#METABOLOMICS WORKBENCH nishastephan_20161114_000119 DATATRACK_ID:776 STUDY_ID:ST000508 ANALYSIS_ID:AN000778 PROJECT_ID:PR000381 VERSION 1 CREATED_ON December 2, 2016, 11:11 am #PROJECT PR:PROJECT_TITLE Metabolic Profiling of Date Palm Fruits PR:PROJECT_SUMMARY The goal of this study was to investigate metabotypes of date palm fruits PR:PROJECT_SUMMARY through global, non-targeted metabolomics of assorted date fruits varieties from PR:PROJECT_SUMMARY different countries of origin. PR:INSTITUTE Weill Cornell Medicine Qatar PR:DEPARTMENT Bioinformatics Core PR:LABORATORY Suhre Lab PR:LAST_NAME Suhre PR:FIRST_NAME Karsten PR:ADDRESS Luqta Street, Education City, Doha, Qatar, 24144, Qatar PR:EMAIL nishastephan@gmail.com PR:PHONE +97444928281 PR:FUNDING_SOURCE Funding for this research was provided by Qatar National Research Fund, a member PR:FUNDING_SOURCE of Qatar Foundation under the National Priorities Research Program – PR:FUNDING_SOURCE Exceptional Award (NPRP-EP) NPRPX-014-4-001. #STUDY ST:STUDY_TITLE Metabolic Profiling of Date Palm Fruits ST:STUDY_SUMMARY In this study, two independent large cohorts of mature dates exhibiting ST:STUDY_SUMMARY substantial diversity in origin, varieties and fruit processing conditions were ST:STUDY_SUMMARY measured by metabolomics techniques in order to identify major determinants of ST:STUDY_SUMMARY the fruit metabotype. Additional samples reflecting different stages of date ST:STUDY_SUMMARY fruit ripening process has been included for 10 different fruit varieties. ST:INSTITUTE Weill Cornell Medicine in Qatar ST:DEPARTMENT Bioinformatics Core ST:LABORATORY Suhre Lab ST:LAST_NAME Suhre ST:FIRST_NAME Karsten ST:ADDRESS Education City ST:EMAIL nis2034@qatar-med.cornell.edu ST:PHONE +97433888408 #SUBJECT SU:SUBJECT_TYPE Date palm fruit SU:SUBJECT_SPECIES Phoenix dactylifera SU:TAXONOMY_ID 42345 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS 1 1.2 date_variety:Aseela country_of_origin=Dubai, UAE; brand_name=Dr Ahmad Saif Al-Fasi farm; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 1 1.3 date_variety:Aseela country_of_origin=Dubai, UAE; brand_name=Dr Ahmad Saif Al-Fasi farm; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 2 2.2 date_variety:Piarom, Grade 1 country_of_origin=Iran; brand_name=Zargarzadeh.com; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 4 4.1 date_variety:Rabee country_of_origin=Iran; brand_name=Zargarzadeh.com; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 4 4.2 date_variety:Rabee country_of_origin=Iran; brand_name=Zargarzadeh.com; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 5 5.2 date_variety:Khasoy country_of_origin=Iran; brand_name=Zargarzadeh.com; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 5 5.3 date_variety:Khasoy country_of_origin=Iran; brand_name=Zargarzadeh.com; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 6 6.2 date_variety:Ayash country_of_origin=UAE; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 7 7.2 date_variety:Mumtaza country_of_origin=UAE; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 7 7.3 date_variety:Mumtaza country_of_origin=UAE; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 8 8.1 date_variety:Nawader country_of_origin=UAE; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 8 8.3 date_variety:Nawader country_of_origin=UAE; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 9 9.1 date_variety:Zamlee country_of_origin=KSA; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 9 9.3 date_variety:Zamlee country_of_origin=KSA; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 10 10.2 date_variety:Sheshe country_of_origin=UAE; brand_name=Azaad Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 10 10 date_variety:Sheshe country_of_origin=UAE; brand_name=Azaad Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 11 11.1 date_variety:Menefi country_of_origin=UAE; brand_name=Azaad Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 11 11.3 date_variety:Menefi country_of_origin=UAE; brand_name=Azaad Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 11 11 date_variety:Menefi country_of_origin=UAE; brand_name=Azaad Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 12 12.1 date_variety:Berni country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 12 12.3 date_variety:Berni country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 13 13.2 date_variety:Ambara country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 14 14.1 date_variety:Sultana country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 14 14.2 date_variety:Sultana country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 15 15.3 date_variety:Jabri country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 16 16.1 date_variety:BuMaan country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 16 16.2 date_variety:BuMaan country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 17 17.3 date_variety:Safawin country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 18 18.2 date_variety:Saeedi country_of_origin=Egypt; brand_name=Orient; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 18 18.3 date_variety:Saeedi country_of_origin=Egypt; brand_name=Orient; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 19 19.3 date_variety:Gagee country_of_origin=Egypt; brand_name=Orient; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 20 20.2 date_variety:Ghazelee country_of_origin=Egypt; brand_name=Orient; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 20 20.3 date_variety:Ghazelee country_of_origin=Egypt; brand_name=Orient; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 21 21.3 date_variety:Malakabi country_of_origin=Egypt; brand_name=Orient; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 