N-Acetyl-9-O-lactoylneuraminic acid 19.121998 FindByFormula 10 HMDB00768 Esi- 441.1443 5735 (440.139, 16627.77)(441.1415, 5656.06) 50.81 N-Acetylcarbocysteine 3.7815003 FindByFormula 20 Esi- 267.041 1530 (266.0347, 32856.57)(267.0384, 3739.79)(268.0388, 1619.51) 88.84 N-Acetyl-D-galactosaminyldiphosphoundecaprenol 14.0114975 FindByFormula 36 Esi- C05845 1003.5751 66339 (1002.5638, 463605.56)(1003.5702, 112823.95)(1004.5719, 28583.7) 67.6 N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine 15.211999 FindByFormula 8 Esi- C04876 854.3366 66273 (426.1625, 30785.32)(426.6574, 620.26)(854.3836, 1333.19) 57.88 N-Acetyl-leu-leu-leu-tyr-amide 12.254398 FindByFormula 15 Esi- C11296 607.3613 68968 (606.3553, 13314.74)(607.3588, 4923.36)(608.341, 3356.08) 56.02 Nafcillin 15.4559965 FindByFormula 20 Esi- C07250 414.1281 43267 (206.0551, 169.72)(413.1193, 9500.48)(414.1234, 2494.9)(415.122, 719.95) 87.07 Nandrolone decanoate 20.4115 FindByFormula 16 Esi- C08154 856.6562 1433 (427.3208, 6022.25)(428.321, 2504.21) 54.71 Nandrolone decanoate Esi-20.410997 20.410997 FindByFormula 10 Esi- C08154 428.3284 1433 (427.32, 3271.79)(428.3218, 1318.28) 57.7 Na-p-Hydroxycoumaroyltryptophan Esi-17.591 17.591 FindByFormula 4 HMDB41370 Esi- 396.1334 95775 (395.1259, 4806.19)(396.1286, 2872.96) 57.14 Na-p-Hydroxycoumaroyltryptophan 16.363308 FindByFormula 26 HMDB41370 Esi- 350.1291 95775 (349.1189, 36770.16)(350.1212, 11389.34)(351.1223, 3794.04) 80.18 N-arachidonoyl tyrosine 15.413278 FindByFormula 36 Esi- LMFA08020076 467.3053 46557 (466.2954, 23035.24)(467.2979, 7416.25)(468.2989, 1828.64) 93.06 N'-arachidonoyl-N''-diethyl ethylene diamine; N'-arachidonoyl-N''-diethylethylenediamine 19.369305 FindByFormula 23 Esi- LMFA08020022 448.3568 75451 (447.3594, 140890.8)(448.3628, 46198.14)(449.3727, 22953.72) 71.82 N'-arachidonoyl-N''-diethyl ethylene diamine; N'-arachidonoyl-N''-diethylethylenediamine Esi-19.133572 19.133572 FindByFormula 14 Esi- LMFA08020022 448.3655 75451 (447.3598, 36618.11)(448.3628, 11849.47)(449.3697, 6363.65) 74.18 Narbomycin 15.083001 FindByFormula 9 Esi- C11998 569.3583 63707 (568.3481, 495864.97)(569.3542, 50572.77)(570.3497, 9850.62) 66.14 Narcissidine 17.600002 FindByFormula 16 Esi- C12184 379.1621 69351 (378.1568, 49249.14)(379.1578, 14010.49)(380.1652, 1893.5) 85.57 N-benzyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine 7.07 FindByFormula 17 Esi- 285.1253 96288 (284.1181, 10030.14)(285.1223, 1728.28)(286.117, 276.6) 70.19 Nb-Palmitoyltryptamine 19.3706 FindByFormula 15 HMDB40815 Esi- 458.3455 95277 (457.3411, 9725.47)(458.3432, 3838.1)(459.3455, 3560.12) 49.19 Nb-Pentacosanoyltryptamine 16.122997 FindByFormula 20 HMDB40820 Esi- 644.5202 95282 (321.2514, 85785.13)(321.7494, 202.59)(322.2545, 20880.56) 44.69 Nb-Stearoyltryptamine 13.607 FindByFormula 10 HMDB40816 Esi- 472.3686 95278 (471.3582, 6834.7)(472.3623, 2544.74)(473.3642, 382.71) 94.47 N-Deacetylketoconazole 6.0789995 FindByFormula 7 Esi- 534.1481 900 (533.1407, 4265.98)(534.1462, 1756.66)(535.1098, 652.72) 47.04 N-Dealkylzuclopenthixol 1.516 FindByFormula 20 Esi- 356.1095 3111 (355.1047, 120571.1)(356.1071, 18331.6)(357.0811, 24079.75) 42.44 N-Desethylquinagolide glucuronide 13.7190895 FindByFormula 22 Esi- 603.2462 2211 (602.2422, 13299.96)(603.2468, 4358.95)(604.2407, 5170.63)(605.2402, 2153.99) 57.82 N-Desethylquinagolide sulfate 18.000317 FindByFormula 35 Esi- 447.1518 2214 (446.1424, 6139.44)(447.1468, 3200.15)(448.1422, 2808.84)(449.1563, 1329.28)(450.1454, 487.29) 60.85 N-Desethylquinagolide sulfate Esi-19.12 19.12 FindByFormula 2 Esi- 493.1565 2214 (492.1497, 14545.79)(493.1487, 4950.77)(494.1462, 1367.18) 71.9 N-Desmethylmifepristone (RU 42633) 5.728 FindByFormula 10 Esi- 415.2521 1305 (414.2464, 3867.12)(415.2493, 1257.92)(416.2568, 307.68) 79 N-Desmethylzafirlukast 12.562 FindByFormula 9 Esi- 607.1981 3053 (606.189, 3652.94)(607.1922, 1265.12)(608.1919, 579.77) 85.49 N-Didesethylquinagolide sulfate 15.210001 FindByFormula 10 Esi- 479.1417 2215 (478.134, 5668.26)(479.1345, 580.98)(480.1338, 2355.32) 59.66 N-docosahexaenoyl glutamic acid Esi-13.686222 13.686222 FindByFormula 36 Esi- LMFA08020089 517.3079 75471 (516.2996, 8886.05)(517.3031, 3096.47)(518.2955, 4402.45)(519.2969, 1577.39)(520.2859, 1420.35) 52.49 N-docosahexaenoyl glutamic acid Esi-12.854999 12.854999 FindByFormula 6 Esi- LMFA08020089 501.2851 75471 (502.2847, 7437.61)(503.2862, 2463.99)(504.2791, 4000.52)(505.2838, 1535.45) 58.65 N-docosahexaenoyl glutamic acid 13.158702 FindByFormula 33 Esi- LMFA08020089 503.2917 75471 (502.2846, 28985.17)(503.287, 8504.09)(504.2822, 10859.3)(505.284, 3642.33)(506.2822, 1495.53)(507.2864, 773.74) 61.18 N-docosahexaenoyl glutamine 13.583997 FindByFormula 19 Esi- LMFA08020129 502.3167 75511 (501.2967, 242117.73)(502.3015, 38973.02)(503.3037, 6577.39) 75.22 Neferine 15.096502 FindByFormula 20 HMDB34104 Esi- 684.343 89719 (683.3324, 26275.77)(684.3333, 7972.4)(685.3426, 2117.83) 75.27 Nelfinavir 17.154 FindByFormula 7 Esi- C07257 627.3362 66612 (626.33, 92477.02)(627.3331, 30740.33)(628.3284, 36648.23)(629.3305, 11097.53) 61.5 Neoacrimarine I 15.303001 FindByFormula 20 HMDB34788 Esi- 531.1576 90210 (530.1489, 10658.07)(531.1425, 5197.72)(532.1491, 4613.64)(533.1449, 3129.42)(534.1637, 6214.97)(535.1595, 3390.1)(536.1471, 927.99) 54.94 Neoacrimarine K 23.177998 FindByFormula 10 HMDB33192 Esi- 605.1903 89066 (604.1829, 3785.16)(605.1847, 1821.07)(606.1824, 1877.37)(607.1849, 728.14) 56.6 Neoannonin B 20.34707 FindByFormula 14 HMDB37117 Esi- 606.4833 92088 (302.2383, 101.0)(605.4778, 8826.36)(606.4817, 3472.01)(607.4816, 1999.36) 75.73 Neoarctin B Esi-19.156 19.156 FindByFormula 1 Esi- C17683 802.3318 71860 (801.3148, 7442.79)(802.3202, 4716.1) 50.31 Neoarctin B Esi-14.067717 14.067717 FindByFormula 21 Esi- C17683 742.3059 71860 (741.2916, 24431.79)(742.2892, 11655.95)(743.2905, 5930.81) 61.91 Neoarctin B Esi-15.3102 15.3102 FindByFormula 25 Esi- C17683 788.3055 71860 (787.296, 22929.55)(788.2956, 9179.32)(789.2933, 3258.47) 71.92 Neoarctin B 15.109146 FindByFormula 35 Esi- C17683 788.3032 71860 (1575.5697, 702.8)(1576.5542, 271.28)(787.2971, 22486.72)(788.2972, 9475.63)(789.294, 3479.7) 79.32 Neocarzinostatin chromophore 13.946336 FindByFormula 15 Esi- C12049 719.2316 69275 (1437.4382, 1245.39)(718.2187, 19609.39)(719.2154, 9415.14)(720.2197, 11755.73) 54.67 Neotame Esi-9.581 9.581 FindByFormula 2 HMDB34566 Esi- 876.4676 90030 (437.2265, 7415.84)(438.2375, 662.57) 40.93 Neotame 9.585388 FindByFormula 36 HMDB34566 Esi- 438.2329 90030 (437.2271, 17033.66)(438.2297, 4851.77)(439.2301, 1340.27) 79.14 N-Ethylmaleimide-S-glutathione 0.77 FindByFormula 4 Esi- C11370 430.1143 69019 (214.051, 28981.04)(214.5671, 1652.14)(429.1069, 2886.57) 40.92 Neu5Gc?2-3Gal?1-4Glc?-Sp 15.149001 FindByFormula 8 Esi- 778.2645 3614 (777.256, 14511.06)(778.2585, 11791.45)(779.2613, 7142.58) 62.7 Neu5Gc?2-3Gal?1-4GlcNAc?-Sp 14.367765 FindByFormula 34 Esi- 759.2717 3615 (758.2631, 18589.72)(759.2612, 8851.49)(760.2599, 9978.5)(761.2591, 3945.32)(762.2729, 18111.94)(763.2745, 7962.81)(764.2656, 5304.23) 55.39 NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 14.062 FindByFormula 2 Esi- LMSP0601AJ08 1350.862 56135 (1349.8634, 6229.3)(1350.8661, 4928.14)(1351.8706, 3259.5) 67.96 NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) 14.6945715 FindByFormula 7 Esi- LMSP0601AA01 1036.6675 56047 (1035.662, 963848.0)(1036.6655, 535687.1)(1037.6718, 139744.88)(1038.6729, 34325.98)(1039.6747, 7814.79) 83.4 NeuAcalpha2-8NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) 15.3359995 FindByFormula 8 Esi- LMSP0601FH03 1881.002 57222 (939.4944, 7223.39)(940.0038, 158.03)(940.4984, 5917.88) 60.53 NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 13.964 FindByFormula 6 Esi- LMSP0601FF08 1671.9617 57209 (1670.9781, 11588.03)(1671.9691, 11906.94)(1672.9618, 7819.46) 38.95 Nevadensin 5-gentiobioside 17.994751 FindByFormula 16 Esi- LMPK12111439 668.1947 49863 (667.1879, 10720.45)(668.1903, 4143.32)(669.1946, 1906.4) 87.11 Nevirapine 7.2236257 FindByFormula 8 Esi- C07263 266.1161 43275 (265.1118, 17993.76)(266.1145, 3698.88)(267.107, 696.35) 77.77 N-Feruloylaspartic acid Esi-8.180532 8.180532 FindByFormula 15 HMDB40830 Esi- 309.0883 95292 (308.0803, 9034.6)(309.0857, 1379.34)(310.0862, 548.04) 68.25 N-Feruloylaspartic acid 6.46889 FindByFormula 36 HMDB40830 Esi- 309.0878 95292 (308.0807, 32809.91)(309.0826, 4352.7)(310.0805, 1167.11) 72.7 N-formylmaleamic acid 1.5274445 FindByFormula 36 Esi- C18232 189.0231 72080 (188.0175, 169073.66)(189.0204, 10563.95)(189.8912, 196.73)(191.8565, 931.62) 73.91 N-Formylmethionyl-Leucylphenylalanine 19.6358 FindByFormula 25 Esi- C11596 437.2002 43541 (436.1935, 7677.02)(437.1964, 2981.44)(438.1959, 1039.5) 67.63 N-Formyl-norleucyl-leucyl-phenylalanyl-methylester 17.514997 FindByFormula 15 Esi- C11298 433.2541 68970 (432.252, 10403.12)(433.2542, 5942.43)(434.2542, 2936.67) 65.18 Niazimin A 17.941853 FindByFormula 35 HMDB38630 Esi- 383.1607 93291 (382.1499, 46430.72)(383.1532, 14388.06)(384.1553, 4556.25) 81.6 Nicarbazin 1.1739999 FindByFormula 6 Esi- C18389 362.0789 72198 (361.0759, 7669.69)(362.0791, 1544.11)(363.0863, 690.42) 64.89 Niguldipine Esi-11.651002 11.651002 FindByFormula 24 Esi- C11236 609.2819 68934 (608.2772, 10639.16)(609.2791, 4606.07)(610.2713, 995.82) 87.43 Nitazoxanide 6.468663 FindByFormula 36 Esi- 367.0461 64837 (366.0407, 9678.01)(367.0369, 1799.05)(368.0375, 4211.6)(369.0552, 881.4) 59.02 NKH477 14.297553 FindByFormula 36 Esi- 555.3121 96489 (554.2989, 760900.6)(555.3062, 140638.78)(556.3006, 186693.4)(557.3038, 52990.74)(558.3071, 11010.46)(559.3084, 2253.98)(560.2957, 619.52) 56.73 NKH477 Esi-13.966839 13.966839 FindByFormula 36 Esi- 555.3067 96489 (554.2978, 576755.0)(555.3048, 113894.19)(556.3003, 127933.96) 61.99 N-linolenoyl-glutamine Esi-11.3399 11.3399 FindByFormula 10 Esi- LMFA00000004 406.2806 45743 (405.2738, 18356.88)(406.278, 5444.26) 71.04 N-linolenoyl-glutamine Esi-10.548 10.548 FindByFormula 16 Esi- LMFA00000004 406.2823 45743 (405.2746, 38699.12)(406.2779, 11465.04)(407.2847, 4856.38) 79.82 N-linolenoyl-glutamine 11.25736 FindByFormula 28 Esi- LMFA00000004 452.289 45743 (451.2813, 36234.71)(452.2846, 11399.08)(453.2907, 3426.1) 90.49 N-Methyl-2,3,7,8-tetramethoxy-5,6-dihydrobenzophenathridine-6-ethanoic acid 20.357222 FindByFormula 36 Esi- C12223 469.1758 69374 (468.1677, 84316.05)(469.1697, 28668.64)(470.1729, 8812.49) 88.41 N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one 0.9689999 FindByFormula 7 Esi- C12224 439.1675 69375 (438.1574, 3220.22)(439.1597, 1070.85) 69.02 N-Nitrosotomatidine Esi-18.211845 18.211845 FindByFormula 13 HMDB34102 Esi- 444.331 89718 (443.3309, 10669.71)(444.3343, 4363.18)(445.3404, 3067.85) 46.65 N-Nitrosotomatidine 18.404 FindByFormula 9 HMDB34102 Esi- 888.6623 89718 (443.3272, 10287.61)(444.3299, 3746.85)(445.342, 9210.94) 48.48 N-oleoyl asparagine 16.411 FindByFormula 1 Esi- LMFA08020137 442.3041 75519 (441.2975, 6852.52)(442.301, 2032.43) 78.52 N-Oleoyl Dopamine 19.329 FindByFormula 4 Esi- LMFA08020140 463.3225 75521 (462.3235, 11182.01)(463.3229, 3715.45)(464.3034, 942.45) 57.94 N-oleoyl glutamine 21.00422 FindByFormula 36 Esi- LMFA08020128 410.3186 75510 (409.3085, 367882.38)(410.315, 76177.45)(411.3182, 13818.22)(412.3192, 1522.31) 77.99 N-oleoyl leucine 19.284374 FindByFormula 16 Esi- LMFA08020116 395.3374 75498 (394.3362, 28219.66)(395.3388, 8666.01)(396.34, 1300.5) 74.68 Nomilinic acid 10.544 FindByFormula 3 HMDB35771 Esi- 532.233 91013 (531.2244, 10389.18)(532.2258, 3247.95) 74.56 Nonoxynol-9 18.392502 FindByFormula 36 Esi- 662.4162 43278 (661.4167, 76192.3)(662.4196, 32129.62)(663.4143, 35497.81)(664.4158, 16352.55)(665.4142, 8459.11)(666.4144, 11490.18) 39.31 Norbinaltorphimine 15.875666 FindByFormula 15 Esi- C18130 1414.644 72053 (706.3135, 6828.11)(707.3289, 11518.68)(708.3221, 4977.41)(709.3029, 4005.49) 50.35 Norepinephrine sulfate 6.10911 FindByFormula 36 HMDB02062 Esi- 295.0379 58089 (294.0309, 18307.38)(295.0338, 3456.55)(296.0304, 1038.14) 72.98 Norfuraneol 0.7455555 FindByFormula 9 HMDB31859 Esi- 114.0312 87978 (113.0232, 489792.78)(114.0286, 10800.94)(115.0392, 5574.17) 86.05 Nostocyclopeptide A1 17.999882 FindByFormula 36 Esi- C15723 756.4204 71054 (377.2078, 3431.89)(755.4125, 3669.31)(756.4145, 1775.21)(757.4164, 33283.34)(758.4194, 17321.9)(759.4151, 16572.56)(760.4159, 8396.62)(761.414, 4621.78) 67.36 Nostoxanthin sulfate Esi-17.429855 17.429855 FindByFormula 14 Esi- LMPR01070105 748.3663 41363 (747.3582, 7393.38)(748.3615, 3131.96)(749.3411, 767.56) 56.47 Nostoxanthin sulfate 15.3220005 FindByFormula 10 Esi- LMPR01070105 762.376 41363 (761.3706, 9720.07)(762.3798, 5886.18)(763.3737, 4740.46)(764.371, 2438.9)(765.3618, 2188.66)(766.3664, 1415.02)(767.369, 1024.34)(768.3665, 414.84) 60.87 Notoginsenoside R4 14.849497 FindByFormula 20 HMDB40466 Esi- 1240.6324 94966 (1239.6329, 30976.67)(1240.6365, 21162.63)(1241.6335, 8226.38)(1242.6094, 4080.18) 53.54 Notoginsenoside R9 18.394693 FindByFormula 32 HMDB41375 Esi- 654.4259 95779 (653.4219, 103634.73)(654.4248, 47499.3)(655.4341, 747692.9) 65.21 N-palmitoyl leucine Esi-19.009 19.009 FindByFormula 8 Esi- LMFA08020115 369.3211 75497 (368.3196, 22030.08)(369.322, 5917.27) 68.01 N-palmitoyl leucine 19.009602 FindByFormula 25 Esi- LMFA08020115 369.3224 75497 (368.3197, 21622.88)(369.3221, 5820.12)(370.3242, 1042.25) 83.24 N-palmitoyl phenylalanine 18.965 FindByFormula 2 Esi- LMFA08020091 403.3185 75473 (402.3023, 5345.41)(403.3062, 1666.5)(404.3037, 819.91) 75.05 N-palmitoyl tryptophan 6.6356263 FindByFormula 16 Esi- LMFA08020095 488.3248 75477 (487.3176, 8114.06)(488.3207, 2709.92)(489.3154, 3284.7)(490.3195, 1248.23)(491.2998, 65.72) 48.56 NPC 17.812798 FindByFormula 15 Esi- C16543 518.22 71231 (517.212, 11665.78)(518.2145, 3828.62)(519.2171, 1362.39) 82.2 N-Phosphohypotaurocyamine 5.374 FindByFormula 4 Esi- C03624 291.0272 66013 (290.0218, 11632.04)(291.023, 2011.93)(292.0174, 1771.83) 73.57 NSC 23766 14.564 FindByFormula 10 Esi- 481.3389 45485 (962.5446, 7405.25)(963.5486, 5366.91)(964.5585, 8120.52)(480.3093, 82661.88)(481.3127, 23927.94)(482.3148, 5047.71) 98.41 N-stearoyl alanine 18.567928 FindByFormula 26 Esi- LMFA08020125 355.3062 75507 (354.3003, 12336.13)(355.3032, 3120.15)(356.3051, 494.15) 94.9 N-stearoyl proline Esi-18.875751 18.875751 FindByFormula 16 Esi- LMFA08020119 381.3226 75501 (380.3204, 6913.62)(381.3229, 2396.93) 50.84 N-stearoyl proline 18.878 FindByFormula 8 Esi- LMFA08020119 381.3327 75501 (380.3155, 6713.07)(381.3178, 2247.47)(382.314, 290.55) 76.08 N-stearoyl proline Esi-18.880999 18.880999 FindByFormula 9 Esi- LMFA08020119 762.6454 75501 (380.3169, 13898.27)(381.3195, 4162.84) 79.14 N-stearoyl tryptophan 19.251 FindByFormula 9 Esi- LMFA08020097 470.3498 75479 (469.3428, 22332.12)(470.3445, 8085.67) 72.17 N-tryptophanyl-35-aminobacteriohopane-32,33,34-triol 14.704801 FindByFormula 10 Esi- LMPR04000016 791.581 53876 (790.5766, 9852.83)(791.5797, 5265.48)(792.5842, 1718.58) 88.77 NU 7026 Esi-13.103081 13.103081 FindByFormula 24 Esi- 444.1467 45528 (443.1395, 8235.45)(444.138, 2414.65)(445.1243, 972.3) 56.36 N-Valerylglycine methyl ester Esi-5.969946 5.969946 FindByFormula 36 HMDB00681 Esi- 173.1078 5650 (172.0998, 1021560.75)(173.106, 48177.24)(174.1077, 6033.56) 71.57 N-Valerylglycine methyl ester 6.468722 FindByFormula 36 HMDB00681 Esi- 173.1065 5650 (345.2084, 2251.56)(346.2142, 862.15)(347.2056, 289.66)(172.0993, 1033125.5)(173.1055, 48668.37)(174.1062, 6039.77) 78.34 NVP-BEZ235 19.379498 FindByFormula 20 Esi- 469.1867 64764 (468.1859, 13050.57)(469.1903, 4911.59)(470.1942, 1348.24) 72.42 NVP-BEZ235 Esi-19.376516 19.376516 FindByFormula 25 Esi- 469.1877 64764 (468.1859, 13050.57)(469.1903, 4911.59)(470.1942, 1348.24) 72.42 O-Acetylcypholophine Esi-13.734918 13.734918 FindByFormula 36 Esi- C10564 360.2118 68387 (359.1971, 352753.53)(360.2031, 51567.18)(361.2002, 18514.49) 78.79 O-Acetylcypholophine Esi-19.113197 19.113197 FindByFormula 15 Esi- C10564 360.205 68387 (359.1992, 164892.95)(360.2025, 36785.48)(361.2053, 17124.32) 81.49 Ochrolifuanine A 23.767 FindByFormula 5 Esi- C09229 484.2844 67536 (483.2769, 44946.88)(484.2791, 14680.67) 79.05 Octadecanedioic acid 17.809498 FindByFormula 20 HMDB00782 Esi- LMFA01170029 314.252 5748 (627.4899, 1939.01)(628.4924, 603.1)(313.2393, 