22 22.2 date_variety:Ibrahim ( Iraqi Ajwa) country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 22 22 date_variety:Ibrahim ( Iraqi Ajwa) country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 23 23.1 date_variety:Um Alamod country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 23 23.3 date_variety:Um Alamod country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 24 24.2 date_variety:Khiyara country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 24 24.3 date_variety:Khiyara country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 24 24 date_variety:Khiyara country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 25 25.2 date_variety:Barani country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 26 26.1 date_variety:Sangol country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 26 26.2 date_variety:Sangol country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 27 27.2 date_variety:Aseel country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 27 27.3 date_variety:Aseel country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 27 27 date_variety:Aseel country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 28 28.3 date_variety:Gorakh country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 29 29.1 date_variety:Zayaki country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 29 29.3 date_variety:Zayaki country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 30 30.3 date_variety:Burmeel country_of_origin=Libya; brand_name=Al-Nakhlatain; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 30 30 date_variety:Burmeel country_of_origin=Libya; brand_name=Al-Nakhlatain; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 31 31.2 date_variety:Berni country_of_origin=Libya; brand_name=Al-Nakhlatain; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 31 31.3 date_variety:Berni country_of_origin=Libya; brand_name=Al-Nakhlatain; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 32 32.1 date_variety:Abel country_of_origin=Libya; brand_name=Al-Nakhlatain; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 34 34.1 date_variety:Sagai dry country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 34 34.3 date_variety:Sagai dry country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 35 35.2 date_variety:Khudry country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 36 36.3 date_variety:Ajwa medina country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 37 37.2 date_variety:Safawi - medina country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 37 37.3 date_variety:Safawi - medina country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 38 38.1 date_variety:Sagai - Rotab country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 38 38.3 date_variety:Sagai - Rotab country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 39 39.1 date_variety:Rushydia country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 40 40.1 date_variety:Naboot Sultan country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 40 40.3 date_variety:Naboot Sultan country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 41 41.1 date_variety:Sufri country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 41 41.3 date_variety:Sufri country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 42 42.1 date_variety:Shieshi Rotab country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 42 42.3 date_variety:Shieshi Rotab country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 43 43.3 date_variety:khlas country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 44 44.1 date_variety:Mabroom country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 44 44.2 date_variety:Mabroom country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 44 44 date_variety:Mabroom country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 45 45.1 date_variety:Medjoul country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 46 46.1 date_variety:Naboot Ali country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 46 46.2 date_variety:Naboot Ali country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 47 47.1 date_variety:Amber - medina country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 47 47.2 date_variety:Amber - medina country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 48 48.1 date_variety:Mabroom country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 49 49.2 date_variety:Sukary country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 49 49.3 date_variety:Sukary country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 50 50.1 date_variety:Khudry country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 50 50 date_variety:Khudry country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 51 51.2 date_variety:Dried dates country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 51 51.3 date_variety:Dried dates country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 52 52.1 date_variety:Sufri country_of_origin=Qatar; brand_name=National Food Company; collection_info=Carrefour SUBJECT_SAMPLE_FACTORS 52 52.3 date_variety:Sufri country_of_origin=Qatar; brand_name=National Food Company; collection_info=Carrefour SUBJECT_SAMPLE_FACTORS 53 53.2 date_variety:Safawi country_of_origin=KSA; brand_name=Carrefour; collection_info=Carrefour SUBJECT_SAMPLE_FACTORS 54 54.1 date_variety:Mabroom country_of_origin=KSA; brand_name=Carrefour; collection_info=Carrefour SUBJECT_SAMPLE_FACTORS 54 54.2 date_variety:Mabroom country_of_origin=KSA; brand_name=Carrefour; collection_info=Carrefour SUBJECT_SAMPLE_FACTORS 55 55.3 date_variety:Kheneizi country_of_origin=KSA; brand_name=Date Crown; collection_info=Carrefour SUBJECT_SAMPLE_FACTORS 56 56.1 date_variety:Suqai country_of_origin=Qatar; brand_name=National Food Company; collection_info=Lulu SUBJECT_SAMPLE_FACTORS 57 57.2 date_variety:Safawi country_of_origin=KSA; brand_name=Al Alwani Dates; collection_info=Lulu SUBJECT_SAMPLE_FACTORS 57 57.3 date_variety:Safawi country_of_origin=KSA; brand_name=Al Alwani Dates; collection_info=Lulu SUBJECT_SAMPLE_FACTORS 58 58.3 date_variety:Sagai country_of_origin=UAE; brand_name=Liwa Dates; collection_info=Lulu SUBJECT_SAMPLE_FACTORS 60 60.2 date_variety:Allig country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 60 60 date_variety:Allig country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 61 61.1 date_variety:Hamrata country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 61 61.3 date_variety:Hamrata country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 61 61 date_variety:Hamrata country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 62 62.2 date_variety:Grenja country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 64 64.2 date_variety:Deglet Nour country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 64 64.3 date_variety:Deglet Nour country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 69 69.3 date_variety:Medjoul country_of_origin=California, USA; brand_name=Spinneys; collection_info=Spinneys SUBJECT_SAMPLE_FACTORS 70 70.2 date_variety:Sukkary country_of_origin=KSA; brand_name=Personal collection; collection_info=Personal collection -Mashael Al Shafai SUBJECT_SAMPLE_FACTORS 71 71 date_variety:Fegous-ghlid country_of_origin=Morocco; brand_name=Marrakech Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 72 72 date_variety:Majhool AA country_of_origin=Morocco; brand_name=Marrakech Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 73 73 date_variety:Jihl country_of_origin=Morocco; brand_name=Marrakech Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 74 74 date_variety:Tadment country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 75 75 date_variety:Sayer country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 77 77 date_variety:Hafs country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 78 78 date_variety:Bouzagza country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 79 79 date_variety:Boukhanda country_of_origin=Morocco; brand_name=Fess Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 80 80 date_variety:Agalid country_of_origin=Morocco; brand_name=Fess Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 81 81 date_variety:Lakhal country_of_origin=Morocco; brand_name=Fess Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 82 82 date_variety:Najda country_of_origin=Morocco; brand_name=Fess Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 83 83 date_variety:Wahardan country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 84 84 date_variety:Bid-djaj country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 85 85 date_variety:Azaghzaw country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 85 85A date_variety:Azaghzaw country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 85 85C date_variety:Azaghzaw country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 86 86 date_variety:Bouslikh country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 87 87 date_variety:Tazgaghzt country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 87 87B date_variety:Tazgaghzt country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 87 87C date_variety:Tazgaghzt country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 88 88 date_variety:Tamaright 2 country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 89 89E date_variety:khalt-lhammar country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 89 89 date_variety:khalt-lhammar country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 89 89C date_variety:khalt-lhammar country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 89 89D date_variety:khalt-lhammar country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 89 89A date_variety:khalt-lhammar country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 89 89B date_variety:khalt-lhammar country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 90 90 date_variety:Mejhool country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 90 90A date_variety:Mejhool country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 90 90B date_variety:Mejhool country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 90 90C date_variety:Mejhool country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 91 91F date_variety:Belahzit country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 91 91 date_variety:Belahzit country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 91 91A date_variety:Belahzit country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 91 91H date_variety:Belahzit country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 92 92E date_variety:Shetwia country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 92 92 date_variety:Shetwia country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 92 92A date_variety:Shetwia country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 92 92B1 date_variety:Shetwia country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 92 92C date_variety:Shetwia country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 92 92D date_variety:Shetwia country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 93 93C date_variety:Booserdoon country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 93 93 date_variety:Booserdoon country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 93 93D date_variety:Booserdoon