568823.2)(314.2457, 68336.98)(315.2479, 10059.81)(316.2502, 1208.59) 75.47 Octadecanoic acid, 2-mercapto-; alpha-Mercaptostearic acid 12.622546 FindByFormula 11 Esi- LMFA01130002 376.2659 74887 (375.2606, 3533.09)(376.2612, 1313.84)(377.2582, 431.51) 57.98 Octadecanoic acid-1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester 9.017999 FindByFormula 6 HMDB02491 Esi- 452.251 6699 (225.1179, 9976.23)(225.6138, 167.11)(226.1213, 1718.11) 59.1 Octamethyltrisiloxane 8.50104 FindByFormula 25 Esi- C07261 236.1077 66613 (117.0486, 1765.95)(235.1011, 11836.1)(236.1038, 2017.6) 60.59 Octinoxate 14.604456 FindByFormula 35 Esi- 336.1917 43282 (335.1844, 12997.67)(336.1869, 2709.72)(337.1904, 636.93) 83.86 o-Hydroxyfinasteride 10.745499 FindByFormula 24 Esi- 508.3146 2699 (253.1505, 32112.44)(253.64, 174.27)(254.1539, 5718.14) 69.23 Oil Orange SS 5.0331817 FindByFormula 11 Esi- C19287 262.1117 73005 (261.1043, 7404.4)(262.1095, 685.67) 60.5 Okanin 4'-alpha-L-arabinofuranosyl-(1-4)-glucoside 15.297 FindByFormula 6 Esi- LMPK12120165 582.1614 51969 (581.1506, 7398.66)(582.1424, 2983.05)(583.1453, 1882.65)(584.1409, 1090.96)(585.1607, 7354.29)(586.1632, 1762.18) 30.02 Olanzapine 14.076552 FindByFormula 36 HMDB05012 Esi- C07322 372.1596 58286 (371.1541, 16031.51)(372.156, 5817.54)(373.1527, 1598.48) 77.68 Olanzapine Esi-11.483528 11.483528 FindByFormula 19 HMDB05012 Esi- C07322 358.145 58286 (357.1386, 6851.61)(358.141, 1472.1)(359.1444, 378.72) 93.65 Oleoyl 3-carbacyclic Phosphatidic Acid Esi-9.697 9.697 FindByFormula 3 Esi- 476.2857 44869 (475.2796, 7260.73)(476.2834, 2425.95)(477.2855, 809.19) 68.27 Oleoyl 3-carbacyclic Phosphatidic Acid Esi-10.19755 10.19755 FindByFormula 33 Esi- 476.2861 44869 (475.2804, 74832.08)(476.2828, 22948.76)(477.2876, 4857.18) 79.84 Oleoyl 3-carbacyclic Phosphatidic Acid 10.62393 FindByFormula 28 Esi- 476.287 44869 (475.2806, 63118.55)(476.284, 19824.94)(477.2855, 4222.59) 82.66 Olprinone 8.198846 FindByFormula 26 Esi- C13546 296.0904 69592 (295.0834, 6082.95)(296.0859, 1173.93)(297.0868, 1034.27) 71.67 O-Methylisoetharine sulfate 13.109359 FindByFormula 28 Esi- 393.1464 846 (392.1399, 5764.78)(393.1386, 1446.76)(394.127, 484.49) 74.55 O-Methylsomniferine 23.757168 FindByFormula 36 HMDB38586 Esi- 622.2657 93253 (310.1221, 172.57)(621.2569, 16552.46)(622.2611, 6326.19)(623.2635, 1889.92) 81.34 Omphalotin A 14.836001 FindByFormula 3 HMDB31915 Esi- 2727.7795 88031 (1362.8792, 8965.08)(1363.8776, 8482.7)(1364.8802, 5056.65) 72.64 Orientaloside 0.78499997 FindByFormula 9 HMDB37100 Esi- 632.1965 92074 (315.0903, 19581.82)(315.593, 150.74)(316.088, 4690.68) 56.28 Oryzalin 1.823 FindByFormula 5 Esi- C18877 466.1314 72638 (232.0611, 117445.71)(232.5492, 310.31) 59.28 Oryzanol A 19.372093 FindByFormula 22 HMDB35891 Esi- 648.455 91095 (647.4347, 117488.74)(648.436, 43096.85)(649.4368, 9614.09)(650.4359, 2192.66) 81.36 Oscillatoxin A 13.6815195 FindByFormula 35 Esi- C16771 624.3151 71331 (623.3082, 98177.91)(624.3101, 34359.55)(625.3037, 9590.87) 88.47 Oscillatoxin A Esi-13.667364 13.667364 FindByFormula 30 Esi- C16771 624.316 71331 (623.308, 89847.84)(624.3102, 30937.23)(625.3141, 8916.13) 97.62 Oseltamivir Esi-12.221 12.221 FindByFormula 10 Esi- C08092 372.2234 66811 (371.2164, 7760.79)(372.2197, 2509.17)(373.2246, 789.59) 65.61 Oseltamivir 11.427835 FindByFormula 36 Esi- C08092 372.223 66811 (371.2171, 94092.27)(372.2199, 23259.69)(373.2219, 4229.7) 87.09 Oxaburimamide 3.2960002 FindByFormula 3 Esi- C11802 260.0938 69231 (259.089, 18368.35)(260.0837, 4145.22) 54.47 Oxaburimamide Esi-3.28 3.28 FindByFormula 4 Esi- C11802 520.1855 69231 (259.0886, 20532.45)(260.078, 3524.42) 62.86 Oxadiazon 1.136 FindByFormula 7 Esi- C18496 390.0753 72302 (389.0682, 16909.63)(390.0731, 4358.53) 54.17 Oxepahyperforin 23.782751 FindByFormula 16 HMDB35374 Esi- 552.3791 90671 (1103.7838, 851.83)(551.373, 5578.5)(552.3739, 2550.28) 58.87 Oxotolrestat glucuronide 6.667 FindByFormula 4 Esi- 517.1143 2880 (516.1128, 5591.98)(517.1186, 1657.78) 70.12 Oxyphencyclimine 9.565999 FindByFormula 30 Esi- C07851 390.2152 44371 (389.2075, 6261.37)(390.2111, 2006.75)(391.2094, 449.52) 84.8 Oxytetracycline 18.2304 FindByFormula 25 Esi- C06624 LMPK07000005 520.1721 1690 (519.1612, 4946.29)(520.1662, 1280.45)(521.1583, 2509.13)(522.1705, 417.14)(523.1737, 1587.67) 49.77 Oxytetracycline Esi-1.5249999 1.5249999 FindByFormula 10 Esi- C06624 LMPK07000005 460.1503 1690 (229.0662, 2824761.8)(229.5654, 1153.24)(230.0723, 156457.66)(459.1399, 13970.96)(461.134, 1292.65) 67.39 p-(Phenylazo)benzenesulfonic acid 5.474231 FindByFormula 26 Esi- 262.0432 96291 (523.0802, 687.73)(261.0338, 12507.89)(262.0436, 3439.74)(263.0426, 1753.89) 43.08 PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 18.23011 FindByFormula 18 Esi- LMGP10010939 710.4159 82105 (709.4094, 93206.7)(710.4126, 45686.32)(711.4072, 48789.21)(712.409, 22298.19)(713.4077, 11444.27)(714.4092, 6823.52)(715.4097, 4112.2) 49.56 PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-18.22917 18.22917 FindByFormula 24 Esi- LMGP10010939 710.4083 82105 (709.4097, 83233.23)(710.4129, 39999.27)(711.4079, 40921.14)(712.4096, 18545.8)(713.4071, 10056.01)(714.4096, 5558.46)(715.4089, 3424.74)(716.4058, 1521.11) 53.09 PA(13:0/18:3(6Z,9Z,12Z)) 19.087 FindByFormula 9 Esi- LMGP10010077 1256.8123 81243 (627.4021, 9999.87)(628.4078, 4993.35) 61.86 PA(18:3(9Z,12Z,15Z)/0:0) Esi-15.619001 15.619001 FindByFormula 10 Esi- LMGP10050035 478.2343 82354 (477.226, 8788.52)(478.2263, 3406.62)(479.2182, 1413.26) 53.17 PA(18:3(9Z,12Z,15Z)/0:0) 23.7465 FindByFormula 20 Esi- LMGP10050035 432.2242 82354 (863.4272, 2800.97)(864.4308, 1804.34)(865.44, 992.43)(431.2226, 5345.33)(432.2271, 1469.75)(433.2247, 1034.0) 62.49 PA(20:3(8Z,11Z,14Z)/13:0) 18.408232 FindByFormula 26 Esi- LMGP10010588 656.4447 81754 (655.436, 286659.03)(656.442, 89341.54)(657.4449, 24850.51) 80.35 PA(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) 18.007 FindByFormula 5 Esi- LMGP10010647 684.4026 81813 (683.3959, 9544.54)(684.3991, 3865.39)(685.3946, 4665.51)(686.3962, 2330.4)(687.3959, 1468.35) 63.64 PA(22:2(13Z,16Z)/20:0) Esi-17.563997 17.563997 FindByFormula 6 Esi- LMGP10010774 784.6003 81940 (391.293, 12098.34)(391.8114, 194.07)(392.2975, 3215.93) 54.32 PA(22:2(13Z,16Z)/20:0) 13.527 FindByFormula 10 Esi- LMGP10010774 784.5996 81940 (391.2925, 15382.26)(391.7995, 100.33)(783.5969, 7753.08)(784.6019, 4443.31)(785.5971, 2129.03) 57.12 PA(22:4(7Z,10Z,13Z,16Z)/0:0) 23.815628 FindByFormula 16 Esi- LMGP10050020 546.301 82339 (1091.6057, 647.22)(545.2927, 21909.55)(546.2951, 9855.22) 39.76 PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0) 15.329777 FindByFormula 36 Esi- LMGP10010817 678.4264 81983 (1356.844, 1331.13)(1357.8488, 1870.67)(677.4194, 56682.04)(678.4228, 26718.61)(679.4219, 11211.26) 85.11 PA(O-20:0/0:0) 9.615464 FindByFormula 26 Esi- LMGP10060003 452.3198 82358 (225.1545, 21456.9)(225.6519, 203.13)(226.157, 4115.28) 50.66 PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 23.697786 FindByFormula 36 Esi- LMGP10020070 762.5652 82216 (761.549, 472913.66)(762.5566, 141302.61)(763.5579, 43958.12)(764.5587, 10261.07) 70.52 PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-23.697498 23.697498 FindByFormula 16 Esi- LMGP10020070 762.5638 82216 (761.5478, 261402.19)(762.5524, 99364.08)(763.5543, 31775.53)(764.5521, 7072.98) 87.48 PA(P-16:0/0:0) 8.861848 FindByFormula 26 Esi- LMGP10070003 394.2445 82363 (393.2392, 93983.71)(394.2419, 26869.11)(395.2449, 4946.53) 79.97 PA(P-16:0/15:1(9Z)) 15.335946 FindByFormula 36 Esi- LMGP10030006 662.4491 82246 (1323.9095, 158880.55)(1324.9125, 126886.28)(1325.9148, 58384.2)(1326.9167, 18443.4)(1327.9176, 4841.96)(661.4416, 1003073.94)(662.4454, 420138.53)(663.4502, 79926.3)(664.4418, 17299.0)(665.4426, 3783.3) 82.8 Palmitic acid 19.118504 FindByFormula 20 HMDB00220 Esi- C00249 LMFA01010001 256.24 187 (511.477, 950.57)(255.2356, 41900.07)(256.2386, 7903.25)(257.2406, 985.82) 79.03 Palmitoleoyl 3-carbacyclic Phosphatidic Acid 16.373 FindByFormula 5 Esi- 388.2393 44868 (387.2274, 8533.99)(388.2337, 2107.45) 61.24 Palmitoyl glucuronide 17.077 FindByFormula 1 HMDB10331 Esi- C03033 418.2974 61652 (417.2865, 13670.09)(418.29, 3568.81) 80.28 Palmitoyl Serotonin 17.438126 FindByFormula 32 Esi- 414.3185 62949 (413.3163, 11502.94)(414.3206, 4000.24)(415.3294, 569.98) 89.71 Palmyramide A 15.289 FindByFormula 9 Esi- 717.3818 65383 (716.3737, 5845.26)(717.3726, 3612.91)(718.3742, 1726.13) 40.17 Pamidronate 5.4512305 FindByFormula 26 Esi- C07395 281.0044 1692 (279.9968, 47243.35)(280.9996, 6448.3)(282.0041, 1962.85) 62.96 Panasenoside 18.005999 FindByFormula 6 Esi- LMPK12111666 610.1541 50082 (609.1421, 2771.04)(610.1622, 2426.67)(611.1537, 9127.72)(612.1522, 3619.87)(613.1481, 4578.95)(614.1458, 2380.46) 50.79 Panaxadiol 21.142498 FindByFormula 8 HMDB38243 Esi- 520.4118 92969 (519.4045, 3529.24)(520.4099, 1378.69)(521.4182, 3199.59)(522.4212, 1314.35) 45.84 Pandaroside B 17.435501 FindByFormula 16 Esi- LMST05050004 680.3782 84924 (679.371, 17050.84)(680.3739, 7086.77)(681.3749, 2550.52) 93.15 Panfuran S 0.7923531 FindByFormula 34 Esi- C19289 293.0775 73006 (145.534, 1178.43)(292.0683, 620082.7)(293.0738, 38465.84)(294.0698, 114107.27)(295.0732, 12556.48)(296.0782, 24837.68) 61.55 Pantothenic Acid Esi-2.43 2.43 FindByFormula 10 Esi- C00864 438.2207 241 (218.1032, 18211.93)(219.1054, 2366.55) 82.82 Pantothenic Acid 2.4265 FindByFormula 20 Esi- C00864 219.1096 241 (218.1028, 23417.84)(219.1051, 3002.35)(220.1066, 528.07) 94.45 Patellamide C 14.640228 FindByFormula 26 Esi- C15735 762.2909 71066 (1524.559, 1391.21)(761.2891, 41948.99)(762.288, 18045.1)(763.2828, 6204.69) 66.28 Patellamide C Esi-14.6015 14.6015 FindByFormula 20 Esi- C15735 762.2906 71066 (1523.5432, 1945.04)(1524.623, 204.4)(761.2893, 41016.85)(762.289, 17189.16)(763.2833, 5962.27) 71.03 Patellamide C Esi-14.832718 14.832718 FindByFormula 36 Esi- C15735 762.2941 71066 (761.2916, 40466.02)(762.2913, 16379.36)(763.2808, 6210.61) 77.93 Patellamide C Esi-15.121277 15.121277 FindByFormula 18 Esi- C15735 762.2919 71066 (761.2914, 29310.23)(762.2905, 14139.94)(763.2878, 4752.15) 79.1 Paucin 21.154 FindByFormula 3 Esi- C09525 514.2046 67776 (513.1973, 4201.97)(514.2021, 1590.48) 65.55 p-Coumaroylagmatine 11.524001 FindByFormula 10 Esi- C04498 644.3253 66195 (321.1561, 24252.74)(322.1586, 4458.71) 83.54 p-Cresol 6.854863 FindByFormula 29 HMDB01858 Esi- C01468 108.0596 4236 (107.0525, 31357.1)(108.056, 3038.42) 61.23 PD 123177 15.214913 FindByFormula 35 Esi- C15552 480.2233 70962 (479.2096, 43940.11)(480.2135, 13780.05)(481.2312, 3795.84) 80.14 PD 173074 20.986004 FindByFormula 20 Esi- 523.3311 45433 (522.3211, 6899.93)(523.3258, 3074.47)(524.3282, 617.55) 78.92 PE(13:0/0:0) 8.852 FindByFormula 9 Esi- LMGP02050007 822.4726 46713 (410.229, 6844.48)(411.2317, 2151.85) 55.21 PE(13:0/0:0) Esi-8.8502 8.8502 FindByFormula 15 Esi- LMGP02050007 411.2367 46713 (410.2289, 15362.06)(411.2353, 4456.71)(412.2381, 1294.75) 72.04 PE(15:0/16:0)[U] 14.092499 FindByFormula 12 Esi- LMGP02010063 723.5057 40462 (722.4999, 4991.58)(723.5104, 3466.2) 25.48 PE(18:0/0:0) Esi-13.6850605 13.6850605 FindByFormula 34 Esi- LMGP02050001 527.3324 40775 (526.3122, 133020.19)(527.3208, 24544.06) 56.93 PE(18:0/0:0) 14.909391 FindByFormula 36 Esi- LMGP02050001 481.3167 40775 (961.6266, 1115.41)(962.6239, 964.7)(480.308, 156742.69)(481.3114, 38691.02)(482.3131, 6817.69)(483.3092, 1272.75) 94.21 PE(19:0/0:0) 14.901781 FindByFormula 32 Esi- LMGP02050028 541.3392 77694 (1081.6812, 4866.1)(1082.6836, 2202.82)(540.3333, 3915927.8)(541.3337, 1666908.6)(542.3391, 235064.42)(543.3415, 35218.77)(544.3368, 6003.47) 71.2 PE(19:0/0:0) Esi-15.639 15.639 FindByFormula 8 Esi- LMGP02050028 541.3501 77694 (1081.6644, 4785.14)(540.3285, 417170.6)(541.3347, 78512.88)(542.3368, 18451.96)(543.3424, 21863.89) 73.35 PE(19:0/19:0)[U] 17.291 FindByFormula 4 Esi- LMGP02010038 821.6238 40437 (820.6056, 17819.81)(821.608, 8948.38)(822.6106, 3423.47) 88.6 PE(20:0/0:0) Esi-15.449843 15.449843 FindByFormula 19 Esi- LMGP02050012 555.3524 77678 (1109.6741, 3322.52)(1111.7002, 14526.76)(554.3436, 284833.88)(555.3485, 65663.88) 64.53 PE(20:0/0:0) Esi-15.505648 15.505648 FindByFormula 34 Esi- LMGP02050012 555.3623 77678 (554.3437, 294092.6)(555.3485, 67297.7) 65.13 PE(20:0/0:0) Esi-15.399 15.399 FindByFormula 10 Esi- LMGP02050012 555.3845 77678 (1110.6813, 806.98)(1112.7009, 1665.38)(554.3466, 139723.1)(555.3492, 49237.32) 73.1 PE(20:0/0:0) Esi-16.537123 16.537123 FindByFormula 16 Esi- LMGP02050012 509.3482 77678 (508.3437, 31404.91)(509.3435, 10455.02)(510.3452, 2830.84) 78.18 PE(20:0/0:0) Esi-12.4609995 12.4609995 FindByFormula 7 Esi- LMGP02050012 555.3414 77678 (554.3435, 13699.79)(555.3463, 4698.4)(556.3524, 1086.05) 80.63 PE(20:0/0:0) 16.96828 FindByFormula 36 Esi- LMGP02050012 509.3476 77678 (508.3418, 86632.77)(509.3447, 27355.81)(510.3471, 5992.7) 96.24 PE(20:1(11Z)/0:0) Esi-15.071059 15.071059 FindByFormula 35 Esi- LMGP02050020 507.3314 77686 (506.3237, 38213.53)(507.3222, 12933.55)(508.3334, 1856.87) 73.48 PE(20:1(11Z)/0:0) 15.387504 FindByFormula 36 Esi- LMGP02050020 507.3324 77686 (506.3244, 104703.5)(507.3255, 34562.16)(508.3257, 7249.3) 84.85 PE(20:2(11Z,14Z)/0:0) Esi-13.972 13.972 FindByFormula 10 Esi- LMGP02050021 505.3172 77687 (504.3104, 45825.13)(505.3142, 14022.56) 77.02 PE(20:2(11Z,14Z)/0:0) Esi-14.2688465 14.2688465 FindByFormula 26 Esi- LMGP02050021 565.3355 77687 (564.3283, 1462115.0)(565.3315, 509683.06)(566.3367, 57595.36) 83.82 PE(20:2(11Z,14Z)/0:0) Esi-13.973057 13.973057 FindByFormula 36 Esi- LMGP02050021 505.3171 77687 (504.3084, 55352.6)(505.3127, 16990.88)(506.3127, 4085.68) 94.64 PE(20:2(11Z,14Z)/0:0) 14.273281 FindByFormula 36 Esi- LMGP02050021 505.3185 77687 (504.3107, 102695.3)(505.3137, 32622.04)(506.3159, 6798.37) 95.36 PE(20:2(11Z,14Z)/0:0) Esi-13.972372 13.972372 FindByFormula 16 Esi- LMGP02050021 565.3368 77687 (564.3317, 1363630.0)(565.3351, 425289.9)(566.3406, 66544.8)(567.3424, 11501.96) 96.02 PE(20:3(8Z,11Z,14Z)/0:0) 14.610724 FindByFormula 36 Esi- LMGP02050022 503.2996 77688 (502.2901, 644211.7)(503.2973, 110084.18)(504.3009, 26011.46)(505.3035, 5042.19) 59.12 PE(20:3(8Z,11Z,14Z)/0:0) Esi-14.924429 14.924429 FindByFormula 14 Esi- LMGP02050022 503.2998 77688 (502.2939, 29031.12)(503.2965, 8975.59)(504.2998, 3150.29) 92.83 PE(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) 17.336 FindByFormula 11 Esi- LMGP02010962 681.4306 77197 (680.4265, 12688.79)(681.4287, 5139.2)(682.4327, 1717.51) 81.5 PE(22:0/0:0) 15.205125 FindByFormula 8 Esi- LMGP02050025 597.4132 77691 (596.3936, 62890.26)(597.3962, 22677.92)(598.3332, 103.85) 74.15 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.641 14.641 FindByFormula 6 Esi- LMGP02050014 589.3384 77680 (588.3277, 85425.07)(589.3311, 29172.81)(590.3425, 648896.0) 36.41 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.243 14.243 FindByFormula 4 Esi- LMGP02050014 589.3384 77680 (588.3341, 909351.4)(589.3399, 232131.11)(590.3439, 44776.19) 65.93 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.241123 14.241123 FindByFormula 16 Esi- LMGP02050014 589.3434 77680 (588.3329, 947591.7)(589.3383, 246133.36)(590.3428, 48165.48)(591.345, 8032.31) 77.48 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.015497 14.015497 FindByFormula 20 Esi- LMGP02050014 589.338 77680 (588.3268, 1187719.5)(589.3316, 363086.12)(590.3357, 59764.92)(591.3382, 9489.47) 78.69 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.242999 14.242999 FindByFormula 6 Esi- LMGP02050014 589.3464 77680 (588.3318, 955045.75)(589.3374, 247082.17)(590.3417, 47161.48)(591.3446, 8536.91) 84.32 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-13.98833 13.98833 FindByFormula 30 Esi- LMGP02050014 529.3178 77680 (1057.6462, 7482.18)(1058.6482, 4692.98)(528.3087, 44744.82)(529.3121, 15795.85)(530.3149, 5457.44) 90.31 PE(22:4(7Z,10Z,13Z,16Z)/0:0) 14.015674 FindByFormula 36 Esi- LMGP02050014 589.3386 77680 (588.3287, 1308528.8)(589.3327, 425749.34)(590.3382, 64920.35)(591.3386, 12442.86) 92.51 PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.530001 14.530001 FindByFormula 10 Esi- LMGP02050014 529.3135 77680 (1057.638, 2671.07)(1058.6445, 1268.19)(1059.6633, 2577.85)(263.6584, 279.02)(528.3092, 39945.22)(529.3116, 12807.84)(530.3154, 4290.9) 93.67 PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) 14.764 FindByFormula 3 HMDB09669 Esi- C00350 841.5556 61058 (840.5544, 43684.05)(841.5583, 25312.61)(842.5622, 32865.62) 70.97 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 13.98543 FindByFormula 14 Esi- LMGP02050013 525.2961 77679 (1049.5634, 13404.25)(524.2777, 1295150.6)(525.2821, 336709.38)(526.3047, 82404.96)(527.3134, 19234.84) 68.76 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) Esi-14.486 14.486 FindByFormula 8 Esi- LMGP02050013 571.2916 77679 (570.2863, 28890.6)(571.2895, 10889.91)(572.2919, 3626.97) 80.86 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0) 18.438002 FindByFormula 8 Esi- LMGP02011133 721.4681 77368 (720.4635, 23515.31)(721.4657, 10750.8)(722.47, 3819.03) 88.74 PE(O-16:0/16:0) 24.391405 FindByFormula 15 Esi- LMGP02020103 677.5311 77582 (676.5246, 4008.3)(677.5262, 1260.49) 47.67 PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi-18.137074 18.137074 FindByFormula 14 Esi- LMGP02020095 723.5264 77574 (722.514, 24044.25)(723.5167, 11540.53)(724.524, 5531.94)(725.5297, 2124.73)(726.5425, 3343.41)(727.5446, 1592.98)(728.5578, 3752.04) 47.35 PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 18.14684 FindByFormula 19 Esi- LMGP02020095 723.5221 77574 (722.5145, 25997.34)(723.5181, 11966.39)(724.5246, 5787.83) 77.98 PE(O-18:0/0:0) Esi-15.567857 15.567857 FindByFormula 14 Esi- LMGP02060003 527.3604 46717 (526.3477, 503594.34)(527.3536, 81779.34)(528.3554, 18626.59)(529.3457, 3140.99) 57.67 PE(O-18:0/0:0) 16.962841 FindByFormula 26 Esi- LMGP02060003 467.3353 46717 (466.3309, 28939.23)(467.3345, 8125.08)(468.3351, 1509.57) 97.86 PE(P-16:0/0:0) Esi-15.062601 15.062601 FindByFormula 15 Esi- LMGP02070001 437.2913 46719 (436.2833, 100961.12)(437.286, 27166.0)(438.2967, 18506.03) 66.43 PE(P-16:0/0:0) 15.096802 FindByFormula 35 Esi- LMGP02070001 437.2924 46719 (436.2824, 165825.23)(437.2858, 38953.75)(438.295, 17496.64) 81.28 PE(P-18:0/0:0) 16.895216 FindByFormula 32 Esi- LMGP02070002 465.3226 46720 (464.3157, 50229.13)(465.3168, 21325.04)(466.3291, 20679.79)(467.3326, 6440.21)(468.3338, 1417.25) 45.14 PE(P-20:0/20:3(8Z,11Z,14Z)) 19.148 FindByFormula 4 Esi- LMGP02030084 781.592 77662 (780.5915, 19172.45)(781.596, 9620.53)(782.5965, 3506.06) 94.3 PE(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) 14.467332 FindByFormula 15 Esi- LMGP02030086 837.5751 77664 (836.5778, 8431.84)(837.5793, 5122.99)(838.5798, 3793.91) 47.42 PE-Cer(d14:1(4E)/16:0) 23.759 FindByFormula 9 Esi- LMSP03020002 650.4632 103041 (1299.9437, 328.0)(649.455, 4532.05)(650.4587, 2233.74)(651.4591, 10727.1)(652.4618, 4967.48)(653.4595, 1915.51) 57.1 PE-Cer(d14:1(4E)/18:0(2OH)) 9.582 FindByFormula 10 Esi- LMSP03020059 740.4876 103098 (369.238, 40820.07)(369.7316, 303.55)(370.241, 10127.88) 46.7 PE-Cer(d14:2(4E,6E)/16:0(2OH)) 19.377502 FindByFormula 20 Esi- LMSP03020066 664.4268 103105 (663.4318, 11854.38)(664.4329, 4548.07) 48.79 PE-Cer(d16:1(4E)/16:0) 23.740002 FindByFormula 7 Esi- LMSP03020019 678.5025 103058 (677.4885, 3061.42)(678.4989, 1459.7) 44.02 PE-Cer(d16:2(4E,6E)/16:0) 18.228664 FindByFormula 15 Esi- LMSP03020047 630.4766 103086 (629.471, 17285.39)(630.4745, 8084.98)(631.4749, 2483.99) 66.96 PE-Cer(d16:2(4E,6E)/16:0) Esi-18.225002 18.225002 FindByFormula 10 Esi- LMSP03020047 630.4612 103086 (629.4658, 9486.57)(630.4703, 4730.62)(631.4685, 1842.95) 79.35 Pederin Esi-13.51 13.51 FindByFormula 10 Esi- C15760 563.3415 71091 (562.326, 1374014.8)(563.3293, 478357.2) 60.98 Pederin Esi-13.385335 13.385335 FindByFormula 30 Esi- C15760 563.3367 71091 (562.3267, 399369.78)(563.331, 118100.9)(564.3386, 29107.79)(565.3417, 6603.72) 70.53 Pederin Esi-16.31723 16.31723 FindByFormula 26 Esi- C15760 549.3198 71091 (548.3072, 722689.56)(549.3151, 121340.68)(550.3171, 27422.82)(551.3167, 4849.43) 72.46 Pederin Esi-14.612331 14.612331 FindByFormula 18 Esi- C15760 503.3049 71091 (502.2983, 227594.2)(503.3035, 54527.0)(504.3083, 14359.54) 73.86 Pederin Esi-15.964503 15.964503 FindByFormula 16 Esi- C15760 549.3188 71091 (548.3108, 52520.13)(549.3135, 15415.13)(550.3272, 2594.5)(551.3102, 278.88) 74.67 Pederin 13.511996 FindByFormula 36 Esi- C15760 563.333 71091 (562.3263, 2450121.0)(563.3285, 905746.2)(564.3356, 110630.03)(565.3403, 18987.54) 76.18 Pederin Esi-16.318275 16.318275 FindByFormula 36 Esi- C15760 549.3238 71091 (548.3083, 285500.72)(549.314, 62239.06)(550.3167, 13241.55)(551.3144, 2319.06) 84.97 Pederin Esi-14.62 14.62 FindByFormula 10 Esi- C15760 503.3238 71091 (1006.5404, 19600.46)(1008.539, 5745.64)(502.3027, 117272.88)(503.3055, 36988.2)(504.3105, 10282.44)(505.317, 2096.23) 95.2 Pencycuron 23.74331 FindByFormula 35 Esi- C11012 328.1328 68771 (163.055, 296.48)(327.1264, 5808.46)(328.1265, 2042.31)(329.125, 988.36) 60.38 Penicilloic acid of 5-OH 3.2749999 FindByFormula 8 Esi- 487.0678 2706 (973.1381, 1400.96)(975.1074, 1323.46)(486.0583, 10046.01)(487.068, 424.21) 28.35 Pentacarboxyl porphyrinogen III 6.654 FindByFormula 4 HMDB01957 Esi- 820.3036 6401 (409.1501, 7245.47)(409.6471, 295.36)(410.1535, 2445.24) 63.08 Perakine 6.6962295 FindByFormula 35 Esi- C19932 350.1656 73436 (349.1594, 43635.85)(350.162, 8657.41)(351.1616, 2318.17) 68.03 Perazine 13.348 FindByFormula 2 Esi- C16903 339.1744 71418 (338.1664, 9914.58)(339.1683, 2571.01) 46.96 Perfluoroacetyl chloride 0.8343636 FindByFormula 11 Esi- 383.9564 3160 (190.9721, 43039.71)(191.9796, 2444.27) 51.32 Perfluoroacetyl chloride Esi-0.8309999 0.8309999 FindByFormula 8 Esi- 191.9796 3160 (190.9728, 33758.63)(191.9792, 1883.03) 55.09 Perfluorooctanesulfonic acid 0.65000004 FindByFormula 8 Esi- C18142 499.9407 72060 (498.9328, 19508.93)(499.9346, 5488.27)(500.934, 4392.28) 52.31 Pergolide sulfone 9.895999 FindByFormula 10 Esi- 346.1726 1789 (345.1651, 10492.41)(346.1743, 1407.63)(347.1642, 810.17) 69.8 Pergolide sulfone Esi-10.179499 10.179499 FindByFormula 16 Esi- 346.1702 1789 (345.1637, 8880.09)(346.1656, 2202.76)(347.1645, 1638.86) 79.03 Periandrin V 18.223 FindByFormula 6 HMDB39591 Esi- 778.4082 94149 (777.4065, 5745.55)(778.4085, 3729.79)(779.412, 4443.31) 69.65 Periciazine 18.390602 FindByFormula 36 Esi- D01485 425.1786 44372 (424.1701, 19972.01)(425.1741, 8641.4)(426.1742, 3008.65) 73.34 Permetin A 16.966722 FindByFormula 36 HMDB30527 Esi- 1160.7214 87040 (1159.7104, 517711.4)(1160.7153, 318218.94)(1161.7194, 91245.27)(1162.7194, 24331.32) 91.62 Permetin A Esi-16.517 16.517 FindByFormula 4 HMDB30527 Esi- 1160.7191 87040 (1159.711, 53292.82)(1160.7144, 34283.61)(1161.716, 13326.03)(1162.7166, 4022.11) 98 Perphenazine 5.958 FindByFormula 8 Esi- C07427 463.1693 1802 (462.1625, 4576.72)(463.1645, 1211.27)(464.159, 1797.6) 84.06 Petasitenine 19.402779 FindByFormula 18 Esi- C10359 427.1815 68275 (426.1769, 19710.02)(427.1795, 7937.68)(428.179, 3041.01) 69.96 Petromyzonol 17.923357 FindByFormula 25 Esi- C16258 394.3135 42884 (393.3001, 12749.05)(394.3038, 3483.85)(395.312, 1076.68) 88.37 PG(12:0/16:0) 23.910234 FindByFormula 26 Esi- LMGP04010943 712.4567 79768 (1423.8994, 586.58)(711.4447, 12046.87)(712.4459, 5961.71)(713.4449, 2902.4) 66.54 PG(12:0/17:2(9Z,12Z)) 13.199999 FindByFormula 9 Esi- LMGP04010052 676.4304 78877 (337.2086, 6666.27)(337.7028, 68.66)(338.2109, 1851.93) 70.2 PG(13:0/20:4(5Z,8Z,11Z,14Z)) 7.857232 FindByFormula 26 Esi- LMGP04010086 728.461 78911 (727.4541, 5466.99)(728.4548, 2581.16)(729.4581, 668.28) 85.47 PG(14:1(9Z)/12:0) 23.643 FindByFormula 4 Esi- LMGP04010109 636.4133 78934 (635.3899, 5620.77)(636.3907, 3499.1) 36.89 PG(14:1(9Z)/14:1(9Z)) Esi-23.622 23.622 FindByFormula 4 Esi- LMGP04010920 662.4294 79745 (661.4065, 10080.77)(662.4118, 6176.81)(663.4131, 3888.82) 67.24 PG(15:0/12:0) 13.793001 FindByFormula 10 Esi- LMGP04010139 675.443 78964 (1349.8562, 11934.48)(1350.8563, 8245.45)(1351.8672, 6783.19)(674.4652, 1279.57) 61.43 PG(15:0/16:0) 11.030667 FindByFormula 30 Esi- LMGP04010918 708.4989 79743 (353.2425, 32303.97)(353.7418, 377.49)(354.2458, 7863.11) 44.54 PG(15:0/16:0) Esi-10.005 10.005 FindByFormula 6 Esi- LMGP04010918 708.4968 79743 (353.2411, 6232.24)(353.7479, 85.9)(354.2458, 1671.71) 56.63 PG(17:1(9Z)/22:2(13Z,16Z)) 16.833 FindByFormula 2 Esi- LMGP04010275 814.569 79100 (813.5596, 27199.27)(814.5624, 14470.78) 38.81 PG(18:1(9Z)/0:0) 15.460001 FindByFormula 10 Esi- LMGP04050006 510.2968 40878 (509.2892, 4287.83)(510.2804, 809.94)(511.2906, 19540.42) 39.08 PG(18:4(6Z,9Z,12Z,15Z)/12:0) 18.323 FindByFormula 5 Esi- LMGP04010425 686.4261 79250 (685.4102, 9881.85)(686.4152, 4807.83)(687.4082, 5627.29) 61.96 PG(20:0/0:0) 13.453001 FindByFormula 20 Esi- LMGP04050015 540.3399 80003 (539.3322, 150542.97)(540.3382, 52723.08)(541.3426, 10645.56) 78.31 PG(21:0/0:0) 9.951 FindByFormula 5 Esi- LMGP04050029 554.3557 80017 (553.352, 6071.06)(554.3534, 2684.42)(555.3537, 889.47) 74.49 PG(22:1(11Z)/22:0) 23.754885 FindByFormula 36 Esi- LMGP04010751 888.6793 79576 (887.671, 27884.11)(888.6744, 18888.71)(889.6768, 7083.14)(890.6794, 3147.28) 78.28 PG(22:2(13Z,16Z)/0:0) 14.652001 FindByFormula 9 Esi- LMGP04050027 610.3433 80015 (609.3372, 405040.4)(610.3409, 65330.59)(611.3389, 11593.69) 56.18 PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0) 16.117376 FindByFormula 16 Esi- LMGP04010821 780.5025 79646 (389.2407, 19612.1)(389.7389, 197.67)(390.2432, 5369.48) 68.61 PG(P-16:0/18:4(6Z,9Z,12Z,15Z)) 15.316 FindByFormula 10 Esi- LMGP04030015 726.4847 79919 (362.2368, 5530.79)(362.7343, 123.26)(363.236, 16897.13)(725.4637, 286.92) 62.09 PG(P-20:0/18:3(9Z,12Z,15Z)) 16.806 FindByFormula 4 Esi- LMGP04030071 844.5783 79975 (843.5737, 118513.38)(844.5766, 71200.63)(845.5787, 24488.67) 84.94 PG(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 23.828001 FindByFormula 7 Esi- LMGP04030093 834.5802 79997 (833.5748, 2538.5)(834.5876, 1984.26)(835.5552, 924.54) 38.21 PGF2?-11-acetate 19.534 FindByFormula 4 Esi- LMFA03010096 396.2492 36160 (395.2419, 19105.44)(396.2439, 4636.96)(397.3307, 1293.38) 62.77 PGF2?-11-acetate methyl ester Esi-19.169 19.169 FindByFormula 5 Esi- LMFA03010097 410.2699 36161 (409.2603, 12770.11)(410.2599, 4558.39)(411.2613, 1236.0) 71.45 PGF2?-11-acetate methyl ester 19.161215 FindByFormula 19 Esi- LMFA03010097 410.2597 36161 (409.2591, 13284.52)(410.2588, 4502.57)(411.2626, 898.39) 76.31 PGI2-EA 19.75303 FindByFormula 33 Esi- LMFA03010218 441.2701 74983 (440.2623, 8517.32)(441.2625, 2412.92)(442.2652, 682.0) 61.17 Phaclofen 6.104388 FindByFormula 36 Esi- 295.0366 374 (294.0309, 16790.12)(295.0335, 3447.38)(296.0424, 811.45) 57.97 Phalaenopsine T 14.185169 FindByFormula 36 Esi- C10361 421.2134 68276 (420.2018, 7746.96)(421.2098, 2637.11)(422.2159, 326.6) 74.54 Phalloidin 15.529001 FindByFormula 10 Esi- C08439 788.3211 66976 (393.1451, 4879.66)(787.3104, 32759.8)(788.3095, 13351.64)(789.3042, 4591.74) 83.86 Phe Arg Arg Esi-13.385848 13.385848 FindByFormula 26 Esi- 523.2834 22020 (522.2763, 42779.1)(523.2792, 13782.58)(524.2884, 3699.25) 75.1 Phe Arg Arg Esi-13.995496 13.995496 FindByFormula 20 Esi- 477.2855 22020 (953.5529, 7967.32)(954.5584, 2242.87)(237.6352, 305.33)(476.2741, 1289242.1)(477.28, 303636.8)(478.2847, 44238.59)(479.2863, 7583.01) 89.01 Phe Arg Arg 13.990551 FindByFormula 36 Esi- 477.282 22020 (953.5616, 28545.49)(954.5656, 16094.49)(955.5692, 5216.99)(956.5789, 1905.53)(476.2748, 2188263.0)(477.2772, 659450.4)(478.2845, 76592.59)(479.2878, 11056.48) 94.32 Phe Arg Val 7.956 FindByFormula 6 Esi- 420.2452 22131 (419.2388, 3304.67)(420.2428, 852.75)(421.2373, 333.72) 65.93 Phe Asp Asn 15.536221 FindByFormula 18 Esi- 394.1533 17090 (393.1414, 6658.09)(394.1458, 2637.49)(395.1513, 1369.0) 62.57 Phe Cys Lys Esi-19.116 19.116 FindByFormula 2 Esi- 456.201 23470 (455.2, 9079.28)(456.2056, 3277.37)(457.2025, 1847.01) 45.48 Phe Cys Lys 15.312108 FindByFormula 36 Esi- 456.2105 23470 (455.2, 310736.6)(456.2055, 55826.09)(457.2099, 13664.87) 55.37 Phe Cys Trp 4.2250004 FindByFormula 20 Esi- 454.1646 23216 (226.0755, 19814.29)(226.5859, 28.15)(227.0781, 2655.34) 63.94 Phe His Glu 18.456999 FindByFormula 9 Esi- 431.1852 15825 (430.1763, 25442.08)(431.1714, 11974.26)(432.1702, 3565.47) 54.57 Phe Lys Lys 12.456626 FindByFormula 16 Esi- 421.2678 22916 (420.2618, 19538.74)(421.2651, 5186.47)(422.2671, 1324.45) 97.36 Phe Met Phe 17.813 FindByFormula 4 Esi- 443.1819 21161 (442.178, 10268.51)(443.1841, 3957.22)(444.1802, 2066.0) 68.05 Phe Pro Glu 15.898045 FindByFormula 22 Esi- 391.1704 16015 (390.1645, 9732.21)(391.1699, 2130.02)(392.1647, 395.8) 80.74 Phe Trp Leu 18.491 FindByFormula 6 Esi- 464.2449 15933 (463.2382, 8357.13)(464.2386, 3668.06)(465.233, 4158.95) 56.93 Phe Trp Trp Esi-14.903789 14.903789 FindByFormula 28 Esi- 629.2467 23407 (313.6156, 5346.0)(314.1273, 542.28)(314.6117, 1224.55) 33.62 Phe Trp Trp 13.960001 FindByFormula 10 Esi- 583.2531 23407 (1165.5609, 3891.44)(582.2397, 88581.36)(583.2413, 29049.25)(584.2391, 44138.83) 56.75 Phe4Cl-Nap-OH 20.360857 FindByFormula 14 Esi- 550.1148 65336 (549.1071, 7927.27)(550.1096, 3647.2)(551.1029, 64263.21) 59.33 Phe4Cl-Phe4Cl-OH 1.481 FindByFormula 2 Esi- 580.0634 64973 (289.0245, 19173.85)(289.5269, 83.55) 54.43 Phenanthrene-4-carboxylate 0.95041394 FindByFormula 29 Esi- C18253 222.0719 72097 (443.1465, 124186.31)(444.1493, 27517.96)(445.1462, 8179.77)(221.0631, 1371202.8)(222.07, 65871.23)(223.0711, 14950.75)(224.07, 1599.57) 52.36 Phe-Nap-OH 18.390177 FindByFormula 23 Esi- 516.1563 65335 (515.1472, 30748.08)(516.1504, 11563.73)(517.1558, 5607.28) 75.57 Phenisopham 18.365612 FindByFormula 36 Esi- C19061 342.158 72809 (341.1512, 14466.04)(342.1525, 4571.06)(343.152, 1084.04) 76.98 Phenmedipham 15.76175 FindByFormula 16 Esi- C18420 300.1098 72228 (299.103, 13423.09)(300.1057, 4220.66)(301.1114, 2013.17) 70.41 Phenyl sulfate 4.7562666 FindByFormula 30 Esi- C00850 174.0022 1828 (172.9933, 854008.4)(174.0004, 36078.91) 53.15 Phenyl vinyl sulfide 0.7799999 FindByFormula 30 HMDB31825 Esi- 136.0337 87948 (270.9969, 599495.9)(272.9975, 34988.8)(135.0279, 1734669.1)(136.0345, 40678.75)(137.0352, 12271.31) 78.5 Phenyl vinyl sulfide Esi-0.77684623 0.77684623 FindByFormula 26 HMDB31825 Esi- 136.0344 87948 (135.0277, 1452701.1)(136.0343, 34607.41)(137.0351, 16079.16) 79.32 Phenylamil 0.7623182 FindByFormula 22 Esi- C13752 305.078 69683 (304.072, 156451.92)(305.0738, 19302.91)(306.0721, 13028.52) 68.57 Phenylephrine 3-O-sulfate 4.976946 FindByFormula 19 Esi- 247.0551 711 (246.0454, 9776.24)(247.0467, 2104.38)(248.0524, 693.92) 61.98 Philanthotoxin 16.318485 FindByFormula 35 Esi- C20052 481.3269 73527 (961.6505, 14537.39)(962.6497, 6772.39)(963.6456, 1796.33)(480.3179, 1420442.8)(481.3256, 209210.42)(482.3279, 46407.55)(483.3286, 9554.06)(484.3349, 1466.87) 68.77 Philanthotoxin Esi-15.965054 15.965054 FindByFormula 36 Esi- C20052 481.3331 73527 (961.6701, 2720.58)(962.6577, 2058.31)(963.6833, 1000.71)(480.3183, 466626.8)(481.3253, 79093.62)(482.3272, 16592.38)(483.3274, 3112.09) 74.63 Phlegmarine 16.175941 FindByFormula 36 Esi- C09892 296.2431 67991 (295.2363, 89011.66)(296.2393, 20395.22)(297.2466, 4900.39) 70.86 Phlorisobutyrophenone 2-glucoside 4.971 FindByFormula 6 HMDB29651 Esi- 358.125 86399 (178.0554, 8892.47)(178.554, 20.66)(179.0572, 4604.07) 63.21 PHOME 17.952328 FindByFormula 36 Esi- 373.1335 64666 (372.1249, 6287.22)(373.1289, 2186.24)(374.1238, 2690.17)(375.1305, 949.35) 59.4 Phoslactomycin B 13.791884 FindByFormula 36 Esi- C15710 559.2661 71042 (558.2449, 45302.11)(559.2472, 13415.02)(560.2448, 21409.66) 38.79 Phoslactomycin B Esi-13.793 13.793 FindByFormula 6 Esi- C15710 559.2577 71042 (558.2513, 43310.29)(559.254, 14624.84)(560.2509, 18717.48) 54.64 Phosphatidyl glycerol Esi-1.2580001 1.2580001 FindByFormula 10 Esi- C03274 246.0457 186 (491.0692, 30018.73)(492.0709, 6990.02)(245.0421, 43989.98)(246.0435, 9474.47)(247.0417, 4354.16) 49.23 Phospho-L-serine 1.5112785 FindByFormula 36 Esi- C01005 185.0109 297 (184.0041, 58561.59)(185.0057, 5004.39)(186.0006, 7648.56) 53.8 Phthalazinone pyrazole 15.418886 FindByFormula 36 Esi- 363.1316 96444 (362.1276, 79259.99)(363.1303, 16476.97)(364.1311, 3317.85) 90.06 Phthalic acid Mono-2-ethylhexyl Ester 15.4031105 FindByFormula 36 Esi- C03343 278.1483 44802 (277.144, 875039.94)(278.151, 83898.3)(279.153, 12054.55) 77.73 Phthalic acid Mono-2-ethylhexyl Ester Esi-22.013496 22.013496 FindByFormula 18 Esi- C03343 278.1543 44802 (277.1432, 66684.97)(278.1458, 12553.74)(279.148, 2196.84) 90.78 Phthalic acid Mono-2-ethylhexyl