country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 96 96 date_variety:Bekri-khder country_of_origin=Morocco; brand_name=Ourzazet souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 97 97A date_variety:Tahmoot 2 country_of_origin=Morocco; brand_name=Arfoud souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 97 97B date_variety:Tahmoot 2 country_of_origin=Morocco; brand_name=Arfoud souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 97 97C date_variety:Tahmoot 2 country_of_origin=Morocco; brand_name=Arfoud souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 98 98 date_variety:Boufegous rqiq country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 99 99D date_variety:Maajoun country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 99 99B date_variety:Maajoun country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 99 99C date_variety:Maajoun country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 99 99A date_variety:Maajoun country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 100 100 date_variety:Boussakri country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 101 101 date_variety:Admoo country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 103 103B date_variety:Tarzawa country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 103 103C date_variety:Tarzawa country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 103 103A date_variety:Tarzawa country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 104 104 date_variety:Boozekri country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 105 105 date_variety:Zaghlool country_of_origin=Egypt; brand_name=Hyat Plaza mall, Doha; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 108 108 date_variety:Deglet Bayda country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 109 109 date_variety:Deglet Nour Hourra country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 112 112 date_variety:Adam adaalee country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 113 113 date_variety:Tantebouchte country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 114 114 date_variety:Fegous country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 117 117 date_variety:Deglet Nour country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 119 119 date_variety:Telemsoua country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 120 120 date_variety:Adam bujamaa country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 122 122 date_variety:Tamjhourt country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 124 124 date_variety:Gharss country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 125 125 date_variety:Ddagla country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 126 126 date_variety:Tagarbushet country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 128 128 date_variety:Deglet country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 129 129 date_variety:Adam admaan country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 131 131 date_variety:Hameera country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 133 133 date_variety:Hamray country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 136 136 date_variety:Zehdi country_of_origin=Jordan; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 137 137 date_variety:Lulu country_of_origin=Jordan; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 139 139 date_variety:Siwa country_of_origin=Egypt; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 141 141 date_variety:Saeedi country_of_origin=Libya; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 142 142 date_variety:Kulma soda country_of_origin=Sudan; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 143 143 date_variety:Grundeela/Qundeil country_of_origin=Sudan; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 144 144 date_variety:Barakawi country_of_origin=Sudan; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 145 145 date_variety:Sultana Bedeen country_of_origin=Sudan; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 146 146 date_variety:Aydea Al Qaseem country_of_origin=KSA; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 147 147 date_variety:Qatarah/Kattara country_of_origin=UAE; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 148 148 date_variety:Msalla country_of_origin=UAE; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 149 149 date_variety:Dabbas country_of_origin=UAE; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 150 150 date_variety:Sillege country_of_origin=UAE; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 151 151 date_variety:Harmayi Sadrati country_of_origin=Iran; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 #COLLECTION CO:COLLECTION_SUMMARY In the present study, 123 unique date varieties (Phoenix dactylifera) from 14 CO:COLLECTION_SUMMARY countries were collected in two separate occasions: A first collection took part CO:COLLECTION_SUMMARY in 2012 (DS1) and the second one in 2013 (DS2). The term variety is used here to CO:COLLECTION_SUMMARY describe a distinct phenotypic class of dates and if the same variety was CO:COLLECTION_SUMMARY collected from different countries, a different sample ID was assigned to each CO:COLLECTION_SUMMARY collected sample per country. Overall, dates from the first sample collection CO:COLLECTION_SUMMARY were mostly from the Gulf region obtained in a fairly dried condition from shops CO:COLLECTION_SUMMARY and festivals whilst the second sample collection was dominated by North African CO:COLLECTION_SUMMARY dates obtained mostly fresh from the palm trees. For the second collection of CO:COLLECTION_SUMMARY dates, field work permissions were obtained verbally from