Ester Esi-21.041466 21.041466 FindByFormula 15 Esi- C03343 278.1521 44802 (277.144, 108923.05)(278.1467, 21925.3)(279.1484, 3766.14) 95.72 p-Hydroxyfosinopril Esi-14.575 14.575 FindByFormula 6 Esi- 625.2993 2976 (1249.5721, 4635.62)(1250.5819, 6378.72)(624.2908, 79201.16) 30.45 p-Hydroxyfosinopril 14.849001 FindByFormula 20 Esi- 625.3016 2976 (1249.581, 3082.61)(1250.5992, 5130.19)(1251.5988, 3213.85)(1253.5686, 2409.26)(1254.5541, 1880.96)(624.2945, 71826.02) 47.55 p-Hydroxygliquidone 14.617998 FindByFormula 9 Esi- 603.2259 3124 (602.2187, 6429.21)(603.226, 2769.56) 47.89 p-Hydroxytiaprofenic acid 4.129892 FindByFormula 28 Esi- 276.0455 2845 (275.0389, 10117.79)(276.0397, 1360.16)(277.0388, 781.81) 90.55 Phyllanthin 15.334 FindByFormula 10 Esi- C10746 209.1167 68545 (417.2277, 5663.16)(418.231, 2404.72)(208.1073, 5459.59)(209.1115, 818.87)(210.1077, 130.68) 62.99 Phyllanthusol A Esi-15.091001 15.091001 FindByFormula 5 HMDB35942 Esi- 787.2875 91128 (1573.5645, 418.75)(1574.5673, 651.73)(786.2804, 9494.96) 42.32 Phyllanthusol A 13.946001 FindByFormula 10 HMDB35942 Esi- 787.2829 91128 (786.2768, 10379.34)(787.283, 4132.23)(788.2829, 1888.12) 66.46 Physalolactone 9.920999 FindByFormula 10 HMDB34333 Esi- 658.2751 89854 (328.1305, 11473.31)(328.6048, 133.07)(329.1335, 2544.55) 53.56 Phytenic acid 20.490505 FindByFormula 20 Esi- 310.2867 201 (309.2782, 3508.77)(310.2826, 935.02) 72.67 Phytyl phosphate 18.678 FindByFormula 2 Esi- LMPR0104010007 376.2717 53576 (375.2657, 10043.45)(376.2674, 2529.47)(377.2709, 1225.5) 74.62 PI(15:0/17:1(9Z)) 13.518001 FindByFormula 3 Esi- LMGP06010111 900.5271 80133 (449.2552, 10029.24)(449.7384, 134.2) 44.26 PI(16:1(9Z)/0:0) Esi-15.032 15.032 FindByFormula 10 Esi- LMGP06050009 616.2824 81174 (615.28, 22379.39)(616.2694, 11159.14)(617.2773, 7288.63) 32.43 PI(16:1(9Z)/0:0) 14.940826 FindByFormula 34 Esi- LMGP06050009 616.2847 81174 (615.2789, 29061.78)(616.2777, 10948.54)(617.2776, 9022.81)(618.2809, 2971.91) 48.84 PI(18:0/0:0) 14.020998 FindByFormula 10 Esi- LMGP06050004 600.2793 46746 (1201.5717, 516.97)(1202.5859, 1078.64)(1202.6583, 1985.66)(1202.8446, 2203.22)(1203.5835, 11575.19)(599.3162, 15184.78)(600.3187, 8808.11)(601.3223, 3289.87) 50.2 PI(18:0/22:0) 18.22893 FindByFormula 14 Esi- LMGP06010955 968.6456 80977 (967.6503, 32470.58)(968.6562, 20508.64)(969.657, 19017.57)(970.6567, 10147.54)(971.6545, 5629.68)(972.65, 3094.67)(973.65, 1921.32) 69.6 PI(18:0/22:2(13Z,16Z)) Esi-15.679 15.679 FindByFormula 6 Esi- LMGP06010289 1010.6412 80311 (504.3059, 11116.24)(504.8016, 224.43)(505.3094, 3741.28) 55.44 PI(18:0/22:2(13Z,16Z)) 15.493335 FindByFormula 15 Esi- LMGP06010289 1010.637 80311 (504.3091, 29388.19)(504.8104, 338.59)(505.3138, 8895.43) 64.03 PI(18:1(9Z)/0:0) 16.920486 FindByFormula 25 Esi- LMGP06050005 644.3136 46747 (643.3099, 24096.74)(644.3092, 9799.53)(645.3123, 7761.13)(646.3186, 2549.66) 59.41 PI(18:2(9Z,12Z)/0:0) 15.327998 FindByFormula 13 Esi- LMGP06050010 642.2993 81175 (641.294, 17874.51)(642.2952, 7484.64)(643.2936, 7327.92) 54.54 PI(18:2(9Z,12Z)/0:0) Esi-14.804 14.804 FindByFormula 8 Esi- LMGP06050010 596.3108 81175 (1191.6318, 3736.82)(1192.6329, 2382.98)(1193.6376, 1716.53)(595.2857, 34952.54)(596.292, 10106.53)(597.3036, 11322.25) 57.99 PI(18:3(9Z,12Z,15Z)/0:0) 14.3526 FindByFormula 25 Esi- LMGP06050028 640.2865 81193 (639.282, 17380.86)(640.2887, 11107.66)(641.2874, 7589.06)(642.2904, 2778.88) 45.33 PI(19:1(9Z)/0:0) Esi-15.002001 15.002001 FindByFormula 9 Esi- LMGP06050018 612.6261 81183 (1225.5892, 2067.27)(1226.5876, 3201.95)(1227.6058, 3029.18)(1228.8759, 2377.1)(1229.5969, 10159.42)(1233.6064, 8802.88)(1237.6014, 3128.83)(1238.6259, 3075.24)(611.319, 15717.92) 45.39 PI(19:1(9Z)/0:0) 14.316 FindByFormula 10 Esi- LMGP06050018 658.3341 81183 (657.3257, 95900.08)(658.3269, 25140.29)(659.3284, 5180.68) 90.68 PI(20:1(11Z)/0:0) 15.602 FindByFormula 10 Esi- LMGP06050019 686.3726 81184 (685.3599, 8806.01)(686.3636, 2865.62) 61.85 PI(22:0/19:0) 15.328001 FindByFormula 10 Esi- LMGP06010683 1965.3438 80705 (981.6659, 7486.54)(982.6678, 6665.02)(983.6653, 4461.15) 64.81 PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.808 14.808 FindByFormula 4 Esi- LMGP06010953 1058.6307 80975 (528.3091, 56723.84)(528.8037, 363.4) 56.1 PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-15.244 15.244 FindByFormula 2 Esi- LMGP06010953 1058.6306 80975 (528.3088, 39290.33)(528.802, 431.39) 57.46 PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 14.88746 FindByFormula 26 Esi- LMGP06010953 1026.6425 80975 (1025.6304, 349325.2)(1026.6371, 139399.72)(1027.634, 123763.93) 61.35 PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.567055 14.567055 FindByFormula 35 Esi- LMGP06010953 1026.6426 80975 (1025.6332, 128536.59)(1026.6357, 75576.93)(1027.6328, 67160.23) 62.51 PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-15.258001 15.258001 FindByFormula 8 Esi- LMGP06010953 1058.6337 80975 (528.3093, 43055.38)(528.8014, 256.42)(529.3127, 13964.86) 66.15 PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.902002 14.902002 FindByFormula 10 Esi- LMGP06010953 1026.6423 80975 (1025.635, 271029.7)(1026.6399, 115029.42)(1027.637, 103376.86) 68.81 PI(O-16:0/0:0) 13.409335 FindByFormula 24 Esi- LMGP06060003 604.3264 81200 (603.3196, 12432.88)(604.3106, 9789.1)(605.3173, 4065.96)(606.3189, 91730.69)(607.3217, 29143.55) 31.39 PI(O-16:0/17:1(9Z)) 15.334799 FindByFormula 10 Esi- LMGP06020009 808.5522 80993 (403.265, 18584.98)(403.7735, 396.18) 54.3 PI(P-16:0/12:0) 23.816162 FindByFormula 26 Esi- LMGP06030002 738.4718 81079 (737.464, 21633.64)(738.4665, 12410.15)(739.4612, 5067.07) 69.37 PI(P-16:0/16:1(9Z)) 12.291 FindByFormula 9 Esi- LMGP06030009 792.5211 81086 (395.2523, 5217.14)(395.7643, 153.81)(396.2562, 1804.63) 45.29 PI(P-16:0/16:1(9Z)) Esi-18.521 18.521 FindByFormula 5 Esi- LMGP06030009 792.4996 81086 (395.251, 14943.8)(395.7438, 108.86)(396.2514, 3822.81) 67.89 PI(P-20:0/20:4(5Z,8Z,11Z,14Z)) 15.065199 FindByFormula 15 Esi- LMGP06030080 958.6358 81157 (957.6051, 31574.1)(958.608, 17381.78)(959.6175, 6635.44)(960.6258, 2249.02) 91.51 PI(P-20:0/22:4(7Z,10Z,13Z,16Z)) 14.5305 FindByFormula 20 Esi- LMGP06030086 972.6214 81163 (971.6173, 46430.34)(972.6204, 26030.2)(973.6245, 10855.66)(974.6279, 3717.65) 73.3 PI(P-20:0/22:4(7Z,10Z,13Z,16Z)) Esi-14.531585 14.531585 FindByFormula 24 Esi- LMGP06030086 972.6192 81163 (971.6173, 46430.34)(972.6204, 26030.2)(973.6245, 10855.66)(974.6279, 3717.65) 73.3 Picosulfate 1.8181664 FindByFormula 24 Esi- C13072 437.0216 69531 (436.0183, 15267.8)(437.0279, 5139.06)(438.0154, 1280.34) 49.94 PIP(18:3(6Z,9Z,12Z)/18:1(9Z)) 13.977499 FindByFormula 20 HMDB09995 Esi- C00626 1072.5555 61376 (1071.5463, 157307.42)(1072.5508, 84298.71)(1073.5563, 32945.6)(1074.5496, 7867.54) 85.06 PIP3(18:0/18:1(9Z)) 23.709 FindByFormula 10 HMDB10153 Esi- C00626 1224.5156 61531 (611.2509, 19886.75)(611.745, 279.98)(612.2539, 6979.96) 67.6 Pipazethate 17.946 FindByFormula 9 HMDB15686 Esi- 399.1621 85584 (398.1537, 5637.96)(399.1571, 2782.92)(400.1641, 1308.66) 61.81 Piperochromenoic acid 20.367998 FindByFormula 8 HMDB40635 Esi- 340.2065 95113 (339.1996, 15817.47)(340.2023, 3752.13)(341.1983, 1432.91) 67.61 Piperolactam C 0.809 FindByFormula 6 HMDB38584 Esi- 309.095 93251 (308.0958, 21989.45)(309.0892, 6162.98)(310.0997, 5851.11) 57.93 Piperonyl sulfoxide 23.723248 FindByFormula 16 Esi- C19147 384.1974 72888 (383.1902, 124213.56)(384.1923, 41195.96)(385.193, 11636.5)(386.1885, 1021.73) 82.74 Pipobroman 0.961 FindByFormula 9 Esi- C07362 353.9615 44132 (352.9539, 20302.77)(353.9436, 4359.54)(354.9508, 15369.8)(355.9494, 3681.19)(356.9487, 4131.84) 56.96 Pirimiphos-ethyl 16.36273 FindByFormula 30 Esi- C19012 379.132 72763 (378.1246, 6803.73)(379.1313, 2210.67)(380.128, 477.87) 65.72 Piscerythramine Esi-15.218 15.218 FindByFormula 5 Esi- C10518 LMPK12050157 497.2095 47670 (496.2, 8018.09)(497.2017, 2915.74) 63.65 Piscerythramine 15.218712 FindByFormula 35 Esi- C10518 LMPK12050157 497.2109 47670 (496.1991, 14206.43)(497.1996, 4742.74)(498.1893, 1811.8) 76.28 Pivmecillinam Esi-8.838 8.838 FindByFormula 4 HMDB15543 Esi- 499.2323 85529 (498.226, 4072.27)(499.2271, 1569.62)(500.2309, 266.69) 66.42 Pivmecillinam 18.624 FindByFormula 8 HMDB15543 Esi- 439.2156 85529 (438.2076, 6660.53)(439.2112, 2722.05)(440.2064, 831.48) 76.64 Platycodin C Esi-14.201999 14.201999 FindByFormula 6 Esi- C17487 1326.6057 71728 (1325.6005, 7651.21)(1326.605, 5813.26)(1327.6058, 5881.11) 70.11 Platycodin D 14.827307 FindByFormula 13 Esi- C17410 1224.5782 71670 (611.2813, 35134.95)(611.7866, 334.47)(1225.5948, 3670.73)(1227.5889, 1777.63)(1228.5958, 1970.07)(1229.6106, 4799.87) 59.4 Plitidepsin 14.321222 FindByFormula 27 Esi- C16862 1169.645 71394 (1168.6359, 66378.03)(1169.6392, 38938.63)(1170.6407, 15177.51)(1171.6396, 5022.55) 85.07 Plocamene B 3.2749138 FindByFormula 35 Esi- C17110 238.0098 71569 (475.0247, 12854.17)(237.0036, 39950.77)(238.0028, 4555.07)(238.9849, 5387.75) 51.68 Polysorbate 20 16.555 FindByFormula 9 HMDB37182 Esi- 522.3427 92150 (521.3359, 9464.03)(522.3347, 3427.34)(523.3495, 1427.88) 59.44 Pomiferin Esi-15.308001 15.308001 FindByFormula 10 Esi- C10519 LMPK12050244 420.1571 44075 (419.15, 535685.06)(420.1596, 110458.17)(421.1577, 43448.45) 75.58 Pomiferin 15.309219 FindByFormula 36 Esi- C10519 LMPK12050244 420.1574 44075 (419.1496, 650065.6)(420.1586, 126394.27)(421.1571, 49688.09) 76.46 Ponceau SX 1.522 FindByFormula 6 Esi- C19510 482.0508 73193 (481.0413, 2823.19)(482.0488, 1119.34)(483.0253, 1124.03) 52.75 Posaconazole 19.311798 FindByFormula 10 HMDB15392 Esi- 760.3457 85484 (759.3425, 5621.92)(760.3437, 4083.02)(761.3427, 2358.51) 56.92 Pramipexole 1.241 FindByFormula 6 HMDB14557 Esi- 257.1218 85379 (256.1151, 10236.03)(257.1197, 2185.47) 38.07 Prazepam 1.2703334 FindByFormula 36 Esi- C07366 324.1003 66635 (161.0457, 162546.66)(161.5517, 139.95)(162.0486, 11952.21)(323.0963, 607.52) 37.76 Praziquantel 19.37869 FindByFormula 13 Esi- C07367 312.1831 2059 (311.1769, 45379.46)(312.1794, 9808.8)(313.1762, 4049.03) 81.11 Prednimustine 14.918 FindByFormula 6 Esi- C19512 691.2688 73195 (690.2609, 8492.21)(691.2629, 4219.32) 58.53 Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- Esi-16.603848 16.603848 FindByFormula 13 Esi- 346.2508 1115 (345.2429, 17180.86)(346.2456, 4558.72) 80.51 Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- 16.601 FindByFormula 8 Esi- 346.2593 1115 (345.2432, 9673.93)(346.2479, 2524.5) 81.42 Pregna-4,16-diene-3,11,20-trione 23.745075 FindByFormula 26 Esi- C15146 326.1908 70636 (325.183, 12513.43)(326.1845, 2884.99)(327.1744, 1427.85) 72.13 Pregnenolone sulfate Esi-18.647598 18.647598 FindByFormula 25 HMDB00774 Esi- C18044 LMST05020014 442.2019 5740 (441.1949, 13622.86)(442.1967, 5108.53)(443.1975, 1752.78) 79.85 Pregnenolone sulfate 19.96622 FindByFormula 36 HMDB00774 Esi- C18044 LMST05020014 396.1975 5740 (395.1908, 33720.27)(396.1927, 11526.31)(397.192, 3429.22) 83.14 Prekinamycin 0.658 FindByFormula 4 Esi- C12393 378.0822 63771 (377.0793, 14082.93)(378.0826, 2476.57) 74.32 Prieuranin Acetate 17.983 FindByFormula 1 Esi- 804.3187 43668 (803.3129, 8102.63)(804.3092, 6456.07)(805.3118, 4957.59) 38.52 Pro Arg Ile 16.41 FindByFormula 5 Esi- 384.2493 15836 (383.2432, 5682.28)(384.2513, 1312.57)(385.2415, 3078.34) 52.59 Pro Glu Glu Esi-18.266575 18.266575 FindByFormula 21 Esi- 433.175 22732 (432.1636, 64133.43)(433.1665, 25108.83)(434.1678, 6312.9) 71.31 Pro Glu Glu 18.234667 FindByFormula 12 Esi- 433.1859 22732 (432.1621, 62458.95)(433.1656, 23898.0)(434.1658, 6985.43) 74.36 Pro Glu Trp 19.345943 FindByFormula 33 Esi- 430.1872 22785 (214.084, 250.16)(429.1795, 69016.47)(430.1828, 17890.61)(431.1828, 48861.04)(432.1871, 15996.21)(433.1821, 7290.89)(434.1706, 1095.11)(435.1693, 1105.43)(436.1717, 1009.29)(437.1571, 401.76) 69.11 Pro His Arg 12.563003 FindByFormula 30 Esi- 454.229 21668 (453.2217, 43839.57)(454.2253, 11352.66)(455.226, 2732.27) 96.06 Pro His His 18.839848 FindByFormula 26 Esi- 435.1834 16927 (434.1765, 25792.24)(435.179, 9522.32)(436.2271, 2225.1) 64.12 Pro Ile Lys 16.407 FindByFormula 5 Esi- 832.5279 22672 (415.2568, 31411.33)(415.7536, 233.37) 25.74 Pro Lys Gln 16.038671 FindByFormula 36 Esi- 431.2391 22577 (430.2307, 14989.02)(431.2327, 4529.29)(432.2324, 2707.28) 70.83 Pro Lys Thr 14.167668 FindByFormula 30 Esi- 404.2204 23387 (403.2197, 19525.85)(404.223, 5095.69)(405.2259, 1528.79) 91.48 Pro Met Thr 18.2954 FindByFormula 10 Esi- 407.1811 23582 (406.1688, 6162.64)(407.1754, 1521.42)(408.165, 45523.95)(409.1678, 16156.24)(410.169, 4430.29) 58.36 Pro Met Tyr Esi-18.5 18.5 FindByFormula 10 Esi- 409.1679 22819 (408.1603, 43398.23)(409.1625, 15352.35) 62.43 Pro Met Tyr 18.4954 FindByFormula 25 Esi- 409.1698 22819 (408.1603, 71630.04)(409.1627, 24743.6)(410.1635, 7092.12) 79.47 Pro Trp Tyr 0.8264617 FindByFormula 13 Esi- 464.209 16003 (231.096, 13018.05)(231.5848, 69.88)(232.0981, 2295.29) 70.04 Pro Tyr Ile 12.856612 FindByFormula 36 Esi- 437.2182 19321 (873.4122, 267.01)(874.4157, 55.92)(875.4602, 65.41)(436.2107, 16375.16)(437.2144, 4084.36)(438.209, 6290.21)(439.2061, 1594.86)(440.2076, 508.28) 61.25 Proansamycin X 16.533998 FindByFormula 6 Esi- C12176 LMPK05000006 641.3147 41009 (1281.6523, 786.89)(1283.6467, 1033.6)(640.3099, 106843.58)(641.312, 47612.5)(642.3131, 24878.34) 62.52 Probenecid 4.063668 FindByFormula 30 Esi- C07372 345.1229 2087 (344.1168, 8826.24)(345.1181, 1473.56)(346.0994, 131.14) 81.48 Prochlorperazine sulfone 13.778 FindByFormula 8 Esi- 405.1357 2114 (404.1202, 2997.55)(405.1281, 1405.73)(406.1171, 26640.87) 61.14 Prolyl-Cysteine 8.196724 FindByFormula 36 HMDB29014 Esi- 218.0717 85912 (217.0655, 4974.0)(218.0639, 335.13)(219.0626, 2075.7)(220.0756, 253.92) 63.22 Prolyl-Methionine 10.736 FindByFormula 10 HMDB29023 Esi- 246.1061 85918 (245.0994, 5816.0)(246.1063, 674.13)(247.0954, 2168.27) 37.46 Promethazine sulfoxide 15.404781 FindByFormula 36 Esi- 346.1376 2146 (345.1303, 217441.83)(346.1353, 34036.01)(347.1375, 5742.89) 62.86 Promethazine sulfoxide Esi-1.5336301 1.5336301 FindByFormula 27 Esi- 346.1346 2146 (345.1311, 114141.41)(346.1339, 20321.21)(347.1274, 3884.62) 69.36 Propachlor 0.7662858 FindByFormula 14 Esi- C18759 211.072 44545 (210.0671, 60213.55)(211.0707, 8571.11)(212.0628, 22873.99) 69.86 Propicillan Esi-0.9485713 0.9485713 FindByFormula 14 Esi- C13110 378.1202 69538 (188.0552, 129611.83)(188.5487, 362.36)(189.0512, 23779.34) 59.86 Propicillan 13.780892 FindByFormula 36 Esi- C13110 378.1203 69538 (756.2087, 6072.43)(377.1162, 48816.23)(378.1192, 18392.31)(379.121, 5419.14) 67.67 Prorocentrolide 21.121 FindByFormula 10 Esi- C20023 979.5891 73508 (978.5921, 6152.67)(979.5949, 3658.66)(980.5955, 947.73) 83.16 Prostaglandin E2-PEG11-biotin Esi-17.033998 17.033998 FindByFormula 8 Esi- 1164.6704 63000 (1163.6582, 70772.4)(1164.6594, 51706.77) 40.63 Prostaglandin E2-PEG11-biotin Esi-14.863946 14.863946 FindByFormula 36 Esi- 1104.6569 63000 (1103.648, 552812.94)(1104.6534, 286481.62)(1105.6562, 87274.66)(1106.6569, 23709.99) 61.23 Prostaglandin E2-PEG11-biotin Esi-16.969559 16.969559 FindByFormula 36 Esi- 1164.665 63000 (1163.6582, 70772.4)(1164.6594, 51706.77)(1165.6613, 28570.17) 62.22 Prostaglandin E2-PEG11-biotin 14.567549 FindByFormula 35 Esi- 1104.6571 63000 (1103.6465, 413760.16)(1104.6516, 215990.7)(1105.6543, 69178.17)(1106.6519, 19910.96) 71.7 Prostalidin A Esi-5.978 5.978 FindByFormula 9 Esi- C10877 394.0664 68648 (393.0591, 5305.77)(394.0577, 1441.41)(395.0776, 149.05) 61.14 Prostalidin A Esi-6.4725 6.4725 FindByFormula 24 Esi- C10877 394.066 68648 (196.0253, 582.79)(393.0601, 9626.11)(394.0634, 1717.73)(395.056, 558.98) 75.93 Prothiocarb 9.804 FindByFormula 1 Esi- C18943 236.1216 72703 (235.1141, 6881.68)(236.1151, 920.5) 60.21 Protoverine Esi-13.779785 13.779785 FindByFormula 36 Esi- C10817 525.2958 68603 (1049.5989, 9996.34)(1050.5824, 6885.81)(524.2895, 1129111.0)(525.2948, 292922.2)(526.311, 58312.31) 62.94 Protoverine 13.985444 FindByFormula 18 Esi- C10817 525.2891 68603 (524.2871, 1031329.06)(525.2927, 252096.53)(526.3031, 43330.32) 83.32 PS(15:0/12:0) 16.423 FindByFormula 3 Esi- LMGP03010139 665.4075 77803 (664.4162, 27699.56)(665.4187, 11135.52)(666.4057, 2951.42) 64.38 PS(16:0/22:2(13Z,16Z)) Esi-14.971 14.971 FindByFormula 7 Esi- LMGP03010200 815.5664 77864 (814.5587, 11089.18)(815.5612, 5638.91) 60.92 