owners of visited CO:COLLECTION_SUMMARY oases. The marketed versus fresh nature of dates between the two sample CO:COLLECTION_SUMMARY collections implies varying post-harvest conditions. All collected dates with CO:COLLECTION_SUMMARY homogenous brown color were further dried by exposing them to open air for two CO:COLLECTION_SUMMARY weeks before further processing. With the second sample collection, while CO:COLLECTION_SUMMARY harvesting ripened fruits from the palm trees, immature fruits still undergoing CO:COLLECTION_SUMMARY ripening activity and occasionally late green Kimri fruits from the pre-ripening CO:COLLECTION_SUMMARY stage were collected when available. In total, 37 immature date fruits, CO:COLLECTION_SUMMARY corresponding to 10 date samples, were collected. With each of the 10 samples, CO:COLLECTION_SUMMARY the immature fruits were ranked by their extent of ripening based on visual CO:COLLECTION_SUMMARY assessment of color change and skin wrinkling. Each fruit was given an ID based CO:COLLECTION_SUMMARY on a combination of the sample number and a letter reflecting the fruit rank CO:COLLECTION_SUMMARY within the sample. In general, dates were considered mature if the low moisture CO:COLLECTION_SUMMARY prevented any further change in their appearance. Notably, maturity is attained CO:COLLECTION_SUMMARY naturally with the dry class of dates but often artificially with the soft class CO:COLLECTION_SUMMARY of dates owing to intrinsically higher moisture levels. CO:SAMPLE_TYPE Date palm fruit CO:COLLECTION_LOCATION Differnt locations specified in the CO:COLLECTION_DURATION 2012 - 2013 CO:STORAGE_CONDITIONS -80C #TREATMENT TR:TREATMENT_SUMMARY The aim of this study was to determine metabolic phenotype of the date palm TR:TREATMENT_SUMMARY fruits without any treatment at the baseline. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Sample pre-processing for DS1: 50 mg of the peel and flesh of the date fruits SP:SAMPLEPREP_SUMMARY were flash frozen in liquid nitrogen and extracted as previously described SP:SAMPLEPREP_SUMMARY (PMID:21699588). Sample pre-processing for DS2 The beads were added to the SP:SAMPLEPREP_SUMMARY pre-weighed frozen samples together with water (8 µL of per mg of sample) for SP:SAMPLEPREP_SUMMARY homogenisation. The samples were continuously stirred on the GenoGrinder (Glen SP:SAMPLEPREP_SUMMARY Mills GenoGrinder 2000, Germany) at 1000 strokes per minute for five minutes, to SP:SAMPLEPREP_SUMMARY ensure complete homogenization. 100 µL of aliquot from each sample was SP:SAMPLEPREP_SUMMARY transferred to the plates. The samples were loaded on three plates. To each SP:SAMPLEPREP_SUMMARY sample, 450 µL of extraction solvent (MeOH with 10 µL /ml chlorophenylalanine, SP:SAMPLEPREP_SUMMARY 2.5 µL /ml 2-fluorophenylglycine, 25 µg/ml d-6 cholestrol and 25 µL /ml SP:SAMPLEPREP_SUMMARY tridecanoic acid) was added. The samples were then shaken on the GenoGrinder SP:SAMPLEPREP_SUMMARY (GenoGrinder, Spex, USA) at 675 strokes per min for two minutes and centrifuged SP:SAMPLEPREP_SUMMARY at 2000 rpm for 5 minutes on a Beckman centrifuge (Beckman GS-6R Centrifuge, SP:SAMPLEPREP_SUMMARY USA) at 40C. The extracted samples were divided into equal parts for SP:SAMPLEPREP_SUMMARY metabolomics analysis on the Gas Chromatography Mass Spectrometry (GC/MS) and SP:SAMPLEPREP_SUMMARY the Orbitrap Elite accurate Liquid Chromatography Mass Spectrometry2 (LC-MS-MS) SP:SAMPLEPREP_SUMMARY platforms. Four sets of samples were prepared by the Hamilton robot (Hamilton SP:SAMPLEPREP_SUMMARY Star, Germany) by transferring 110 µL aliquots from each well to three PCR SP:SAMPLEPREP_SUMMARY plates, each for LC positive, LC negative, replicate set and one to 250 µL auto SP:SAMPLEPREP_SUMMARY sampler vial inserts for GC. All samples were dried for 120 minutes by using a SP:SAMPLEPREP_SUMMARY Zymark Turbovap 96 (Zymark Turbovap, USA) followed by overnight incubation in a SP:SAMPLEPREP_SUMMARY drybox to ensure optimal dryness of the sample. Sample processing DS1 and DS2 SP:SAMPLEPREP_SUMMARY Metabolite measurements with Ultrahigh Performance Liquid Chromatography/Mass SP:SAMPLEPREP_SUMMARY Spectroscopy (UPLC/MS/MS): The UPLC/MS/MS analysis was based on the Waters SP:SAMPLEPREP_SUMMARY ACUITY ultra performance liquid chromatography (Waters Corporation, USA) and the SP:SAMPLEPREP_SUMMARY ThermoFischer Scientific Orbitrap Elite high-resolution accurate mass SP:SAMPLEPREP_SUMMARY spectrometer (Thermo Fischer Scientific Inc., USA) equipped with a heated SP:SAMPLEPREP_SUMMARY electrospray ionization (HESI) source and an Orbitrap mass analyzer. The dried SP:SAMPLEPREP_SUMMARY sample extracts for the LC positive and LC negative mode were reconstituted in SP:SAMPLEPREP_SUMMARY acidic and basic LC- compatible solvents. Two independent injections were SP:SAMPLEPREP_SUMMARY performed on each sample using separate dedicated columns for optimized acidic SP:SAMPLEPREP_SUMMARY positive ions and the other for optimized basic negative ions. The acidic SP:SAMPLEPREP_SUMMARY samples were reconstituted by gradient elution of water and methanol containing SP:SAMPLEPREP_SUMMARY 0.1 % formic acid whereas; the basic samples were reconstituted by gradient SP:SAMPLEPREP_SUMMARY elution of water and methanol containing 6.5mM ammonium bicarbonate (PMID: SP:SAMPLEPREP_SUMMARY 19624122). The mass spectra analysis alternated between MS and data dependent SP:SAMPLEPREP_SUMMARY MS2 scans using dynamic exclusion. Metabolite measurements with GC/MS: The SP:SAMPLEPREP_SUMMARY samples assigned for the GC/MS analysis were further dried under vacuum SP:SAMPLEPREP_SUMMARY desiccation for an entire day and derivatized under dried nitrogen using SP:SAMPLEPREP_SUMMARY bistrimethyl-silyl-trifluoroacetamide (BSTFA). The GS/MS analysis was based on a SP:SAMPLEPREP_SUMMARY Thermo FinniganTM TRACETM DSQTM (ThermoFinnigan, USA) fast-scanning single SP:SAMPLEPREP_SUMMARY –quadrupole mass spectrophotometer using electron impact ionization source. SP:SAMPLEPREP_SUMMARY The GC column was 5% phenyl and the temperature ramp range was from 40 to 3000 C SP:SAMPLEPREP_SUMMARY in a time span of 16 minutes. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The LC/MS portion of the platform was based on a Waters ACQUITY CH:CHROMATOGRAPHY_SUMMARY ultra-performance liquid chromatography (UPLC) and a ThermoFisher Scientific CH:CHROMATOGRAPHY_SUMMARY Orbitrap Elite high resolution/accurate mass spectrometer, which consisted of a CH:CHROMATOGRAPHY_SUMMARY heated electrospray ionization (HESI) source and orbitrap mass analyzer operated CH:CHROMATOGRAPHY_SUMMARY at 30,000 mass resolution. The MS analysis alternated between MS and CH:CHROMATOGRAPHY_SUMMARY data-dependent MS2 scans using dynamic exclusion. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:INSTRUMENT_NAME Scientific Orbitrap Elite high resolution/accurate mass spectrometer CH:COLUMN_NAME C18 reversed phase column #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Metabolon, Inc. #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Orbitrap Elite Hybrid Ion Trap-Orbitrap MS:INSTRUMENT_NAME Scientific Orbitrap Elite high resolution/accurate mass spectrometer MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Counts per second (cps) MS_METABOLITE_DATA_START Samples 1.2 1.3 2.2 4.1 4.2 5.2 5.3 6.2 7.2 7.3 8.1 8.3 9.1 9.3 10.2 11.1 11.3 12.1 12.3 13.2 14.1 14.2 15.3 16.1 16.2 17.3 18.2 18.3 19.3 20.2 20.3 21.3 22.2 23.1 23.3 24.2 24.3 25.2 26.1 26.2 27.2 27.3 28.3 29.1 29.3 30.3 31.2 31.3 32.1 34.1 34.3 35.2 36.3 37.2 37.3 38.1 38.3 39.1 40.1 40.3 41.1 41.3 42.1 42.3 43.3 44.1 44.2 45.1 46.1 46.2 47.1 47.2 48.1 49.2 49.3 50.1 51.2 51.3 52.1 52.3 53.2 54.1 54.2 55.3 56.1 57.2 57.3 58.3 60.2 61.1 61.3 62.2 64.2 64.3 69.3 70.2 83 75 103B 73 113 85 93C 85A 122 78 97A 90 103C 142 87 86 89E 80 109 89 74 148 44 139 89C 147 60 77 82 146 27 91F 136 101 89D 117 10 99D 91 125 149 84 96 11 108 61 87B 99B 145 99C 128 100 71 150 92E 144 88 85C 87C 137 143 119 90A 92 99A 50 103A 114 124 131 133 126 89A 89B 97B 97C 93 30 141 91A 105 151 22 24 81 92A 92B1 92C 92D 112 129 120 90B 90C 93D 72 104 98 79 91H Factors date_variety:Aseela date_variety:Aseela date_variety:Piarom, Grade 1 date_variety:Rabee date_variety:Rabee date_variety:Khasoy date_variety:Khasoy date_variety:Ayash date_variety:Mumtaza date_variety:Mumtaza date_variety:Nawader date_variety:Nawader date_variety:Zamlee date_variety:Zamlee date_variety:Sheshe date_variety:Menefi date_variety:Menefi date_variety:Berni date_variety:Berni date_variety:Ambara date_variety:Sultana date_variety:Sultana date_variety:Jabri date_variety:BuMaan date_variety:BuMaan date_variety:Safawin date_variety:Saeedi date_variety:Saeedi date_variety:Gagee date_variety:Ghazelee date_variety:Ghazelee date_variety:Malakabi date_variety:Ibrahim ( Iraqi Ajwa) date_variety:Um Alamod date_variety:Um Alamod date_variety:Khiyara date_variety:Khiyara date_variety:Barani date_variety:Sangol date_variety:Sangol date_variety:Aseel date_variety:Aseel date_variety:Gorakh date_variety:Zayaki date_variety:Zayaki date_variety:Burmeel date_variety:Berni date_variety:Berni date_variety:Abel date_variety:Sagai dry date_variety:Sagai dry date_variety:Khudry date_variety:Ajwa medina date_variety:Safawi - medina date_variety:Safawi - medina date_variety:Sagai - Rotab date_variety:Sagai - Rotab date_variety:Rushydia date_variety:Naboot Sultan date_variety:Naboot Sultan date_variety:Sufri date_variety:Sufri date_variety:Shieshi Rotab date_variety:Shieshi Rotab date_variety:khlas date_variety:Mabroom date_variety:Mabroom date_variety:Medjoul date_variety:Naboot Ali date_variety:Naboot Ali date_variety:Amber - medina date_variety:Amber - medina date_variety:Mabroom date_variety:Sukary date_variety:Sukary date_variety:Khudry date_variety:Dried dates date_variety:Dried dates date_variety:Sufri date_variety:Sufri date_variety:Safawi date_variety:Mabroom date_variety:Mabroom date_variety:Kheneizi date_variety:Suqai date_variety:Safawi date_variety:Safawi date_variety:Sagai date_variety:Allig date_variety:Hamrata date_variety:Hamrata date_variety:Grenja date_variety:Deglet Nour date_variety:Deglet Nour date_variety:Medjoul date_variety:Sukkary date_variety:Wahardan date_variety:Sayer date_variety:Tarzawa date_variety:Jihl date_variety:Tantebouchte date_variety:Azaghzaw date_variety:Booserdoon date_variety:Azaghzaw date_variety:Tamjhourt date_variety:Bouzagza date_variety:Tahmoot 2 date_variety:Mejhool date_variety:Tarzawa date_variety:Kulma soda date_variety:Tazgaghzt date_variety:Bouslikh date_variety:khalt-lhammar date_variety:Agalid date_variety:Deglet Nour Hourra date_variety:khalt-lhammar date_variety:Tadment date_variety:Msalla date_variety:Mabroom date_variety:Siwa date_variety:khalt-lhammar date_variety:Qatarah/Kattara date_variety:Allig date_variety:Hafs date_variety:Najda date_variety:Aydea Al Qaseem date_variety:Aseel date_variety:Belahzit date_variety:Zehdi date_variety:Admoo date_variety:khalt-lhammar date_variety:Deglet Nour date_variety:Sheshe date_variety:Maajoun date_variety:Belahzit date_variety:Ddagla date_variety:Dabbas date_variety:Bid-djaj date_variety:Bekri-khder date_variety:Menefi date_variety:Deglet Bayda date_variety:Hamrata date_variety:Tazgaghzt date_variety:Maajoun date_variety:Sultana Bedeen date_variety:Maajoun date_variety:Deglet date_variety:Boussakri date_variety:Fegous-ghlid date_variety:Sillege date_variety:Shetwia