PS(16:0/22:2(13Z,16Z)) 15.312861 FindByFormula 35 Esi- LMGP03010200 815.5687 77864 (814.5602, 350733.62)(815.567, 123754.92)(816.5689, 39300.79)(817.5714, 8686.29)(818.5773, 2408.2) 80.37 PS(16:0/22:2(13Z,16Z)) Esi-15.417999 15.417999 FindByFormula 10 Esi- LMGP03010200 815.5855 77864 (814.5575, 272044.75)(815.5632, 101798.41)(816.5652, 30730.59) 82.96 PS(16:1(9Z)/22:2(13Z,16Z)) 23.733614 FindByFormula 26 Esi- LMGP03010224 813.557 77888 (812.5493, 32398.81)(813.5534, 16443.65)(814.5542, 5750.59)(815.5255, 740.83) 78.98 PS(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi-14.863 14.863 FindByFormula 7 Esi- LMGP03010225 855.5304 77889 (854.5215, 14027.72)(855.5247, 7405.45)(856.53, 4386.03) 69.82 PS(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 14.600999 FindByFormula 8 Esi- LMGP03010225 855.535 77889 (854.5199, 19497.95)(855.524, 10191.02)(856.5295, 5594.77) 76.99 PS(17:0/22:1(11Z)) 15.244001 FindByFormula 10 Esi- LMGP03010245 831.6005 77909 (830.5951, 570441.2)(831.6027, 182958.55)(832.6105, 118028.54) 38.75 PS(17:0/22:1(11Z)) Esi-23.753 23.753 FindByFormula 4 Esi- LMGP03010245 831.5988 77909 (830.5937, 35269.93)(831.5965, 18795.12)(832.6018, 6418.44) 90.89 PS(18:0/19:0)[U] Esi-14.772738 14.772738 FindByFormula 19 Esi- LMGP03010037 805.5883 40822 (1612.1931, 8177.49)(1613.1965, 6703.41)(1614.2059, 7093.1)(1615.2104, 5304.6)(1617.224, 2939.58)(1619.2262, 1046.85)(804.5808, 880765.75)(805.5859, 380244.75)(806.5914, 81905.99)(807.5937, 18490.69) 68.19 PS(18:0/19:0)[U] Esi-14.462999 14.462999 FindByFormula 10 Esi- LMGP03010037 805.5852 40822 (804.58, 737593.1)(805.5855, 303726.72)(806.5906, 67863.3) 70.5 PS(18:1(9Z)/18:2(9Z,12Z))[U] 14.1640005 FindByFormula 15 Esi- LMGP03010018 785.5232 40803 (784.5181, 10118.13)(785.521, 5325.81)(786.5236, 2317.11) 69.61 PS(18:1(9Z)/22:2(13Z,16Z)) 15.34572 FindByFormula 36 Esi- LMGP03010338 841.5809 78002 (840.5726, 940817.3)(841.5764, 478503.88)(842.5806, 104799.04)(843.5772, 28585.88)(844.5734, 7745.76) 86.89 PS(18:2(9Z,12Z)/0:0) 14.550141 FindByFormula 14 Esi- LMGP03050011 521.2744 78838 (520.2676, 115100.44)(521.2707, 33467.34)(522.2753, 7797.51) 97.83 PS(18:2(9Z,12Z)/18:2(9Z,12Z))[U] 14.108 FindByFormula 1 Esi- LMGP03010016 829.5184 40801 (828.507, 6613.72)(829.5092, 3473.1)(830.5147, 2516.64) 59.1 PS(19:0/0:0) 14.0876665 FindByFormula 6 Esi- LMGP03050028 539.3169 78855 (538.3177, 110687.73)(539.3218, 28827.34) 66.85 PS(19:0/0:0) Esi-14.080001 14.080001 FindByFormula 6 Esi- LMGP03050028 1078.6486 78855 (538.3143, 58885.45)(539.3168, 18210.52) 75.56 PS(19:0/22:4(7Z,10Z,13Z,16Z)) 23.742998 FindByFormula 10 Esi- LMGP03010478 853.5827 78142 (852.5769, 11729.38)(853.5788, 6469.21) 62.47 PS(19:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 23.808 FindByFormula 5 Esi- LMGP03010509 851.5666 78173 (850.5604, 20640.36)(851.5632, 11983.8)(852.5727, 9560.72)(853.5744, 4686.51) 64.66 PS(20:0/0:0) 14.511999 FindByFormula 10 Esi- LMGP03050012 553.351 78839 (552.3336, 165457.05)(553.3375, 43154.78)(554.3105, 46240.44) 50.79 PS(20:0/22:2(13Z,16Z)) 15.32 FindByFormula 3 Esi- LMGP03010526 871.63 78190 (870.6235, 22708.11)(871.9167, 185.53) 39.92 PS(20:1(11Z)/0:0) 14.888 FindByFormula 1 Esi- LMGP03050020 551.3284 78847 (550.3188, 13509.16)(551.3209, 4790.55) 54.7 PS(20:2(11Z,14Z)/0:0) Esi-14.404 14.404 FindByFormula 8 Esi- LMGP03050021 595.3137 78848 (594.3068, 13864.22)(595.3041, 35768.45)(596.2013, 436.37) 33.79 PS(20:2(11Z,14Z)/0:0) 14.849442 FindByFormula 36 Esi- LMGP03050021 609.3244 78848 (1217.6415, 1535.27)(1218.6462, 828.19)(1219.6394, 960.93)(608.317, 1104701.5)(609.3222, 264959.56)(610.3231, 51446.8)(611.316, 8528.81) 74.05 PS(20:3(8Z,11Z,14Z)/0:0) Esi-14.658332 14.658332 FindByFormula 30 Esi- LMGP03050022 593.3064 78849 (1185.6001, 5460.91)(1186.5985, 3567.77)(1187.6111, 17223.94)(592.2932, 19553.13)(593.2949, 5767.63)(594.2892, 8190.43)(595.288, 14945.25)(596.2934, 1824.64) 51.83 PS(20:3(8Z,11Z,14Z)/0:0) 15.021277 FindByFormula 36 Esi- LMGP03050022 547.2901 78849 (546.2792, 228239.0)(547.2842, 53940.13)(548.289, 12879.02)(549.2907, 2396.46) 68.87 PS(20:4(5Z,8Z,11Z,14Z)/0:0) 13.989607 FindByFormula 36 Esi- LMGP03050007 545.277 46725 (544.2685, 126105.2)(545.2714, 39540.77)(546.2742, 8822.14)(547.2784, 1826.47) 98.98 PS(21:0/0:0) 15.075126 FindByFormula 16 Esi- LMGP03050026 567.3498 78853 (566.3419, 1221258.8)(567.3473, 322923.06)(568.3526, 63355.74)(569.3548, 11349.16) 73.13 PS(21:0/0:0) Esi-15.392713 15.392713 FindByFormula 14 Esi- LMGP03050026 567.3604 78853 (566.3481, 1290822.9)(567.3529, 367300.7)(568.3578, 55051.75)(569.3596, 9223.15) 88.62 PS(22:0/12:0) 14.6038475 FindByFormula 26 Esi- LMGP03010850 763.5353 78514 (762.5303, 16685.16)(763.5336, 7723.91)(764.537, 2905.73) 92.45 PS(22:1(11Z)/0:0) 15.078001 FindByFormula 10 Esi- LMGP03050023 579.3475 78850 (578.3419, 8005.9)(579.3463, 3119.04) 47.87 PS(22:2(13Z,16Z)/0:0) 17.095 FindByFormula 9 Esi- LMGP03050024 637.3712 78851 (1273.7039, 1616.09)(1274.701, 812.44)(636.3474, 1536342.1)(637.3508, 518513.88)(638.3552, 80189.34)(639.3541, 14563.26) 74.32 PS(22:2(13Z,16Z)/0:0) Esi-16.542263 16.542263 FindByFormula 15 Esi- LMGP03050024 1274.72 78851 (636.3542, 810373.06)(637.3597, 199352.67)(638.3623, 42694.73) 74.56 PS(22:4(7Z,10Z,13Z,16Z)/0:0) 14.334752 FindByFormula 36 Esi- LMGP03050014 633.3283 78841 (632.3162, 1113310.8)(633.3209, 320107.1)(634.3251, 60003.15)(635.3245, 11684.38) 73.99 PS(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-13.959272 13.959272 FindByFormula 36 Esi- LMGP03050014 633.3247 78841 (1265.64, 542.51)(1266.6433, 1094.45)(1267.6233, 7145.61)(632.317, 715576.25)(633.3221, 183741.16)(634.3254, 40742.02)(635.3262, 7408.86) 75.46 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0) 14.097667 FindByFormula 18 Esi- LMGP03010818 765.4614 78482 (764.4481, 12260.3)(765.4519, 6710.86)(766.4492, 2163.69) 76.72 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:1(9Z)) 14.239 FindByFormula 10 Esi- LMGP03010822 821.4874 78486 (1641.9689, 24241.97)(1642.9688, 23667.59)(820.4843, 3939.47)(821.4817, 2193.83)(822.4851, 793.52) 48.89 PS(O-16:0/0:0) 5.6136093 FindByFormula 36 Esi- LMGP03060003 529.3003 78863 (528.292, 166740.6)(529.2955, 44771.34)(530.2974, 8575.39)(531.3002, 1481.88) 89.82 PS(O-18:0/0:0) 13.735 FindByFormula 4 Esi- LMGP03060002 557.3329 78862 (556.3229, 72857.02)(557.3256, 18362.87) 65.38 PS(O-18:0/18:4(6Z,9Z,12Z,15Z)) 6.0579996 FindByFormula 10 Esi- LMGP03020031 769.5262 78678 (768.5191, 2859.93)(769.5186, 1930.44)(770.5225, 592.44) 72.77 PS(P-16:0/18:4(6Z,9Z,12Z,15Z)) 15.401167 FindByFormula 36 Esi- LMGP03030015 799.5007 78755 (798.4909, 153382.81)(799.4945, 70165.36)(800.4973, 21305.28)(801.4979, 4671.76)(802.4991, 1461.39) 95.67 PS(P-18:0/12:0) 1.0830001 FindByFormula 10 Esi- LMGP03030028 691.4792 78768 (344.7341, 7592.54)(345.2495, 86.14)(690.4869, 1500.62) 37.56 PS(P-18:0/20:4(5Z,8Z,11Z,14Z)) 14.0416355 FindByFormula 11 Esi- LMGP03030090 855.5603 78830 (854.5536, 9635.88)(855.5567, 5379.95)(856.5604, 2207.25) 88.14 PS(P-20:0/14:0) 23.7525 FindByFormula 12 Esi- LMGP03030058 793.5405 78798 (792.534, 6397.79)(793.5421, 4635.83)(794.5435, 6341.85)(795.5436, 3973.0) 49.79 Pseudouridine 0.94733346 FindByFormula 36 HMDB00767 Esi- C02067 244.0706 5734 (243.0636, 84508.7)(244.0667, 10850.36)(245.0603, 31178.35)(246.0607, 6520.33)(247.0571, 828.49) 56.92 Psilocybin 6.0937223 FindByFormula 36 Esi- C07576 284.098 66689 (567.1846, 2141.35)(568.191, 718.26)(569.1786, 334.58)(283.0864, 453053.8)(284.0927, 41653.5)(285.094, 7796.99) 79.57 psychosine sulfate Esi-11.777 11.777 FindByFormula 6 Esi- C02744 LMSP08000002 541.2942 57589 (269.644, 91.86)(540.2875, 50776.96)(541.2901, 17008.52)(542.2933, 4293.46) 75.28 psychosine sulfate 14.602 FindByFormula 3 Esi- C02744 LMSP08000002 601.3005 57589 (600.3033, 40479.83)(601.3059, 11462.03)(602.3117, 5915.82) 80.55 PtdIns-(1,2-dioctanoyl) 13.785691 FindByFormula 26 Esi- 586.2843 44997 (585.2693, 74811.13)(586.2724, 28665.38)(587.2738, 7534.91)(588.2638, 6802.1) 84.61 PtdIns-(3,4,5)-P3 (1-stearoyl, 2-arachidonoyl) 0.7020001 FindByFormula 6 Esi- 2344.9482 63029 (1171.4576, 10388.89)(1172.4586, 5150.17) 56.77 Ptilosteroid C 19.24 FindByFormula 3 Esi- LMST02030214 430.2027 84304 (429.1987, 11971.11)(430.2018, 3663.54) 45.79 Pyrene-1,8-dione 0.90200007 FindByFormula 10 Esi- C18258 232.0517 72102 (115.0142, 40904.13)(115.5169, 333.38)(231.0459, 66759.91)(232.0445, 15188.44) 70.9 Pyridafenthion 3.2172868 FindByFormula 35 Esi- C18762 340.0644 72534 (679.115, 2148.99)(680.1122, 1860.54)(339.0575, 48297.88)(340.06, 9348.83)(341.0613, 2732.18) 93.75 Pyridate 18.391798 FindByFormula 10 Esi- C18803 438.1359 72571 (437.1284, 8509.7)(438.1318, 3247.94)(439.1324, 3368.46) 67.29 Pyriminobac-methyl 0.8394208 FindByFormula 19 Esi- C18486 361.1311 72292 (360.1213, 19274.47)(361.1219, 5000.12)(362.1098, 2505.33) 65.91 Pyrrhoxanthin 15.071999 FindByFormula 16 Esi- LMPR01070008 612.336 41281 (1223.679, 23919.4)(1224.6807, 14992.88)(1225.674, 7039.91)(611.3234, 11470.09) 64.46 Quercetin 3-(3'',6''-di-p-coumarylglucoside) 23.684 FindByFormula 1 Esi- LMPK12112146 756.1572 50562 (377.0767, 21079.23)(377.5915, 205.39) 56.99 Quercetin Tetramethyl (5,7,3',4') Ether 10.624002 FindByFormula 20 Esi- 716.2186 44016 (357.1012, 7573.47)(358.1011, 1793.72) 58.53 Quillaic acid 3-[galactosyl-(1-2)-glucuronide] 19.525 FindByFormula 3 HMDB33404 Esi- 916.4301 89244 (457.2073, 14126.09)(457.6955, 107.54) 56.37 Quinagolide glucuronide 23.699608 FindByFormula 36 Esi- 571.2637 2212 (570.2529, 1306021.0)(571.2567, 474194.7)(572.2622, 60812.98)(573.2643, 10010.09) 58.6 Quinestrol 15.313767 FindByFormula 26 Esi- C07619 LMST02010037 364.2425 41830 (181.1193, 313.18)(363.2356, 20025.91)(364.2392, 5183.84)(365.2341, 2179.8) 68.81 Quinquenoside IV 14.298998 FindByFormula 10 HMDB32829 Esi- 2365.222 88750 (1181.6003, 7620.03)(1182.6086, 13060.55)(1183.6049, 8792.62)(1184.0706, 625.97)(1185.6183, 8267.59) 64.04 R-3-(Methylthio)-1-hexanol 10.838498 FindByFormula 20 HMDB40153 Esi- 194.0991 94693 (193.0915, 9090.45)(194.0937, 1453.81)(195.0868, 50.41) 77 R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one 16.867002 FindByFormula 7 Esi- 407.2316 65462 (406.2249, 3483.68)(407.2217, 1499.84) 51.87 Ranolazine 19.164652 FindByFormula 23 HMDB14388 Esi- 427.2508 85351 (426.2426, 3336.8)(427.2384, 1540.37)(428.2374, 393.3) 58.31 Rebaudioside C 18.003 FindByFormula 7 Esi- 950.4386 84999 (949.429, 7926.42)(950.4315, 4682.65)(951.4303, 2146.96) 82.01 Rebaudioside D 16.316 FindByFormula 6 HMDB34948 Esi- 1248.5327 90323 (623.2553, 17133.83)(623.7559, 444.27)(624.246, 447.27) 67.5 Red chlorophyll catabolite 11.776 FindByFormula 18 Esi- C18022 626.2729 63971 (625.2622, 11079.6)(626.2664, 4070.11)(627.2735, 739.34) 74.43 Rengasin trimethyl ether 14.11 FindByFormula 6 Esi- LMPK12130052 342.1177 52467 (341.1063, 33011.25)(342.1107, 8984.53) 49.89 Renilla luciferin Esi-17.47116 17.47116 FindByFormula 36 Esi- C00982 407.1625 65547 (406.1578, 40930.26)(407.1609, 13744.4)(408.1624, 4371.0) 85.19 Renilla luciferin Esi-17.472998 17.472998 FindByFormula 10 Esi- C00982 407.1657 65547 (406.1578, 40930.26)(407.1609, 13744.4)(408.1624, 4371.0) 85.19 Renilla luciferin 17.600851 FindByFormula 35 Esi- C00982 407.1623 65547 (406.1568, 26723.46)(407.1605, 8874.36)(408.161, 2572.4)(409.1668, 730.3) 90.91 Rescinnamine Esi-16.316877 16.316877 FindByFormula 33 Esi- C06540 634.3034 3683 (633.2858, 27148.28)(634.2871, 599.25)(635.2825, 135.53) 52.28 Rescinnamine Esi-15.041779 15.041779 FindByFormula 36 Esi- C06540 694.3034 3683 (1387.585, 970.81)(1388.5703, 813.93)(1389.5999, 490.03)(1391.5746, 2207.15)(1393.5895, 2438.28)(1395.5906, 1129.0)(1400.5219, 822.76)(693.3027, 66009.48)(694.3035, 24683.34)(695.2987, 7339.74) 82.08 Rescinnamine 14.606031 FindByFormula 33 Esi- C06540 694.3035 3683 (693.3038, 76439.33)(694.304, 30093.11)(695.3026, 8768.14) 86.99 Rescinnamine Esi-14.838336 14.838336 FindByFormula 30 Esi- C06540 694.3098 3683 (693.3027, 77166.06)(694.3041, 28289.13)(695.3029, 8116.35) 87.91 Reserpic acid 16.28881 FindByFormula 21 Esi- 400.2017 2255 (399.1939, 33616.93)(400.1967, 12447.56)(401.1966, 4621.93) 74.25 Resiniferatoxin 14.177 FindByFormula 10 Esi- C09179 688.2969 67492 (1375.6007, 5766.78)(1376.5317, 296.97)(687.2815, 43784.18)(688.2803, 20060.4)(689.2825, 14496.01) 57.79 Resolvin E2 23.751396 FindByFormula 36 Esi- C18173 LMFA03070020 334.2184 36355 (667.4328, 4444.87)(668.4392, 4269.15)(669.4421, 2739.76)(333.2092, 11591.5)(334.2115, 2676.28)(335.2015, 1359.75) 73.39 Resorcinolnaphthalein 6.7578597 FindByFormula 28 Esi- 382.083 64793 (381.0764, 5896.7)(382.0773, 1785.33)(383.0825, 324.94) 89.52 Retrofractamide D 20.351004 FindByFormula 16 HMDB33450 Esi- 387.2034 89282 (386.1968, 4265.65)(387.1872, 425.93)(388.1994, 207.06) 55.94 Rhein sulfate 1.533 FindByFormula 10 Esi- 424.0023 2416 (423.0048, 15127.05)(424.0036, 2584.02)(424.9951, 6970.21) 49.29 Rhizochalinin D 23.750746 FindByFormula 16 Esi- LMSP01080039 706.536 53939 (705.529, 5907.25)(706.5314, 2835.93)(707.5237, 1400.42)(708.5217, 450.31) 73.3 Rhizochalinin D Esi-22.570372 22.570372 FindByFormula 16 Esi- LMSP01080039 646.5144 53939 (645.5067, 4191.58)(646.5104, 2110.28)(647.5119, 825.08) 83.91 Rhizochalinin D Esi-23.732 23.732 FindByFormula 6 Esi- LMSP01080039 706.5335 53939 (705.5298, 9949.83)(706.5299, 4773.32)(707.5324, 1420.5) 84.62 Ribavirin 5'-phosphate 1.153 FindByFormula 4 Esi- 370.0511 2297 (369.0449, 12146.97)(370.0476, 2520.42)(371.0522, 1837.66) 72.62 Ribosylimidazoleacetic acid 5.7340007 FindByFormula 10 HMDB02331 Esi- C05131 258.0883 6626 (257.0812, 6243.72)(258.0814, 1083.0)(259.0635, 454.53) 55.41 Ricinoleic Acid methyl ester 18.418 FindByFormula 2 Esi- 312.273 45190 (311.2571, 8764.0)(312.2593, 1974.51) 68.12 Riddelline 18.339998 FindByFormula 20 Esi- C10375 409.1675 68288 (408.166, 48264.11)(409.1693, 17296.61)(410.1704, 5178.3) 79.51 Rifamycin Esi-15.079023 15.079023 FindByFormula 35 Esi- C12044 LMPK05000005 697.3099 41003 (1393.5856, 2689.66)(1396.5885, 1501.82)(1397.5723, 1774.77)(1400.5585, 1563.89)(1401.6052, 2400.16)(1402.5975, 1953.47)(1405.5466, 866.91)(696.3056, 26610.69)(697.308, 11461.0)(698.3035, 9064.24) 62.73 Rifamycin 15.484999 FindByFormula 10 Esi- C12044 LMPK05000005 697.3162 41003 (1393.62, 3368.89)(1394.6176, 2474.43)(1395.614, 1332.08)(696.3031, 41041.12)(697.308, 17112.29)(698.3037, 6316.08) 88.67 Rifamycin S 14.198 FindByFormula 10 Esi- C14540 695.298 63725 (1389.5939, 3820.71)(1390.5917, 2865.05)(1391.5967, 1347.98)(1393.5533, 2326.58)(694.292, 14833.77)(695.2916, 6487.82)(696.2971, 45456.84) 48 Rifamycin S Esi-13.958 13.958 FindByFormula 8 Esi- C14540 695.2882 63725 (694.2854, 25751.92)(695.2894, 10887.81)(696.2894, 10605.1) 66.07 Risperidone 20.4899 FindByFormula 36 HMDB05020 Esi- C07238 410.213 2348 (409.2058, 85682.2)(410.2079, 32485.96)(411.2087, 9153.73) 78.44 Ritonavir Esi-15.103308 15.103308 FindByFormula 26 Esi- C07240 720.3168 43377 (1439.5968, 1174.37)(1440.5894, 1173.4)(719.3105, 44897.73)(720.3125, 17751.53)(721.3101, 5514.78) 68.02 Ritonavir Esi-15.33237 15.33237 FindByFormula 19 Esi- C07240 720.3174 43377 (1440.5872, 1228.27)(719.3097, 38886.67)(720.3106, 13668.97)(721.3116, 4498.42) 71.06 Ritonavir 15.491277 FindByFormula 36 Esi- C07240 720.3218 43377 (1439.599, 863.41)(1440.6193, 585.47)(719.307, 74414.06)(720.3079, 26529.81)(721.3077, 7518.55) 83.61 R-L3 18.01786 FindByFormula 21 Esi- C13824 457.1738 69719 (456.1703, 49510.64)(457.1749, 19969.44)(458.1755, 6007.25)(459.1722, 1899.53) 72.16 RO 40-5966 (Methylmibefradil Metabolite) 11.485718 FindByFormula 36 Esi- 483.2919 1280 (482.285, 8650.76)(483.289, 3207.95)(484.2823, 2669.2) 59.43 Romidepsin 23.615334 FindByFormula 6 Esi- 586.2151 85200 (585.2075, 76750.34)(586.2111, 37001.52)(587.213, 11932.19) 60.95 Rosmarinine 14.602999 FindByFormula 10 Esi- C10380 353.183 68291 (352.1733, 11728.66)(353.1803, 3086.59) 54.11 Rosoxacin 13.106 FindByFormula 6 HMDB14955 Esi- 340.1058 85436 (339.0982, 4967.88)(340.1067, 1375.05) 64.61 Rosuvastatin 15.311998 FindByFormula 8 HMDB15230 Esi- 541.1945 44178 (540.1836, 28149.58)(541.1813, 4491.58)(542.1727, 2244.75) 64.12 Rutaecarpine 8.195353 FindByFormula 17 Esi- C09238 287.1047 67545 (286.0964, 5550.46)(287.096, 1005.74)(288.1033, 322.97) 66 Ryanodine 13.226999 FindByFormula 9 Esi- C08705 539.2351 67139 (538.2271, 6976.25)(539.2263, 1876.57)(540.2318, 658.5) 71.4 S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate 0.7852776 FindByFormula 36 HMDB37786 Esi- 158.0403 92601 (315.0896, 31900.96)(157.0332, 1028661.0)(158.0387, 34184.55)(159.0323, 5072.98) 84.3 S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate Esi-0.7838333 0.7838333 FindByFormula 12 HMDB37786 Esi- 158.0423 92601 (157.0327, 478691.2)(158.0379, 19026.82)(159.0325, 2539.14) 86.53 S-(p-Azidophenacyl)glutathione 0.9078181 FindByFormula 11 Esi- C11315 466.1298 4089 (465.1204, 445488.25)(466.1264, 49998.32)(467.1209, 17301.3) 71.97 S-(p-Azidophenacyl)glutathione Esi-1.1509472 1.1509472 FindByFormula 19 Esi- C11315 466.1317 4089 (465.1232, 89171.34)(466.1257, 17012.62)(467.1085, 10155.82)(468.0896, 2864.15)(469.1003, 615.5) 78.57 S-(p-Azidophenacyl)glutathione Esi-0.6489999 0.6489999 FindByFormula 16 Esi- C11315 512.1397 4089 (511.1244, 11159.04)(512.126, 2980.64)(513.126, 1188.35) 93.89 Saccharocin 23.768456 FindByFormula 36 Esi- C17998 540.2647 71994 (1079.5328, 2296.75)(539.2557, 22355.27)(540.2595, 7633.26)(541.2726, 4117.31) 69.1 Sachaliside 2 20.781 FindByFormula 8 Esi- LMPK12020045 584.1935 47261 (583.1853, 5999.93)(584.185, 2399.57) 56.29 Salannin 15.478845 FindByFormula 33 Esi- C08780 642.2993 67197 (641.2931, 16904.2)(642.2927, 7329.23)(643.2926, 7416.24)(644.294, 2894.23)(645.2959, 1587.66)(647.2817, 336.08) 51.43 Salermide 8.746001 FindByFormula 7 Esi- 394.1671 44841 (196.0705, 390.4)(393.1598, 9172.79)(394.1627, 2421.69)(395.1595, 438.94) 90.04 Salfredin B11 Esi-7.3450003 7.3450003 FindByFormula 10 HMDB41325 Esi- 278.0788 95734 (277.073, 5320.15)(278.0722, 1408.08)(279.0777, 626.09) 68.53 Salfredin B11 0.876 FindByFormula 6 HMDB41325 Esi- 556.1522 95734 (277.0709, 16618.12)(278.076, 1364.8) 70.04 Salsalate 1.1387829 FindByFormula 23 Esi- D00428 258.0503 43330 (257.0432, 58886.75)(258.0454, 7046.23)(259.0401, 21944.28)(261.0259, 547.55) 52.21 Sarcoaldesterol A 20.351753 FindByFormula 16 Esi- C19656 476.3867 73280 (475.3791, 16572.19)(476.3826, 5988.42)(477.3878, 6030.7)(478.3925, 1945.45) 69.22 Sarcodon scabrosus Depsipeptide 23.85492 FindByFormula 26 HMDB41421 Esi- 531.2782 95818 (1061.5428, 3584.49)(1062.5448, 2713.03)(1063.5535, 1250.29)(530.2732, 5906.0)(531.2749, 3208.78)(532.2707, 985.11) 63.11 Sarcodon scabrosus Depsipeptide Esi-23.7713 23.7713 FindByFormula 26 HMDB41421 Esi- 531.2759 95818 (1061.5428, 3584.49)(1062.5448, 2713.03)(1063.5535, 1250.29)(530.2722, 5575.22)(531.2732, 3095.38)(532.2784, 1010.39) 69.5 Sarin Esi-3.2379997 3.2379997 FindByFormula 6 Esi- C11764 186.0494 69203 (185.0407, 611594.56)(186.0491, 21419.48)(187.0483, 4134.77) 67.88 Sarin Esi-5.404 5.404 FindByFormula 3 Esi- C11764 200.0672 69203 (199.0561, 419616.6)(200.0623, 20037.62)(201.0634, 3913.38) 74.07 Sarin Esi-3.2831213 3.2831213 FindByFormula 25 Esi- C11764 186.0496 69203 (371.0815, 11163.34)(372.0824, 3458.05)(185.0402, 643336.06)(186.0471, 24962.12)(187.0478, 4911.34) 77.73 Sarin 3.2767782 FindByFormula 36 Esi- C11764 186.0474 69203 (371.0804, 7624.71)(372.0811, 2445.95)(375.0796, 333.34)(185.0401, 703830.4)(186.047, 26374.62)(187.0484, 5344.86) 79.13 Sarmentoside B 12.246 FindByFormula 5 Esi- 664.3084 43771 (663.3041, 11044.34)(664.3087, 4576.05)(665.3074, 2580.58) 73.88 Sarpagine Esi-19.119 19.119 FindByFormula 5 Esi- C09239 356.1574 64351 (355.1634, 1030597.8)(356.1679, 206493.92)(357.1701, 44420.26) 76.63 Sarpagine 19.117002 FindByFormula 10 Esi- C09239 356.1752 64351 (355.1641, 951997.1)(356.1692, 181472.95)(357.1708, 41220.46)(358.1738, 6721.87) 81.78 SB 206553 12.902753 FindByFormula 28 Esi- C11740 352.156 69189 (351.148, 6979.93)(352.1485, 1458.34)(353.1515, 1229.35) 63.72 SC-19220 Esi-5.9678755 5.9678755 FindByFormula 16 Esi- 754.1586 45606 (376.069, 13531.84)(377.0801, 2235.56) 49.42 SC-19220 6.467765 FindByFormula 34 Esi- 377.0746 45606 (376.0695, 18762.51)(377.0735, 3697.94)(378.0821, 887.99) 61.23 SC-19220 Esi-5.969728 5.969728 FindByFormula 22 Esi- 377.0767 45606 (376.0704, 21023.16)(377.0726, 4393.14)(378.0738, 1395.98) 65.72 Scarlet Red 23.74738 FindByFormula 16 Esi- C19520 380.1638 73202 (759.3101, 1971.43)(761.328, 84.03)(379.1567, 14699.79)(380.1596, 4848.18) 78.19 Scillipheosidin 3-[glucosyl-(1-2)-rhamnoside] 15.879 FindByFormula 10 HMDB36946 Esi- 708.3377 91934 (707.3322, 14213.93)(708.3269, 5894.32)(709.307, 3627.54) 38.52 Scriptaid 16.573149 FindByFormula 26 Esi- 326.1236 64766 (325.1182, 33144.86)(326.1202, 10194.24)(327.1219, 3131.26) 72.59 Scriptaid Esi-16.334997 16.334997 FindByFormula 10 Esi- 326.1262 64766 (325.1197, 12445.74)(326.1217, 3968.74)(327.1265, 1726.62) 75.9 Scutianine F 15.92375 FindByFormula 4 Esi- C10014 651.3452 68093 (650.3357, 10688.09)(651.3409, 10494.08)(652.3336, 7099.34) 60.86 Se-Adenosylselenohomocysteine 19.379229 FindByFormula 35 HMDB11117 Esi- C05692 472.0714 61983 (471.0734, 18027.71)(472.0768, 4834.7)(473.0713, 12268.8)(474.074, 3667.02)(475.0679, 2863.21)(476.0727, 968.93) 44.96 Secogalioside 0.954 FindByFormula 6 Esi- C11674 466.1323 69151 (465.1236, 12718.62)(466.1277, 3023.88)(467.1221, 496.84) 88.6 Secoisotetrandrine 16.899752 FindByFormula 16 HMDB41246 Esi- 712.296 95664 (711.2972, 21179.5)(712.2956, 9518.47)(713.3002, 10784.85)(714.2957, 4815.68)(715.3141, 5680.82) 50.95 Sedoheptulose 1-phosphate 5.64104 FindByFormula 25 Esi- C06222 336.0452 66357 (335.0377, 11097.09)(336.0371, 1675.16)(337.0383, 486.52) 74.18 Senkirkine 19.308 FindByFormula 10 Esi- C10396 411.1849 68302 (410.1821, 39242.34)(411.1853, 14282.85)(412.187, 4324.68)(413.1695, 692.63) 80.27 Ser Arg Lys 23.759504 FindByFormula 20 Esi- 435.2454 21940 (869.4683, 1170.68)(434.2365, 4073.93)(435.2373, 1455.06)(436.2421, 1401.21) 67.49 Ser Arg Thr 19.633276 FindByFormula 36 Esi- 408.1975 16028 (407.1905, 84518.94)(408.1927, 31605.6)(409.1934, 8671.74) 71.26 Ser His Asn 17.87 FindByFormula 2 Esi- 402.1624 22299 (401.1423, 12303.61)(402.1436, 4512.25) 58.24 Ser Leu Lys 9.895778 FindByFormula 36 Esi- 392.2297 15955 (391.2201, 259292.03)(392.2258, 49755.98)(393.2303, 9410.85) 90.58 Ser Val Gln 14.118114 FindByFormula 36 Esi- 378.167 15843 (377.1651, 29039.05)(378.1658, 6370.79)(379.1694, 2597.1) 62.83 Ser Val Gln Esi-12.19894 12.19894 FindByFormula 36 Esi- 378.1746 15843 (377.1665, 10336.34)(378.1696, 2644.1)(379.1704, 1117.85) 77.36 Sertraline Carbamic acid glucuronide 19.127337 FindByFormula 9 Esi- 525.0953 2419 (524.0865, 18944.77)(525.0894, 7473.0)(526.0886, 1865.11) 60.81 Setarin 1.329 FindByFormula 5 HMDB38115 Esi- 202.0602 92865 (201.0539, 23226.51)(202.0682, 5688.8)(203.0537, 2133.36) 59.89 S-ethyl N-[4-(trifluoromethyl)phenyl] Isothiourea 0.79529405 FindByFormula 17 Esi- 248.0618 64868 (123.0257, 216.88)(247.0528, 10065.92)(248.052, 907.09)(249.047, 4586.24) 57.72 S-Furanopetasitin 19.24377 FindByFormula 31 HMDB36131 Esi- 432.1963 91287 (431.1891, 287152.03)(432.1942, 70627.09)(433.193, 22031.32)(434.1998, 4284.81) 94 Silafluofen 18.925 FindByFormula 17 Esi- C18412 454.199 72220 (453.19, 9593.08)(454.1958, 3550.18)(455.1892, 19224.42)(456.1922, 8006.38)(457.1938, 2678.2) 53.15 Sinapoylspermine 23.945087 FindByFormula 33 HMDB33479 Esi- 468.2918 89302 (467.2859, 21331.32)(468.2865, 8795.82)(469.2851, 2960.4) 51.03 Sinapoylspermine Esi-24.220377 24.220377 FindByFormula 16 HMDB33479 Esi- 468.2994 89302 (467.2889, 12922.75)(468.2895, 5709.06)(469.2856, 1573.39) 64.94 Sisomicin 10.614499 FindByFormula 6 Esi- C00494 493.2747 43332 (492.269, 7875.15)(493.2629, 4859.78)(494.2648, 1686.38) 38.88 Slaframine 0.877 FindByFormula 2 Esi- C06185 290.1453 64439 (144.0654, 17621.55)(144.5679, 102.1) 40.33 S-Methyl benzenecarbothioate 0.8468332 FindByFormula 12 HMDB29694 Esi- 152.03 86429 (151.0208, 737299.9)(152.0267, 26416.47)(153.0258, 8604.58) 74.48 S-Methyl butanethioate 6.0210557 FindByFormula 36 HMDB31191 Esi- 164.051 87482 (163.0439, 45998.66)(164.0469, 5329.17)(165.0498, 1080.52) 85.53 S-methylcaptopril 10.623 FindByFormula 10 Esi- 580.2391 1475 (289.1129, 5875.06)(290.1133, 1290.58) 59.3 S-methylcaptopril Esi-10.622001 10.622001 FindByFormula 10 Esi- 290.12 1475 (289.1134, 6209.35)(290.1113, 521.61)(291.1112, 732.66) 65.39 sn-3-O-(geranylgeranyl)glycerol 1-phosphate 11.950385 FindByFormula 36 Esi- C04590 LMGP10060002 564.3039 46751 (281.1438, 25348.5)(281.631, 112.82)(282.148, 4505.81) 44.38 sn-3-O-(geranylgeranyl)glycerol 1-phosphate Esi-11.946 11.946 FindByFormula 10 Esi- C04590 LMGP10060002 564.3034 46751 (281.1448, 20473.5)(281.6394, 93.3)(282.1485, 3531.02) 62.11 Somocystinamide A byproduct 18.324415 FindByFormula 17 Esi- 686.4126 65448 (685.4053, 5653.55)(686.4087, 2704.45)(687.4044, 3021.36)(688.4069, 1982.52)(689.402, 1227.12) 69.79 Sparfloxacin 12.157999 FindByFormula 7 Esi- C07662 452.1883 66707 (451.1826, 5705.48)(452.1812, 1476.97) 66.26 Spergualin 15.529479 FindByFormula 25 Esi- C16747 463.3105 71307 (462.304, 143574.28)(463.3073, 38519.75)(464.3164, 17184.57) 78.79 Sphingofungin A 10.359502 FindByFormula 14 Esi- LMSP01080061 431.2998 53961 (430.2912, 10024.02)(431.292, 2901.27)(432.2888, 541.39) 78.74 Sphingofungin C Esi-13.721 13.721 FindByFormula 15 Esi- LMSP01080063 477.2943 53963 (953.589, 7908.35)(954.5958, 4565.29)(955.5954, 1603.13)(476.2854, 873195.9)(477.2933, 130524.87)(478.3014, 54486.85) 65.88 Sphingofungin C 13.722998 FindByFormula 30 Esi- LMSP01080063 477.2956 53963 (953.5862, 6006.2)(954.5898, 3247.05)(955.5926, 1459.86)(476.2836, 885612.25)(477.2898, 173807.25)(478.2985, 52716.08)(479.3024, 11964.62) 71.63 Sphingofungin F 14.45406 FindByFormula 36 Esi- LMSP01080066 461.2981 53966 (460.2944, 18689.66)(461.2983, 6178.69)(462.3085, 2637.25) 50.06 Spinacetin 3-gentiobioside 23.954231 FindByFormula 26 Esi- LMPK12112901 670.1779 51313 (669.1698, 13204.89)(670.1735, 6543.62)(671.1735, 3118.99) 68.34 Spinacoside D 20.361109 FindByFormula 19 HMDB34871 Esi- 764.4017 90259 (381.1944, 57957.57)(381.6882, 75.6)(382.1957, 15424.08) 52.28 Spinosyn K 17.96443 FindByFormula 14 Esi- C15708 763.443 71040 (1525.8783, 1104.81)(1526.8695, 1062.39)(1527.877, 749.24)(762.4423, 44700.87)(763.4443, 12643.88)(764.4449, 3229.05) 74.91 SQMG(0:0/16:1(13Z)) 23.752995 FindByFormula 36 Esi- LMGL04010007 554.2756 46637 (1107.5624, 258.1)(553.2665, 709911.2)(554.2743, 144788.2)(555.2767, 33415.07) 73.05 SQMG(0:0/16:1(13Z)) Esi-23.754251 23.754251 FindByFormula 16 Esi- LMGL04010007 554.2753 46637 (553.2669, 628945.94)(554.2744, 131802.23)(555.2767, 30721.27) 75.94 SQMG(0:0/16:1(13Z)) Esi-10.912001 10.912001 FindByFormula 9 Esi- LMGL04010007 600.2712 46637 (599.2766, 10695.64)(600.277, 4058.52)(601.2796, 1709.81) 80.11 SR 144528 13.723971 FindByFormula 35 Esi- 535.2564 63003 (534.2518, 26043.03)(535.2524, 9587.18)(536.2503, 12508.72)(537.2491, 4713.2) 80.8 S-Ribosyl-L-homocysteine Esi-8.8359995 8.8359995 FindByFormula 10 Esi- C03539 327.1012 63431 (326.0937, 4228.8)(327.0953, 934.2)(328.0739, 1168.33) 52.85 S-Ribosyl-L-homocysteine 10.769922 FindByFormula 26 Esi- C03539 327.1012 63431 (326.0916, 283427.97)(327.0971, 29347.39)(328.0989, 5710.3) 83.68 SRT 1720 18.807 FindByFormula 2 Esi- 515.1727 64711 (514.165, 5541.99)(515.165, 1854.72) 53.84 Stearic acid 20.361328 FindByFormula 36 HMDB00827 Esi- C01530 LMFA01010018 284.2712 189 (283.2641, 29185.09)(284.2669, 6783.42)(285.2669, 1154.73) 95.01 Stigmatellin Y 23.752 FindByFormula 9 Esi- C12150 484.2717 69325 (483.2749, 29045.88)(484.2793, 9925.64) 76.6 Streptidine 0.77800006 FindByFormula 3 Esi- C00837 262.1384 65537 (130.0621, 77067.27)(130.5639, 1624.84) 68.63 Strophanthidin Semicarbazide 14.545554 FindByFormula 36 Esi- 521.2744 44254 (520.2632, 255610.14)(521.2689, 49353.08)(522.273, 11825.88)(523.277, 2339.69) 66.33 STS-135 Esi-12.880999 12.880999 FindByFormula 8 Esi- 382.2437 85218 (381.2365, 16526.85)(382.2382, 4079.74) 76.26 STS-135 17.807156 FindByFormula 26 Esi- 382.2339 85218 (381.2349, 49455.0)(382.236, 14419.53)(383.2334, 3043.52)(384.2462, 436.03) 86.36 STS-135 Esi-12.87541 12.87541 FindByFormula 29 Esi- 382.2446 85218 (381.2359, 25636.51)(382.2383, 6347.79)(383.2376, 1632.33) 90.76 Succimer 4.809 FindByFormula 8 Esi- C07598 241.9908 66695 (240.9854, 32010.87)(241.9886, 3478.38) 61.76 Succinylsulfathiazole 3.2690003 FindByFormula 6 Esi- C11745 802.0794 44631 (400.0302, 11280.46)(401.0264, 9043.5)(402.0307, 6601.4) 57.83 Sudan III 16.963827 FindByFormula 36 Esi- C19527 352.1341 73206 (351.1269, 33692.29)(352.1296, 10661.05)(353.1321, 2845.88) 83.5 Sulfadiazine 3.766001 FindByFormula 16 Esi- C07658 250.0475 2434 (249.0436, 30761.3)(250.0469, 3831.75)(251.048, 1234.12) 87.64 Sulfamethoxazole Esi-5.9703155 5.9703155 FindByFormula 19 Esi- C07315 299.0567 2546 (298.0524, 16746.48)(299.0511, 2378.49)(300.0493, 5585.33) 54.6 Sulfamethoxazole 6.470555 FindByFormula 36 Esi- C07315 299.0576 2546 (298.0502, 12410.12)(299.052, 1861.94)(300.0487, 4947.61)(301.0471, 972.93) 69.81 Sulfamethoxazole N4-hydroxylamine 1.4880834 FindByFormula 24 HMDB13852 Esi- 315.0533 85285 (314.047, 15714.27)(315.0472, 2598.65)(316.0509, 1015.94) 77.53 Sulfanilamide 1.530667 FindByFormula 36 Esi- C07458 172.0364 3308 (343.05, 6583.98)(344.057, 1956.23)(171.0258, 500960.34)(172.0313, 18450.93)(173.0284, 4370.55) 61 Sulfaphenazole 9.087002 FindByFormula 20 Esi- D01954 628.1625 4101 (313.0747, 9578.54)(314.0763, 1929.27) 63.02 Sulfaphenazole Esi-9.083626 9.083626 FindByFormula 16 Esi- D01954 314.081 4101 (313.0743, 10328.16)(314.0751, 2114.47)(315.0895, 1012.09) 78.35 Sulindac glucuronide 20.494728 FindByFormula 11 Esi- 578.1262 2608 (577.1178, 10467.76)(578.1189, 4821.95)(579.1225, 2101.43) 73.53 Suprofen Methyl Ester 0.953 FindByFormula 7 Esi- 668.1701 44277 (333.0795, 85546.38)(334.0803, 14798.08) 65.74 Suprofen Methyl Ester Esi-0.952 0.952 FindByFormula 5 Esi- 334.0865 44277 (333.0818, 5363.41)(334.0864, 1337.32)(335.0793, 382.38) 80.21 Syringolin A 12.606 FindByFormula 6 Esi- C15701 493.2904 71033 (492.2846, 5089.21)(493.2914, 1502.51) 60.36 T2 Triol 20.353752 FindByFormula 16 HMDB35396 Esi- 382.2012 90690 (381.1941, 43399.65)(382.1956, 11751.82) 66.77 Taccalonolide A 16.313002 FindByFormula 10 Esi- C08635 702.2862 67087 (701.28, 5819.25)(702.2796, 1088.93)(703.2812, 1400.71) 52.28 Tafluprost ethyl amide 18.885 FindByFormula 2 Esi- 437.2384 96555 (436.2314, 12801.13)(437.2365, 4503.85) 65.91 Talampicillin 18.4 FindByFormula 9 Esi- C11751 481.1301 610 (480.1213, 3829.73)(481.1212, 1947.89)(482.1336, 1513.67) 55.7 talinolol 14.222145 FindByFormula 28 HMDB42020 Esi- 423.2725 96207 (422.2676, 4149.07)(423.2667, 1381.33)(424.2805, 1082.88) 46.84 Tartronate semialdehyde 1.2539998 FindByFormula 10 HMDB06938 Esi- C01146 104.009 58597 (207.0123, 979.92)(103.0027, 27864.2)(104.0051, 387.34) 79.31 Taurine 0.7682187 FindByFormula 32 HMDB00251 Esi- C00245 125.0111 31 (124.0055, 1129580.0)(125.0041, 16897.43)(126.0061, 30385.78)(127.0021, 3295.77) 76.75 Taurolithocholic acid 3-glucuronide 16.908663 FindByFormula 35 Esi- LMST05040009 705.3462 57995 (1410.6855, 543.36)(704.3362, 340808.3)(705.3416, 83069.91)(706.3376, 24535.12)(707.3276, 5170.26) 60.49 Taxinine M 14.3636675 FindByFormula 24 Esi- 734.2724 84989 (1467.5588, 1130.84)(1468.5308, 1081.44)(733.2669, 16909.54)(734.2718, 15877.37)(735.2736, 8380.55) 54.63 Taxinine M Esi-14.386 14.386 FindByFormula 10 Esi- 734.2866 84989 (1467.5942, 446.37)(1468.5293, 1475.24)(1469.5505, 1029.45)(733.2744, 13695.73)(734.2782, 18836.67)(735.2773, 8354.45) 60.61 Tazarotene 14.610773 FindByFormula 27 Esi- C12531 351.1259 69452 (701.2551, 2552.99)(350.1198, 5626.2)(351.1252, 1605.22)(352.1296, 159.76) 74.62 Tebuconazole Esi-15.687523 15.687523 FindByFormula 23 Esi- C18489 353.1488 72295 (352.1424, 5525.8)(353.145, 2134.64)(354.1416, 429.21) 67.25 Telaprevir 17.996 FindByFormula 6 HMDB15616 Esi- 739.4226 85554 (738.4163, 34780.89)(739.4198, 23806.92)(740.4234, 9002.27)(741.4235, 2933.93) 67.8 Telbivudine 1.8376111 FindByFormula 36 HMDB15394 Esi- 242.089 85486 (241.0835, 76875.16)(242.0852, 10685.42)(243.0848, 3235.33) 92.64 Tenitramine 0.82100004 FindByFormula 8 Esi- C17719 416.1154 71877 (207.0498, 114144.21)(207.5522, 69.09)(208.052, 12646.61)(415.1089, 3158.45) 72.35 Tephrodin 5.8776674 FindByFormula 36 Esi- LMPK12110161 496.1384 48594 (495.1314, 13471.1)(496.1342, 3938.46)(497.1312, 1749.69) 80.29 Tephrowatsin B 18.39069 FindByFormula 26 Esi- LMPK12020283 382.1781 47499 (381.1692, 296221.78)(382.1746, 36567.07)(383.1797, 