date_variety:Barakawi date_variety:Tamaright 2 date_variety:Azaghzaw date_variety:Tazgaghzt date_variety:Lulu date_variety:Grundeela/Qundeil date_variety:Telemsoua date_variety:Mejhool date_variety:Shetwia date_variety:Maajoun date_variety:Khudry date_variety:Tarzawa date_variety:Fegous date_variety:Gharss date_variety:Hameera date_variety:Hamray date_variety:Tagarbushet date_variety:khalt-lhammar date_variety:khalt-lhammar date_variety:Tahmoot 2 date_variety:Tahmoot 2 date_variety:Booserdoon date_variety:Burmeel date_variety:Saeedi date_variety:Belahzit date_variety:Zaghlool date_variety:Harmayi Sadrati date_variety:Ibrahim ( Iraqi Ajwa) date_variety:Khiyara date_variety:Lakhal date_variety:Shetwia date_variety:Shetwia date_variety:Shetwia date_variety:Shetwia date_variety:Adam adaalee date_variety:Adam admaan date_variety:Adam bujamaa date_variety:Mejhool date_variety:Mejhool date_variety:Booserdoon date_variety:Majhool AA date_variety:Boozekri date_variety:Boufegous rqiq date_variety:Boukhanda date_variety:Belahzit 1-amino-1-cyclopentanecarboxylic acid 56446.8555 40968.5156 203853.25 57349.9297 43369.7773 121272.2188 81861.1406 91357.3828 132292.0938 99301.3984 104215.3438 162091.8125 55996.5273 109864.9609 85250.5859 88402.1641 104138.3359 58381.9102 49371.7383 85292.6563 103379.8906 115714.4609 105776.1406 104020.8047 88914.0703 87986.6641 92669.5234 61918.3789 98596.1797 212840.75 265897.2188 122319.9766 152613.9844 106347.1641 57527.6445 45195.8711 91392.9688 141519.875 83509.2031 87428.4609 83433.9063 19655.7793 45375.8828 126189.3359 226550.5781 35965.1953 39643.5977 92669.5234 107957.0078 85332.8984 67033.3594 76425.0078 206156.3438 100671.8906 122572.9453 0 49109.6563 154597.125 217525.6719 87787.9453 82055.2031 61768.168 85578.8672 68527.3828 142647.875 109778.8906 130006.6563 157655.0469 54699.2852 72886.0781 63947.832 113050.3594 67456.2344 30349.2461 59300.2344 110694.7031 92669.5234 142467.8594 105928.7109 59996.7539 130659.8359 82627.9844 111184.9375 117914.5781 96639.5625 13816.0322 122342.7109 108063.7266 100329.5859 197993.125 140201.0156 165540.0313 54801.8164 142575.7656 49281.3203 39443.9883 26754 34779 0 23726 469996 51799 19197 31090 42265 36749 18635 12972 27301 230752 4368 9472 26539 27326 22215 24357 72294 120753 93595 51520 0 96553 72307 50192 30992 34779 22249 24649 57902 69152 17524 24665 105893 15143 15314 32873 69521 12605 62962 76269 147527 415159 10340 31884 230859 20639 165501 65392 60328 107964 45843 88697 22000 11844 158842 103831 197827 81122 18938 18029 14137 143124 37912 31645 71965 52720 19836 59853 21214 14521 4208 8866 8282 30031 45437 52666 182548 142960 50485 61361 15380 5287 11152 0 7467 73179 36205 88697 0 15758 28054 17700 68351 40228 25805 8376 1-linolenoylglycerophosphocholine (18:3n3)* NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 14832 0 44910 0 0 0 75034 41464 0 0 15107 23134 0 19012 0 41201 388225 0 17444 25326 0 0 0 0 392172 0 0 32931 8336 0 5129 52804 14466 0 189172 110512 0 0 0 22520 0 0 0 0 51560 24939 95794 0 21081 0 36377 16988 0 0 0 46208 20089 1071526 62844 0 11454 0 11134 0 187486 0 49730 5785 0 0 11058 173310 50958 70473 0 0 138795 0 0 13876 0 0 0 0 17586 106499 132917 1092436 386680 0 0 36640 29135 63276 119260 15370 0 0 0 13573 1-linoleoylglycerophosphocholine (18:2n6) 0 0 0 63230.1875 19604.8262 0 0 0 0 0 47774.9492 55156.1172 0 0 62784.9922 0 0 0 0 0 94110.0156 82629.8594 0 86969.9063 199705.0313 62014.1367 24802.1602 0 319978.5625 5088471 4293840.5 5233609.5 0 0 0 0 0 23825.1211 0 0 13337.1836 26104.4707 27181.3047 0 0 58393.1797 0 0 82629.8594 107882.8359 143230.7031 63035.0313 53183.832 32816.1484 0 0 0 791746.75 0 0 281947.75 82629.8594 0 0 0 0 0 42997.4063 99722.4375 145797.4688 88754.8125 339312.125 0 0 0 0 0 0 0 0 0 34776.4492 41501.1836 0 0 12777.3115 0 257410.8906 166417.3438 134794.8594 94534.8203 0 0 0 0 0 410911 463166 1907548 271280 258011 188496 1535339 448293 129833 109087 522161 564782 33327 379973 101620 605252 7465027 78124 321130 403456 102701 421534 44987 62491 8842355 215667 154451 1153273 139489 126024 199974 1510049 451147 304827 10890376 1224189 125008 302690 532053 781417 113158 138910 195787 32633 804770 444711 949951 45604 813519 85322 466573 797556 99269 32089 38842 1897553 283640 13526678 785671 301143 704701 28347 516994 145513 2363527 71411 2291215 522046 29027 0 847265 4777054 1344201 1772711 19479 633072 3473043 154360 83755 493160 0 24536 87787 0 410911 1532391 2588788 18663102 4332596 0 194978 1025606 1935245 2903529 1649078 298056 218112 32586 42797 590618 1-margaroylglycerophosphocholine (17:0) 69559.7969 42652.9453 19314.3984 0 0 26911.2344 38688.4766 34127.4102 0 0 31886.9707 30788.8711 18650.916 0 31560.7656 0 0 0 25467.2793 0 0 0 0 35107.4961 86033.3359 32940.2578 63405.3125 42896.2031 335001.3438 1271718.25 911695.6875 1305798.625 0 83306.4375 84006.4688 0 44659.9336 0 0 0 61244.375 94548.8672 119620.0078 0 0 91961.125 36665.2188 30919.7402 276668.8438 372587.5625 261131.2656 57367.9766 22925.125 42838.9922 12662.126 0 0 232924.125 0 19014.0586 415081.625 43497.2813 132421.6719 48958.6367 0 0 0 26950.0957 93491.5313 151952.4063 159801.1094 570954.25 35446.3359 116453.1563 97786.3828 64182.1133 91889.5391 244496.4844 62919.8164 0 0 14107.9355 28283.6445 0 68782.9922 0 17964.6992 599226.5625 776384.5625 374958.1563 346531.6875 58989.2891 118592.1484 158513.5313 0 164534.3281 210371 247782 312200 132692 320118 20655 523940 127182 86258 52847 64566 140157 0 633333 75595 287233 1354239 54294 329771 208230 82923 81395 32874 65049 800751 20328 148495 384015 21152 93766 82382 225423 671121 234785 562452 866846 40190 139712 103286 208290 44787 168833 39947 45803 298086 176673 476694 24159 368777 0 