5671.79) 69.85 Tephrowatsin B Esi-19.386663 19.386663 FindByFormula 12 Esi- LMPK12020283 382.179 47499 (381.1706, 891300.0)(382.1757, 188311.16)(383.178, 43015.34)(384.1775, 8976.01) 92.81 Tepraloxydim Esi-15.352 15.352 FindByFormula 10 Esi- C18540 401.1627 72346 (400.1553, 5090.75)(401.1532, 1886.6)(402.1506, 83448.37) 58.91 Tepraloxydim 19.373999 FindByFormula 20 Esi- C18540 401.1547 72346 (400.1527, 37210.35)(401.1554, 12527.33)(402.1516, 13693.69)(403.1568, 5623.07) 83.59 Teprotide 14.017 FindByFormula 10 Esi- C11712 1146.5477 69171 (1145.5823, 12348.99)(1146.5645, 4697.71)(1147.56, 5222.65) 39.5 Teprotide Esi-13.982501 13.982501 FindByFormula 16 Esi- C11712 1160.5977 69171 (1159.5905, 24131.05)(1160.5935, 16752.23)(1161.596, 7413.24)(1162.6031, 5817.94) 80.48 Terbutaline-1-sulfate 7.216 FindByFormula 4 Esi- 351.0994 2763 (350.0912, 6458.14)(351.0949, 1756.02) 62.93 Termitomycamide B Esi-17.445 17.445 FindByFormula 2 Esi- 482.3108 96488 (481.3084, 12663.89)(482.3107, 4282.22)(483.3054, 1747.05) 79.35 Testosterone glucuronide 10.545 FindByFormula 3 HMDB03193 Esi- C11134 LMST05010012 464.2405 2794 (463.2343, 6980.22)(464.2353, 2648.51)(465.2272, 933.04) 68.01 Testosterone sulfate Esi-17.807304 17.807304 FindByFormula 26 HMDB02833 Esi- C00535 LMST05020032 414.1759 3558 (413.1629, 100675.2)(414.166, 37328.77)(415.1671, 11330.64) 74.26 Testosterone sulfate Esi-18.706919 18.706919 FindByFormula 26 HMDB02833 Esi- C00535 LMST05020032 368.1647 3558 (367.1582, 62483.79)(368.1602, 19988.34)(369.1609, 5582.12) 81.37 Tetrachlorobisphenol A 0.6468236 FindByFormula 34 Esi- C14528 363.956 70129 (362.9527, 55074.95)(363.9539, 12798.61)(364.9512, 10975.57) 64.96 Tetracosanedioic acid 17.835 FindByFormula 8 Esi- LMFA01170039 398.3368 35991 (397.3344, 4745.37)(398.3371, 1732.01)(399.3405, 722.91) 72.05 Tetradecyl sulfate 23.764545 FindByFormula 36 Esi- D06882 294.1856 2469 (587.3358, 2187.95)(293.1786, 39831.21)(294.1814, 7348.54)(295.1779, 1934.62) 95.63 Tetragastrin 13.75 FindByFormula 8 HMDB05775 Esi- 1312.5356 58310 (655.2553, 21152.23)(656.2564, 11813.57)(657.2595, 4191.89)(658.2635, 10815.02) 67.92 Tetrahydrocorticosterone 19.373877 FindByFormula 16 HMDB00268 Esi- C05476 LMST02030100 350.2512 5267 (349.2381, 16879.57)(350.2414, 4176.57)(351.2504, 1423.86) 86.4 Tetrahydrocortisol 17.881542 FindByFormula 26 HMDB00949 Esi- C05472 LMST02030143 366.2409 1914 (365.2357, 20863.56)(366.2393, 4667.1)(367.2443, 2174.61) 70.28 Tetrahydrocortisol Esi-17.296581 17.296581 FindByFormula 19 HMDB00949 Esi- C05472 LMST02030143 366.2503 1914 (365.235, 47753.66)(366.2376, 11212.17)(367.2399, 2066.42) 93.08 Tetrahydrocortisol Esi-17.851997 17.851997 FindByFormula 20 HMDB00949 Esi- C05472 LMST02030143 366.2437 1914 (365.2334, 28922.97)(366.2369, 6656.98)(367.2403, 1707.73) 98.2 Tetrahydrocortisone 23.75176 FindByFormula 35 HMDB00903 Esi- 364.2272 1915 (727.4722, 510.49)(363.2203, 9558.18)(364.2201, 3886.8)(365.2183, 1788.7)(366.2162, 410.09) 57.16 Tetrahydrocortisone Esi-14.0164995 14.0164995 FindByFormula 14 HMDB00903 Esi- 364.2228 1915 (363.2143, 13101.93)(364.2183, 3783.18)(365.2248, 1178.06) 65.13 Tetranor-PGEM 0.7593334 FindByFormula 15 Esi- LMFA03010032 326.1389 3822 (325.129, 267066.84)(326.1345, 24795.11)(327.1376, 7213.15) 80.85 TG(12:0/12:0/20:1(11Z))[iso3] 18.376999 FindByFormula 26 Esi- LMGL03012646 840.6668 98505 (419.3266, 25146.21)(419.821, 650.35)(420.3294, 8340.28) 64.43 TG(12:0/14:1(9Z)/18:3(9Z,12Z,15Z))[iso6] 13.639 FindByFormula 1 Esi- LMGL03013249 834.6234 99104 (416.3034, 3144.59)(416.8191, 544.89)(417.2983, 1237.15) 48.62 TG(12:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] 19.382998 FindByFormula 9 Esi- LMGL03013585 944.728 99440 (471.3566, 21342.67)(471.876, 283.16)(472.3598, 7186.88) 55.87 TG(13:0/13:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] 18.214314 FindByFormula 19 Esi- LMGL03012720 888.6705 98579 (443.3275, 21148.46)(443.8369, 2167.11)(444.3312, 7301.64) 58.31 TG(15:0/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso6] 18.39 FindByFormula 9 Esi- LMGL03015208 866.7355 101056 (865.7324, 6574.46)(866.7335, 4372.14)(867.7321, 2870.28) 66.42 TG(15:1(9Z)/17:0/19:1(9Z))[iso6] 19.046999 FindByFormula 10 Esi- LMGL03015416 936.7623 101264 (467.3732, 17170.33)(467.8694, 253.66)(468.3766, 5402.89) 66.55 TG(16:1(9Z)/16:1(9Z)/16:1(9Z)) Esi-19.088 19.088 FindByFormula 6 Esi- LMGL03010020 892.6863 4719 (445.3439, 29802.15)(445.8479, 808.66)(446.3472, 10079.37) 66.29 TG(17:0/17:1(9Z)/19:1(9Z))[iso6] 19.372213 FindByFormula 23 Esi- LMGL03015895 872.7684 101743 (871.7721, 11378.24)(872.775, 7207.51)(873.7803, 3128.3) 78.21 TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3] 19.37467 FindByFormula 18 Esi- LMGL03010196 940.6869 4892 (469.3429, 21993.69)(469.8425, 378.32)(470.3445, 7958.36) 69.32 TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] 17.700857 FindByFormula 14 Esi- LMGL03013094 984.6864 98949 (491.3262, 16079.41)(491.843, 596.34)(492.3312, 5401.64) 61.22 TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] 15.899851 FindByFormula 26 Esi- LMGL03016645 495.344 102493 (989.6818, 13480.23)(990.6858, 8049.21)(991.6906, 3042.04)(992.701, 1326.33)(494.3379, 9612.43)(495.3398, 3660.22)(496.335, 1120.99) 75.01 TG(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] 18.643 FindByFormula 7 Esi- LMGL03013150 1110.8058 99005 (554.3963, 22208.69)(554.9003, 4299.32)(555.3968, 8196.16) 56.63 Thalicsessine Esi-15.215 15.215 FindByFormula 4 Esi- C08714 429.2185 67148 (428.2096, 39142.17)(429.2142, 12029.33)(430.2163, 2751.71) 84.46 Thalicsessine 15.214249 FindByFormula 36 Esi- C08714 429.2251 67148 (428.2062, 88999.57)(429.2102, 25050.5)(430.2099, 4754.31) 91.5 Thalidasine 14.1859455 FindByFormula 36 Esi- C09656 698.3224 67864 (697.3092, 99306.68)(698.3111, 41899.72)(699.3114, 11111.34) 71.93 Thamnosin 6.306 FindByFormula 9 HMDB30550 Esi- 576.2005 87055 (287.0925, 3853.28)(287.5827, 97.64)(288.0951, 821.56) 63.44 Theasapogenol A 14.112 FindByFormula 8 HMDB34519 Esi- 506.3605 89990 (505.3512, 7941.87)(506.3556, 3002.78)(507.3421, 1583.57) 46.85 Thenylchlor 0.84195673 FindByFormula 23 Esi- C10959 369.0801 68723 (368.0735, 24425.25)(369.0677, 7024.3)(370.0729, 3875.16)(371.1263, 1168.66) 58.58 Thermobiszeaxanthin-13-13 Esi-16.32 16.32 FindByFormula 3 Esi- C15959 1284.8981 71119 (1283.8958, 933.61)(1284.9061, 837.74)(1285.9048, 27728.06) 46.13 Thermobiszeaxanthin-13-13 13.709399 FindByFormula 5 Esi- C15959 2689.8394 71119 (1343.9132, 13802.99)(1344.9152, 11685.63)(1345.9193, 6066.93) 84.42 Thermobiszeaxanthin-13-15/ Zeaxanthin diglucoside diester 15.086 FindByFormula 2 Esi- C15963 LMPR01070111 1372.915 41368 (1371.9453, 31058.98)(1372.9482, 26093.22)(1373.9557, 19893.97)(1374.96, 10612.21) 71.68 Thermocryptoxanthin-15 12.908499 FindByFormula 20 Esi- C15955 938.701 71117 (468.3456, 6169.4)(468.8454, 1427.21)(469.3484, 2471.23) 50.54 Thevetiaflavone 0.8234286 FindByFormula 21 Esi- LMPK12110956 284.0674 49384 (283.0622, 26875.98)(284.0681, 5551.52) 70.19 Thienodolin 0.958 FindByFormula 4 Esi- C09245 592.0059 67549 (294.9976, 32575.68)(295.5078, 381.66) 21.08 Thiethylperazine 19.136003 FindByFormula 17 Esi- C07132 399.1816 43345 (398.1739, 3045.41)(399.1813, 6963.67)(400.1682, 19247.46) 55.2 Thiocysteine 5.4516106 FindByFormula 36 HMDB03585 Esi- C01962 213.0124 58162 (212.0047, 678889.6)(213.0116, 36554.4) 57.43 Thiolanilide 4.229707 FindByFormula 34 Esi- 217.0528 96349 (216.0461, 9116.9)(217.046, 721.41)(218.0439, 3414.0)(219.0431, 493.67) 36.77 Thiolanilide Esi-5.746 5.746 FindByFormula 1 Esi- 217.0582 96349 (216.0462, 635035.06)(217.0525, 22869.19)(218.0538, 5533.9) 53.63 Thioperamide 9.185 FindByFormula 7 Esi- 338.1764 45306 (337.1702, 4537.69)(338.1718, 1166.19) 68.54 Thioproperazine 15.301278 FindByFormula 36 HMDB15559 Esi- 446.1865 85535 (445.1736, 14676.26)(446.1754, 4781.69)(447.1713, 5061.97)(448.1643, 4142.89) 62.9 Thioridazine 2,5-disulfone 0.974 FindByFormula 8 Esi- 434.1352 2842 (433.1269, 3272.26)(434.1321, 683.83)(435.1213, 1728.35) 61.76 Thiotepa 0.759 FindByFormula 5 Esi- C07641 235.0544 43348 (234.0471, 23265.25)(235.0436, 5389.99) 46.45 Thio-THIP 0.793 FindByFormula 4 Esi- C13711 202.0408 69652 (201.0348, 172275.66)(202.0387, 17733.23) 69.8 Thonningianin B 0.65 FindByFormula 2 Esi- LMPK12120466 722.1383 52269 (721.1429, 4169.08)(722.1547, 1380.4) 44.62 Thr Glu Leu Esi-14.047 14.047 FindByFormula 6 Esi- 421.2075 22258 (420.1979, 5769.46)(421.1977, 1371.51) 67.55 Thr Glu Leu 14.047373 FindByFormula 35 Esi- 421.2077 22258 (420.1995, 7612.61)(421.2054, 2468.89)(422.2062, 336.94) 70.32 Thr His Ile 10.559076 FindByFormula 26 Esi- 369.203 23601 (368.1969, 16565.78)(369.1946, 3673.46)(370.1922, 1779.29) 63.8 Thr Ile Lys 18.371 FindByFormula 10 Esi- 840.5203 23357 (419.2543, 11092.91)(420.2486, 3263.61) 60.08 Thr Ile Lys Esi-9.086999 9.086999 FindByFormula 16 Esi- 360.2373 23357 (179.1116, 39331.37)(179.6138, 303.11)(180.1153, 5574.28) 68.81 Thr Ile Thr 15.53247 FindByFormula 32 Esi- 379.1977 18184 (378.19, 23315.73)(379.1925, 7607.55)(380.1845, 1222.13) 65.25 Thr Lys Arg 13.520999 FindByFormula 6 Esi- 898.5262 23508 (448.2527, 1546.42)(449.2552, 10029.24) 59.49 Thr Lys Ser 19.375498 FindByFormula 20 Esi- 380.1857 20355 (379.1819, 121993.7)(380.1847, 29263.29) 68.54 Thr Met Tyr 16.910307 FindByFormula 23 Esi- 413.1631 17759 (412.155, 5442.8)(413.1576, 1963.61)(414.153, 209.3) 76.24 Thr Thr Lys Esi-8.5778 8.5778 FindByFormula 15 Esi- 348.2019 23026 (347.1948, 4109.61)(348.1885, 538.83)(349.2062, 542.07) 57.32 Thr Thr Lys 13.409337 FindByFormula 36 Esi- 348.1998 23026 (347.1919, 39709.09)(348.1953, 9135.11)(349.2043, 1017.8) 84.54 Threoninyl-Aspartate 0.8400322 FindByFormula 31 HMDB29057 Esi- 234.0831 85950 (467.1525, 577.86)(468.1717, 72.34)(116.0342, 104160.38)(116.532, 201.2)(117.0347, 6072.44)(233.0728, 399.04)(235.0644, 610.43) 55.91 Thr-Phe4Cl-OH 10.021056 FindByFormula 36 Esi- 482.1104 64978 (481.1019, 11689.93)(482.1036, 3402.32)(483.1013, 4966.61)(484.0985, 1821.66)(485.1062, 369.04) 91.14 Tiamulin Esi-14.037498 14.037498 FindByFormula 20 Esi- C12065 539.3244 43351 (538.3251, 1469322.5)(539.3275, 455214.94) 43.68 Tiamulin 14.5043 FindByFormula 33 Esi- C12065 553.3443 43351 (1105.666, 39210.3)(552.3352, 252504.5)(553.3403, 59932.92) 62.89 Tiamulin Esi-13.737598 13.737598 FindByFormula 25 Esi- C12065 539.3338 43351 (538.3193, 2289441.0)(539.3219, 746230.4)(540.3293, 113938.73)(541.334, 16597.36)(542.3464, 9828.31) 84.77 Tiaprost 14.851002 FindByFormula 18 Esi- 398.1758 96518 (397.1688, 23485.79)(398.1711, 7931.85)(399.1713, 3104.5) 81.98 Tifluadom Esi-15.295278 15.295278 FindByFormula 36 Esi- C11797 439.1376 69227 (438.1322, 10960.07)(439.1391, 3560.17)(440.1294, 4539.36)(441.1455, 1995.58)(442.1331, 634.76) 33.3 Tifluadom 17.956251 FindByFormula 16 Esi- C11797 439.1397 69227 (438.1317, 12223.58)(439.1349, 4760.52)(440.1352, 34.22) 62.01 Tigecycline Esi-13.508001 13.508001 FindByFormula 7 Esi- C12012 645.3013 69251 (644.2929, 6852.7)(645.2925, 2424.29) 64.53 Tigecycline Esi-11.782 11.782 FindByFormula 2 Esi- C12012 1170.5648 69251 (584.2751, 7357.59)(585.277, 2706.21) 66.13 Tigecycline 11.777233 FindByFormula 26 Esi- C12012 585.284 69251 (584.275, 14084.96)(585.2773, 5438.0)(586.2762, 2152.81) 79.38 tiracizine 9.956 FindByFormula 6 HMDB42041 Esi- 734.3762 96216 (366.1814, 6680.27)(367.1903, 2141.81) 64.5 Tirandamycin Esi-0.97316676 0.97316676 FindByFormula 24 Esi- 417.1886 85096 (416.1743, 9516.53)(417.1745, 3270.19)(418.1769, 839.33) 70.04 Tirandamycin 0.92199993 FindByFormula 15 Esi- 417.1816 85096 (416.1709, 8415.19)(417.1745, 3117.81)(418.1806, 729.09) 79.46 Tirofiban 20.781002 FindByFormula 10 Esi- C07965 500.2547 66774 (499.2477, 5124.57)(500.249, 1939.57) 58.48 tiropramide 13.15784 FindByFormula 36 HMDB42042 Esi- 513.3175 96217 (512.309, 952913.6)(513.3153, 180330.03)(514.3181, 36593.19)(515.318, 7099.41) 53.62 tiropramide Esi-12.845888 12.845888 FindByFormula 36 HMDB42042 Esi- 513.3194 96217 (512.3125, 71757.27)(513.3154, 21109.15)(514.3029, 11960.94) 60.93 TOFA 19.118002 FindByFormula 20 Esi- 324.2284 34518 (323.2232, 12839.81)(324.2252, 2876.72)(325.229, 479.1) 97.03 Tofisopam 23.753454 FindByFormula 36 HMDB15699 Esi- 382.1858 85594 (763.3516, 557.23)(765.3559, 652.07)(766.3659, 466.44)(381.1788, 26071.22)(382.1797, 8326.41)(383.1898, 124550.88)(384.1916, 41499.02)(385.1925, 11612.74) 58.67 Tofisopam Esi-13.701998 13.701998 FindByFormula 10 HMDB15699 Esi- 382.188 85594 (381.182, 31599.78)(382.1847, 7437.05)(383.1828, 3599.05) 78.92 Tolnaftate 15.483587 FindByFormula 34 Esi- 353.1052 43356 (352.1026, 9296.04)(353.1053, 3275.57)(354.1007, 873.03) 77.72 Tomentolide A 17.864 FindByFormula 10 Esi- LMPK12100026 402.1531 48387 (401.1413, 15318.62)(402.1439, 5625.6)(403.1466, 2661.75) 72.55 Torososide B 3.2784007 FindByFormula 15 HMDB34855 Esi- 932.2755 90247 (465.1305, 10367.53)(465.6277, 107.26)(466.1324, 2655.34)(931.2539, 1226.44) 54.22 Tos-Ph-CH2Cl 1.1457057 FindByFormula 34 Esi- C01964 280.0355 65688 (139.0157, 7996.92)(279.0259, 141877.45)(280.0292, 15620.16)(281.0226, 53663.09)(282.0229, 6785.41)(283.025, 2923.17) 94.44 Trabectedin 14.179951 FindByFormula 36 Esi- C16875 807.2777 71400 (806.2613, 12655.3)(807.2551, 6212.31)(808.2609, 9118.36)(809.275, 7648.98)(810.2742, 14505.22)(811.2781, 7116.18)(812.2609, 3463.75)(813.2834, 1502.07)(814.2872, 680.95) 48.2 Tragopogonsaponin J 14.024 FindByFormula 5 HMDB37924 Esi- 1120.5465 92723 (1119.533, 10709.43)(1120.5398, 8243.83)(1121.5251, 1948.99) 52.24 Tragopogonsaponin K 15.31075 FindByFormula 12 HMDB37925 Esi- 958.5096 92724 (957.4901, 6990.34)(958.4942, 4794.61)(959.4926, 3112.75) 58.88 Tragopogonsaponin R 14.333002 FindByFormula 10 HMDB37940 Esi- 1328.6034 92735 (1327.5977, 4243.13)(1328.613, 6510.79)(1329.6125, 5147.75)(1330.6097, 3006.65)(1331.6185, 1240.31) 31.36 Trandolapril lactam (RU 46178) 15.723667 FindByFormula 15 Esi- 458.2498 2889 (457.2353, 16167.55)(458.2386, 4533.81)(459.2388, 1809.56) 88.32 trans-2-Enoyl-OPC8-CoA 17.029 FindByFormula 7 HMDB11122 Esi- C16328 1133.3164 61988 (565.6537, 10161.96)(566.1489, 5488.25)(566.6419, 3265.11) 45.23 trans-Resveratrol 4'-sulfate 15.303458 FindByFormula 26 HMDB41784 Esi- 308.0357 96136 (307.0291, 6169.25)(308.0295, 1534.38)(309.0291, 384.67) 79.26 trans-Resveratrol-d4 0.82308 FindByFormula 25 Esi- 232.1024 96744 (231.0972, 16685.05)(232.0974, 2980.66)(233.1005, 301.4) 89.86 Treosulfan 1.524 FindByFormula 15 Esi- C19557 370.0233 589 (184.0054, 42181.04)(184.5025, 99.78)(185.0072, 4000.13) 62.92 Triacontanedioic acid 22.01075 FindByFormula 4 Esi- LMFA01170042 482.4327 35993 (481.4228, 4354.04)(482.4257, 2174.03) 42.02 Tributyltin oxide 14.0529995 FindByFormula 10 Esi- C18149 1256.4666 72066 (627.2274, 8480.2)(628.2261, 12697.77) 51.18 Trichlormethine 1.196 FindByFormula 5 Esi- 406.0092 44062 (201.9984, 12780.74)(202.5096, 83.28) 42.65 Tricin 7-glucuronoside 20.36215 FindByFormula 26 HMDB33894 Esi- 552.1114 89600 (551.1028, 60188.61)(552.1044, 28358.44)(553.1063, 10656.75) 63.1 Trifluoperazine 18.395504 FindByFormula 20 Esi- C07168 467.1795 2929 (933.3722, 1483.21)(934.3822, 809.57)(935.3782, 978.02)(466.1782, 11983.89)(467.1798, 4715.01)(468.1743, 2131.96) 73.23 trifluoroacetic acid Esi-23.755394 23.755394 FindByFormula 33 HMDB14118 Esi- 113.9929 85337 (226.9716, 205.9)(112.9856, 76623.98)(113.9844, 2848.88)(114.9968, 829.16) 92.7 trifluoroacetic acid 0.7107224 FindByFormula 36 HMDB14118 Esi- 113.9929 85337 (112.9856, 1569224.8)(113.9914, 20649.74)(114.9927, 9153.46) 99.25 trifluoroacetic acid Esi-19.114279 19.114279 FindByFormula 25 HMDB14118 Esi- 113.9929 85337 (112.9856, 1064005.4)(113.9912, 12989.22)(114.9911, 7283.29) 99.25 trifluoroacetic acid Esi-18.394539 18.394539 FindByFormula 26 HMDB14118 Esi- 113.9929 85337 (112.9856, 1148385.5)(113.9911, 13983.39)(114.9916, 8233.41) 99.25 trifluoroacetic acid Esi-19.372849 19.372849 FindByFormula 34 HMDB14118 Esi- 113.9919 85337 (112.9856, 934772.44)(113.991, 11759.41)(114.9904, 6757.17) 99.31 Trigoneoside XIIIa 14.319 FindByFormula 9 HMDB38313 Esi- 1226.6019 93037 (1225.5887, 4536.69)(1226.6014, 9847.0)(1227.5923, 9140.81) 46.21 Trihomomethionine 6.7332225 FindByFormula 36 Esi- C17221 237.1056 64500 (236.0982, 17632.47)(237.0994, 2908.99)(238.107, 470.46) 64.09 Trilauroyl-glycerol 23.756788 FindByFormula 36 Esi- LMGL03012618 638.5483 75582 (637.5414, 13687.77)(638.5461, 6651.84)(639.5395, 2257.12) 83.76 TRIM 3.26977 FindByFormula 26 Esi- 272.0778 64871 (544.1647, 478.52)(545.143, 3611.56)(271.0707, 122701.47)(272.0733, 19759.09)(273.0746, 8305.95)(274.0803, 1102.29)(275.0814, 453.91) 88.8 Trimethadione 1.917111 FindByFormula 36 HMDB14491 Esi- 143.0575 85367 (142.0506, 39568.67)(143.0522, 3263.35) 82.77 Trimethobenzamide 19.239 FindByFormula 5 Esi- C07178 434.198 43363 (433.1985, 22741.07)(434.2052, 4289.59) 68.66 Tris(2-methyl-1-aziridinyl)phosphine oxide Esi-6.0872593 6.0872593 FindByFormula 27 Esi- C19556 215.1193 73227 (214.1127, 7958.91)(215.1151, 1233.58) 75.96 Tris(2-methyl-1-aziridinyl)phosphine oxide 4.906499 FindByFormula 20 Esi- C19556 215.118 73227 (214.1106, 10237.35)(215.1127, 1724.42)(216.1161, 379.24) 85.69 Tris(butoxyethyl)phosphate Esi-18.691 18.691 FindByFormula 6 Esi- C14446 888.4957 70068 (443.2414, 38540.01)(444.2446, 10847.44) 74.57 Tris(butoxyethyl)phosphate 12.691005 FindByFormula 30 Esi- C14446 398.2387 70068 (397.2334, 65848.48)(398.2365, 17013.78)(399.2386, 3404.64) 77.31 Tris(butoxyethyl)phosphate Esi-18.802755 18.802755 FindByFormula 24 Esi- C14446 398.2425 70068 (397.2358, 29511.86)(398.2386, 8574.27)(399.2386, 1682.25) 85.65 Troglitazone quinone 19.321999 FindByFormula 4 Esi- 517.1815 2974 (516.1706, 10761.09)(517.1686, 4694.97) 51.85 Troxilin B3 9.6105 FindByFormula 18 Esi- C14811 LMFA03090004 446.2514 36371 (222.1184, 5279.21)(222.6105, 87.32)(223.1225, 1047.49) 66.63 Trp Gln Ile 11.895667 FindByFormula 30 Esi- 445.231 16605 (444.2247, 12217.41)(445.2288, 4249.32)(446.2284, 1211.63) 85.53 Trp Ile Lys 12.119727 FindByFormula 11 Esi- 491.277 16425 (490.2693, 8775.32)(491.2719, 3292.14)(492.2721, 865.27) 78.68 Trp Phe Val 14.597335 FindByFormula 15 Esi- 450.2289 17265 (449.2205, 9520.53)(450.2234, 3181.26)(451.2259, 1547.63) 80.21 Trp Pro Asp 18.710333 FindByFormula 15 Esi- 416.1718 22519 (415.1651, 3377.62)(416.164, 857.92)(417.1654, 2616.7)(418.1791, 580.99) 54.15 Trp Pro Thr 16.406853 FindByFormula 35 Esi- 448.2019 21753 (447.1918, 17566.85)(448.1952, 7030.6)(449.1847, 3530.49)(450.1791, 441.33) 59.98 Trp Trp Lys 24.238 FindByFormula 2 Esi- 578.2853 18683 (577.2781, 2026.16)(578.2815, 771.27) 74.55 Trp Val Trp 13.979722 FindByFormula 36 Esi- 535.2463 19046 (534.2366, 28946.73)(535.2402, 8342.99)(536.2346, 11404.32)(537.2386, 3548.96) 59.67 Trp-Met-OH 19.122768 FindByFormula 13 Esi- 457.1289 65192 (456.121, 9362.47)(457.1236, 3448.21)(458.1283, 1835.49) 66.98 Trp-Met-OH Esi-6.704 6.704 FindByFormula 3 Esi- 457.1284 65192 (456.1219, 4740.08)(457.1255, 1326.52)(458.118, 689.7) 79.35 Trypanothione 13.94839 FindByFormula 36 Esi- C02090 769.3015 63640 (768.3014, 33236.53)(769.3019, 12836.5)(770.2952, 4509.91)(771.3005, 1243.79) 80.04 Trypanothione Esi-14.371003 14.371003 FindByFormula 23 Esi- C02090 769.3069 63640 (768.3029, 39805.66)(769.3037, 15187.17)(770.302, 6105.61)(771.2825, 786.34) 90.44 Tryptophyl-Alanine 5.1877055 FindByFormula 34 HMDB29076 Esi- 275.1257 85969 (274.1187, 7761.34)(275.1197, 1522.3)(276.1047, 908.22) 43.48 Tryptophyl-Histidine 19.136997 FindByFormula 10 HMDB29085 Esi- 401.1638 85978 (400.1644, 9086.92)(401.1652, 3553.51)(402.1638, 1975.25) 61 Tryptophyl-Threonine 5.7707644 FindByFormula 34 HMDB29093 Esi- 305.1377 85986 (304.1299, 6156.7)(305.1281, 1775.77)(306.1334, 511.42) 63.94 Tsangane L 3-glucoside 16.272001 FindByFormula 7 HMDB40824 Esi- 434.254 95286 (433.2468, 20029.16)(434.2494, 6170.76) 59.9 tuberculosinyl diphosphate 17.998537 FindByFormula 26 Esi- C19836 LMPR0104030006 510.2172 53591 (1019.424, 1281.08)(1020.4297, 1070.9)(509.2078, 3123.43)(510.209, 1711.77)(511.2135, 1530.18)(512.2079, 430.26) 66.65 Tubulosine Esi-11.133 11.133 FindByFormula 4 Esi- C09248 521.2889 64422 (520.2818, 6410.47)(521.2815, 1332.16) 61.11 Tubulosine Esi-11.408 11.408 FindByFormula 8 Esi- C09248 521.289 64422 (520.2814, 7318.32)(521.2827, 3049.45)(522.289, 1398.32) 78.02 Tubulosine Esi-13.165218 13.165218 FindByFormula 36 Esi- C09248 475.2817 64422 (474.2749, 39788.06)(475.2788, 11978.94)(476.2866, 4723.8) 81.89 Tubulosine Esi-13.154001 13.154001 FindByFormula 5 Esi- C09248 475.2837 64422 (474.2746, 24673.68)(475.2778, 6998.37)(476.2843, 2711.92) 82.29 Tubulosine 13.302553 FindByFormula 36 Esi- C09248 475.2823 64422 (474.2737, 146941.6)(475.2765, 43598.1)(476.2815, 11423.19) 84.18 Tumonoic Acid I Esi-14.567999 14.567999 FindByFormula 10 Esi- 543.3427 65437 (1087.6812, 8409.09)(1088.6869, 1938.76)(542.3322, 1015741.1)(543.3387, 87938.59)(544.333, 14162.88) 65.08 Tumonoic Acid I 14.906499 FindByFormula 20 Esi- 543.3346 65437 (1085.6804, 98473.14)(1088.6958, 37700.93)(542.3331, 1356504.0)(543.3396, 114689.07)(544.3414, 17088.39) 67.66 Typhasterol 19.72768 FindByFormula 25 Esi- C15793 448.3549 64145 (447.3465, 28558.18)(448.3495, 9256.47) 73.97 Tyr Gln Tyr 17.999565 FindByFormula 36 Esi- 532.2161 20403 (531.2097, 35632.88)(532.2125, 11519.43)(533.2121, 3026.17) 94.97 Tyr Leu Tyr 6.2070003 FindByFormula 6 Esi- 914.4371 16353 (456.2115, 5834.77)(457.2161, 1585.82) 70.05 Tyr Val Ile 13.228998 FindByFormula 20 Esi- 439.2325 15790 (438.2261, 5659.96)(439.229, 1707.4)(440.2235, 2065.58)(441.2254, 531.96) 61.17 TyrMe-Asp-OH 10.0205555 FindByFormula 36 Esi- 492.1388 65060 (491.132, 47900.51)(492.1349, 13228.35)(493.1394, 3861.51) 92.41 TyrMe-Ile-OH Esi-15.085 15.085 FindByFormula 9 Esi- 476.1664 65260 (475.1726, 7067.39)(476.164, 4111.74)(477.1767, 1180.41) 37.7 TyrMe-Ile-OH 1.2915001 FindByFormula 6 Esi- 430.1664 65260 (214.079, 50852.6)(214.572, 140.1) 54.28 TyrMe-Lys-OH 12.860392 FindByFormula 36 Esi- 505.2065 65280 (504.1998, 9237.15)(505.2028, 2577.62)(506.1964, 4031.07)(507.1932, 1429.69)(508.2112, 4946.91)(509.2195, 2040.04)(510.2101, 781.81) 61.05 Tyrosyl-Cysteine 0.804 FindByFormula 2 HMDB29102 Esi- 568.1572 85994 (283.0753, 20371.79)(284.0669, 355.71) 55.94 Tyrosyl-Cysteine Esi-1.2598001 1.2598001 FindByFormula 5 HMDB29102 Esi- 376.096 85994 (187.04, 12482.64)(187.5313, 111.93) 58.35 Tyrosyl-Tyrosine 3.2799993 FindByFormula 36 HMDB29117 Esi- 344.1372 86009 (688.2513, 199.39)(689.2484, 347.65)(171.0654, 394.58)(343.1277, 51488.99)(344.1302, 10704.84)(345.1251, 2047.84) 77.58 Tyr-Trp-OH 18.22746 FindByFormula 26 Esi- 489.1555 65024 (488.1487, 21945.84)(489.1506, 9377.67) 56.89 Tyr-Tyr-OH 3.2827778 FindByFormula 18 Esi- 466.1408 65164 (931.2588, 542.66)(932.3186, 183.08)(465.1292, 3701.2)(466.1346, 995.67)(467.1348, 328.48) 91.75 U50488 14.113789 FindByFormula 33 Esi- C11796 368.1434 69226 (735.2759, 3765.88)(737.2771, 1990.96)(183.0661, 864.85)(367.1367, 6839.41)(368.1385, 2205.96)(369.1351, 3296.52)(370.1354, 908.53) 65.61 U-51605 11.166999 FindByFormula 20 Esi- 378.2495 45682 (377.2424, 8787.77)(378.2446, 2771.12)(379.2536, 842.56) 68.53 UDP-N-acetyl-D-galactosaminuronic acid 22.353876 FindByFormula 16 Esi- C13952 667.0683 63229 (666.0602, 45833.07)(667.063, 23209.22)(668.064, 7603.85) 70.3 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-?-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D- alanine 13.974 FindByFormula 3 Esi- C17549 2109.1567 63679 (1053.5693, 14996.06)(1054.1086, 564.84) 26.73 Uniconazole P 8.835466 FindByFormula 15 Esi- C18494 337.1198 72300 (336.1124, 5049.38)(337.116, 854.86)(338.1179, 652.46) 58.69 Uracil 5-carboxylate 1.0482308 FindByFormula 13 Esi- C03030 216.0412 65886 (215.0322, 254124.1)(216.0373, 19047.91)(217.0305, 81602.6)(218.0298, 9942.27) 57.63 Uric acid 0.8229656 FindByFormula 29 HMDB00289 Esi- C00366 168.022 88 (335.0483, 13797.2)(336.0458, 3927.71)(337.1488, 314.14)(167.0188, 3130107.8)(168.0234, 132835.23)(169.0244, 22190.96) 75.05 Uroporphyrinogen I 18.394249 FindByFormula 8 HMDB02211 Esi- C05766 928.2805 6550 (463.1331, 18448.45)(463.6198, 291.89) 29.78 Ustilagic acid 6.7259994 FindByFormula 36 Esi- LMFA13010033 844.4295 46607 (843.4221, 41411.22)(844.424, 18729.77)(845.4277, 5773.04)(846.432, 1328.93) 95.86 Ustiloxin B 14.056118 FindByFormula 36 HMDB41373 Esi- 705.2546 95777 (1409.5055, 1088.43)(1410.5408, 1035.59)(1412.4735, 1204.05)(704.2452, 31822.17)(705.2516, 19650.19)(706.252, 13983.3)(707.2527, 14356.05) 56.13 Ustiloxin B Esi-14.060002 14.060002 FindByFormula 13 HMDB41373 Esi- 705.256 95777 (704.242, 50957.83)(705.2489, 24839.42)(706.2483, 15085.28) 63.86 Uzarigenin 3-[xylosyl-(1-2)-rhamnoside] 15.481001 FindByFormula 9 HMDB36296 Esi- 652.3385 91441 (651.3344, 84366.02)(652.3367, 32725.61)(653.339, 9151.07) 74.26 Vaccinoside 0.86811996 FindByFormula 25 HMDB34733 Esi- 536.1571 90167 (267.0682, 368300.5)(267.5745, 131.62)(268.0725, 34087.0)(535.1515, 1762.49) 64.54 Val His Ser 9.287001 FindByFormula 10 Esi- 341.1714 22324 (340.1651, 4431.96)(341.1607, 1514.04)(342.1576, 605.71) 55.06 Val Leu His 17.994558 FindByFormula 36 Esi- 413.2269 23065 (412.2202, 34780.63)(413.2218, 10065.56)(414.2299, 2118.79) 87.14 Val Lys Ser Esi-10.02 10.02 FindByFormula 9 Esi- 332.2068 23453 (331.199, 7653.87)(332.2016, 2269.93)(333.1933, 166.06) 77.18 Val Lys Ser 10.021456 FindByFormula 33 Esi- 332.2053 23453 (331.1991, 8395.34)(332.2015, 2366.82)(333.2062, 553.31) 80.91 Val Phe Phe 13.252001 FindByFormula 10 Esi- 411.2178 22659 (410.2112, 8600.58)(411.2134, 3319.9)(412.2099, 1348.67) 62.74 Val Phe Phe Esi-13.027 13.027 FindByFormula 8 Esi- 411.2197 22659 (410.2111, 9583.51)(411.2132, 2952.47)(412.2162, 956.57) 78.98 Val Phe Val Esi-8.57 8.57 FindByFormula 8 Esi- 409.2205 20337 (408.212, 7005.42)(409.2244, 3359.85)(410.2184, 778.8) 61.26 Val Phe Val 9.894077 FindByFormula 26 Esi- 409.2205 20337 (408.2125, 27123.5)(409.2167, 7170.32)(410.2202, 1705.49) 91.18 Valdiate 23.75655 FindByFormula 36 HMDB40980 Esi- 310.18 95421 (619.3608, 722.78)(620.3574, 736.9)(621.3708, 2026.49)(622.2638, 6651.69)(623.2689, 1971.9)(309.174, 29218.54)(310.1764, 5370.83)(311.1697, 8029.2)(312.171, 1863.13)(313.1715, 1082.88) 59.79 Valeracetate 14.364656 FindByFormula 32 HMDB41388 Esi- 280.2041 95790 (279.1998, 9809.14)(280.2008, 3194.44)(281.2083, 296.32) 52.35 Val-Nap-OH 17.975002 FindByFormula 10 Esi- 422.1485 65322 (421.1415, 19732.59)(422.1439, 6998.8)(423.1465, 2233.48) 83.97 Val-Nap-OH Esi-17.973 17.973 FindByFormula 6 Esi- 420.3333 65322 (421.1411, 27101.43)(422.1436, 8717.99)(423.1463, 2906.37) 89.1 Valnemulin Esi-23.809002 23.809002 FindByFormula 9 Esi- C12066 564.3503 69285 (563.3555, 1674.9)(564.3485, 1353.14)(565.3548, 2030.65)(566.3694, 1195.6) 52.78 Valnemulin 15.939242 FindByFormula 25 Esi- C12066 610.3719 69285 (609.3621, 38517.11)(610.3676, 12895.13)(611.3646, 3806.69) 66.89 Valyl-Arginine 9.234125 FindByFormula 16 HMDB29121 Esi- 273.1808 86013 (272.1749, 5278.75)(273.1769, 1306.01)(274.1685, 535.76) 64.02 Valyl-Methionine 7.1460547 FindByFormula 35 HMDB29133 Esi- 248.1217 86025 (247.1147, 7067.59)(248.1168, 1466.58) 48.68 Vanillin 3-(L-menthoxy)propane-1,2-diol acetal 18.002235 FindByFormula 26 HMDB32553 Esi- 364.2264 88525 (181.101, 242.44)(363.2189, 25825.9)(364.2213, 6888.12)(365.2242, 10375.35)(366.2255, 3104.98)(367.2164, 1923.45) 69.88 Velcorin 0.834 FindByFormula 5 HMDB32872 Esi- 134.02 88788 (133.0125, 235452.1)(134.0178, 8269.65) 71.19 Vemurafenib 12.493671 FindByFormula 36 Esi- 489.0728 85198 (488.0645, 5873.42)(489.0669, 1839.11)(490.0626, 4201.82)(491.0642, 983.37)(492.0567, 1087.26)(493.0671, 627.74)(494.0655, 231.18) 74.27 Verbascose 13.669837 FindByFormula 36 Esi- C08252 828.2818 66867 (827.2717, 22849.09)(828.2677, 8968.0)(829.2504, 3291.81) 52.63 Verteporfin Esi-13.946576 13.946576 FindByFormula 35 Esi- 718.2994 43369 (358.1396, 588.66)(717.2967, 31019.67)(718.292, 17362.75)(719.2931, 6150.12)(720.2912, 2341.69) 73.26 Verteporfin 14.3740015 FindByFormula 14 Esi- 718.3099 43369 (1438.6235, 2228.79)(1441.6235, 5961.49)(717.2933, 64146.21)(718.2925, 34089.45)(719.2934, 12287.58) 77.43 Vibriobactin 14.359999 FindByFormula 10 Esi- C06769 705.2678 66532 (1409.5455, 1971.12)(1410.5673, 1720.81)(704.2585, 34366.39)(705.2631, 27377.7)(706.2627, 20209.49) 67.58 Vinaginsenoside R4 11.779 FindByFormula 5 HMDB40843 Esi- 1082.589 95301 (540.2881, 88550.48)(540.7796, 244.89) 50.34 Vomicine 18.394163 FindByFormula 12 Esi- C09255 380.1718 67556 (189.0783, 220.23)(379.1644, 1103477.9)(380.1693, 254008.86)(381.1731, 59990.91)(382.1769, 10717.32) 88.39 Vomifoliol 9-[glucosyl-(1-4)-xylosyl-(1-6)-glucoside] 16.535997 FindByFormula 6 HMDB38449 Esi- 726.2799 93140 (725.2855, 12936.48)(726.2829, 8302.23)(727.2868, 6416.43) 36.61 W123 15.90428 FindByFormula 36 Esi- 306.1918 64710 (305.1841, 190171.58)(306.1862, 42055.38)(307.1895, 5790.57) 72.41 Wanepimedoside A 13.9584465 FindByFormula 36 Esi- LMPK12112030 678.2525 50446 (677.2451, 64255.2)(678.2475, 25688.91)(679.248, 8547.15) 92.94 WIN I(S) 9.086844 FindByFormula 26 Esi- C06497 448.2203 66419 (223.1027, 28885.77)(223.6038, 150.02)(224.106, 3927.43) 68.92 Withaperuvin E 6.0508 FindByFormula 10 HMDB30127 Esi- 500.2387 86740 (499.2327, 10517.37)(500.2352, 3476.21)(501.2432, 990.85) 90.21 Wortmannin-Rapamycin Conjugate 14.856167 FindByFormula 36 Esi- 1657.951 45587 (1656.939, 12705.68)(1657.9438, 11473.36)(1658.9424, 10011.31)(1659.9421, 5570.96) 61.9 Xamoterol 19.419 FindByFormula 4 Esi- C11775 385.1885 69212 (384.1788, 22593.76)(385.1825, 3549.53)(386.1796, 514.5) 90.71 XDP 1.1596667 FindByFormula 15 Esi- C01337 564.0548 65583 (281.0199, 15185.77)(281.52, 219.44)(282.0148, 3683.06) 60.4 XE991 13.105997 FindByFormula 16 Esi- C13779 376.1565 69700 (375.1501, 18177.84)(376.1534, 4561.33)(377.1537, 539.11) 96.84 xi-3-Hydroxy-2-oxobutanoic acid Esi-22.020666 22.020666 FindByFormula 9 HMDB39324 Esi- 118.0254 93907 (117.0184, 24727.39)(118.022, 1531.7) 81.15 xi-3-Hydroxy-2-oxobutanoic acid 1.1900768 FindByFormula 26 HMDB39324 Esi- 118.0267 93907 (117.0193, 154320.25)(118.0237, 8283.08)(119.0342, 7468.44) 82.8 xi-3-Hydroxy-2-oxobutanoic acid Esi-1.0062224 1.0062224 FindByFormula 36 HMDB39324 Esi- 118.0265 93907 (117.0193, 135505.94)(118.0238, 7435.61) 86.4 Ximelagatran 13.414907 FindByFormula 22 HMDB15603 Esi- 519.2703 85547 (518.2634, 13074.52)(519.2654, 4086.25)(520.267, 1748.66) 85.18 Ximenoylacetone 21.278 FindByFormula 10 HMDB35952 Esi- 480.4164 91138 (479.4089, 17263.92)(480.4127, 6097.69)(481.409, 1530.84) 82.24 Yellow AB 4.184164 FindByFormula 36 Esi- C19552 247.1121 73225 (246.1051, 7936.55)(247.1072, 1299.81)(248.0949, 228.74) 85.57 Zapotidine 2.157 FindByFormula 26 HMDB30383 Esi- 213.0598 86934 (212.0527, 12030.01)(213.0503, 879.68) 44.46 Zaprinast 6.307177 FindByFormula 28 Esi- 271.109 44292 (270.1017, 6449.19)(271.1156, 616.36)(272.1161, 178.95) 48.4 Z-Arg-Arg-NHMec Esi-14.280999 14.280999 FindByFormula 9 Esi- C02334 681.33 65750 (1361.6879, 161.22)(1362.685, 172.37)(680.319, 888707.0)(681.3232, 292007.2)(682.3267, 56513.26) 80.55 Z-Arg-Arg-NHMec 14.189388 FindByFormula 36 Esi- C02334 681.3279 65750 (680.3125, 962468.8)(681.316, 338955.25)(682.32, 60339.56)(683.32, 12401.76) 81.85 Z-Arg-Arg-NHMec Esi-13.979152 13.979152 FindByFormula 26 Esi- C02334 681.3269 65750 (680.3194, 85633.33)(681.3178, 35053.37)(682.3187, 9709.4)(683.32, 2269.55) 82.72 Zierin 0.98599994 FindByFormula 10 Esi- C08345 311.1036 66923 (310.0939, 6963.89)(311.0973, 2383.75)(312.0881, 1652.41) 59.32 Zierin Esi-5.62 5.62 FindByFormula 2 Esi- C08345 371.1198 66923 (370.1151, 5660.28)(371.1172, 1428.43)(372.1151, 749.01) 72.89 Zinc protoporphyrin-9 23.635792 FindByFormula 34 Esi- C03184 670.1773 65926 (669.1697, 10118.44)(670.1741, 5760.44)(671.1804, 2936.51) 53.27 ZM 447439 14.055217 FindByFormula 23 Esi- 559.2504 45566 (558.236, 71015.23)(559.2386, 21201.63)(560.2366, 34045.86) 62.32 ZM 447439 Esi-14.045169 14.045169 FindByFormula 36 Esi- 559.2473 45566 (558.236, 71015.23)(559.2386, 21201.63)(560.2366, 34045.86) 62.32 Zomepirac 0.8600001 FindByFormula 6 Esi- 291.065 44152 (290.0583, 22718.1)(291.0518, 5477.15)(292.0611, 10277.17) 63.93 Zuclopenthixol 4.9829483 FindByFormula 19 Esi- 400.1404 3109 (199.063, 9133.94)(199.567, 89.11)(200.0653, 938.39) 40.24 Zuclopenthixol glucuronide 0.95149994 FindByFormula 22 Esi- 668.1704 3113 (333.0834, 83289.43)(333.5921, 326.16)(334.085, 14482.82) 65.2 Zygadenine 14.192 FindByFormula 18 Esi- C10831 553.3302 68614 (1105.6375, 8630.74)(1106.6401, 5501.72)(552.3198, 69353.31)(553.3203, 24017.47) 68 Zymonic acid 1.5265265 FindByFormula 19 HMDB31210 Esi- 158.0186 87497 (157.0123, 33089.97)(158.0142, 2113.53) 66.8 METABOLITES_END #END