576384 295064 0 0 0 436281 225304 1886446 373803 165094 400307 0 81894 26224 188230 21975 337321 107859 8768 0 196779 377759 265644 470068 0 251277 511539 135447 143808 34880 0 0 182470 15519 159894 318555 507896 983879 409820 0 121496 552221 188230 346718 853957 110987 188230 18930 35654 304666 1-methyladenine 61722.0781 34498.3125 60673.9492 116210.5703 113151.6016 37876.6523 0 53857.1758 101379.8594 89889.2266 76630.4297 57588.9063 111990.2344 88360.2109 54203.3086 62422.1875 65869.0156 50615.2305 42949.0508 54003.0078 84847.5313 249287.5313 48075.918 0 25936.2852 39057.6602 77069.1797 41206.4492 0 71935.6484 63297.0117 45735.3164 67331.5547 43424.7773 0 38781.2422 24821.125 43491.707 26094.1074 0 28093.8711 24341.6016 35929.3008 60595.0547 55337.8359 22141.9922 78159.4688 85184.7031 36127.0703 34354.5391 0 43325.0586 27048.4219 52201.4297 149206.4375 74898.9297 56723.5508 35685.2773 111693.9453 28151.4121 35591.3633 18551.8594 49661.1289 0 36071.0273 72345.3828 64439.1953 121824.375 51699.3438 24234.3828 64397.8398 67807.6094 37253.0469 98661.8672 36946.1055 35141.3633 52522.8633 29711.125 54148.8398 56835.5781 55313.3945 33308.3438 35077.957 58137.8984 0 414301.6563 33087.9648 0 28076.7539 81338.6328 35242.25 0 59785.1328 54565.0156 56952.7578 54003.0078 57075 97284 70055 25585 51623 112979 20702 11600 66557 88162 74830 136248 82272 23713 92138 57030 32758 44432 73633 53023 44062 70180 140196 61246 52173 86649 31699 72087 235046 36818 18494 115383 63476 53090 37205 67285 74520 71917 124468 68761 36459 30018 26864 64684 61325 145461 23442 54047 16541 39860 31361 7820 168343 95409 156132 41946 15168 47132 34904 141660 25371 75574 92692 26991 44506 33069 78456 124959 64317 63476 73354 53685 31133 74298 86396 36071 9380 28489 72544 0 230021 97446 24699 97241 151824 124194 52331 84142 63476 101951 20194 23608 55183 86978 44517 114651 99809 126978 162604 45149 1-myristoylglycerophosphocholine (14:0) NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 7591 0 41623 16943 0 0 16778 0 0 0 0 23659 0 40407 0 0 46783 0 15018 0 0 14101 0 0 88904 9526 27822 37470 22086 8508 19154 7923 97491 18606 28150 19366 59169 0 0 0 0 0 0 0 27822 22645 31620 0 65404 0 47445 29261 0 0 7827 85216 0 144968 28580 19188 24495 0 15070 0 49216 0 72203 14661 0 0 26915 128492 53233 41344 0 9831 41581 0 0 0 0 0 0 0 0 26383 41331 104348 41461 0 0 44132 14961 22000 44720 0 0 0 7209 6768 1-nonadecanoylglycerophosphocholine(19:0)* NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 19345 0 29751 0 0 0 54405 0 12969 0 0 0 0 0 0 58570 169700 0 0 29025 0 0 0 0 135623 0 0 16289 0 0 0 0 28500 7701 86831 28656 0 0 0 0 0 14970 0 0 0 0 24164 0 0 0 0 0 0 0 0 0 27118 243082 12235 16510 0 0 10639 0 0 0 29507 0 0 0 0 16419 15751 13393 0 30669 54265 0 0 0 0 0 12209 0 0 18333 40836 108983 28656 0 0 0 28656 39248 57932 0 38465 0 0 0 1-oleoylglycerophosphocholine (18:1) 86626.8984 19106.7266 0 73950.0781 19928.9199 77398.6016 121106.6641 155851.9688 0 0 252041.7969 189529.1563 53476.5 0 214422.5156 68421.7109 77190.8125 59166.9727 0 75788.3984 182780.1094 200303.7656 0 263956.6563 338209.5 168707.4063 113984.8516 76441.6094 2036105.125 7582055 3710759.25 1721409.875 0 0 54643.3945 48353.957 0 41165.5 97232.9453 0 0 23644.3203 130286.4141 0 25281.957 102464.2813 125696.5469 196947.1875 526091.125 464962.3438 223638.6094 165566.25 138221.8594 117246.0391 74636.4297 44128.1133 0 1983670.75 102427.1016 82618.0859 974994.8125 173882.2188 183118.3438 89109.3203 92508.7031 17725.8965 35824.75 139955.8281 80869.6094 135039.375 1127383.875 2923316.75 93597.7422 229219.5313 139446.5156 143404.9219 173688.4531 258128.7344 118363.7969 71302.1484 74029.5859 83325.8906 91767.0625 153562.2656 0 45125.2109 116353.7266 1840655.75 409001.6563 163683.0938 160057.0313 88275.3438 88777.9375 172749.7031 0 190303.1719 645462 884219 3308810 143665 887276 99087 406355 224218 156430 53485 34258 746596 58137 1186980 346291 716918 3533900 342727 1423914 678770 240842 483821 102606 183780 4868971 207655 80658 1629372 369535 120154 80630 941748 242732 483941 4823456 2588346 311791 109970 518348 1356627 308930 503046 212533 63971 1256052 322776 696092 43736 764713 73456 1659980 965346 66914 74603 0 3182167 362103 17573814 805425 889107 737365 107173 485298 346683 141266 149318 1845831 902779 27427 30777 414220 7040593 647670 668015 0 500614 574536 27841 197753 80894 0 19313 129701 16571 361142 313413 347157 6811597 1968984 35619 916616 5747700 1331451 2703398 422085 547000 640405 68789 17728 466337 1-palmitoylglycerophosphocholine (16:0) 604043.5625 349555.6875 290232.9063 607290.8125 146417.1094 302834.2188 566038.625 371500.8125 85535.6641 136483.6094 441272.2188 633468.125 385565.75 158305.8594 787098.5 282596.4063 332409.8438 251051.0938 386113.1563 373798.125 444762.4375 518161.8438 70445.2734 906691.375 1762697.75 638397.625 820383.0625 475796.4688 9162144 21616544 17771214 16006348 90049.2734 1179447.25 1536224.25 314344.5313 868615.1875 211897.9219 452292.7813 524555.0625 684744.75 1304134.25 2194740 61313.7656 173316.8438 735216.8125 456782.625 457540.0938 4378631.5 5660689 6580889.5 916387.9375 718452.25 595463.1875 402222.4375 147534.6719 100841.2344 6713550 182118.9219 465563.5313 5227932 1039602.75 1999531.25 1157561.5 159624.2344 113121.9141 158130.75 461043.3125 1743946 5077450.5 4410649.5 6840982 466120.8438 2047808.125 2726886.25 1020261.8125 844299.25 4910924.5 888714.25 450142.1875 599753.375 303275.4063 458053.7813 551813.125 1007874.6875 0 499840.875 9325721 10247687 4761222.5 2582226 521426.875 866094 2522749.25 61125.4609 2897868 3483626 3641431 5283492 2767148 6301695 503710 8842992 1297933 1698269 1007398 1940731 1984883 78989 17593918 1766123 3632981 8761831 961805 4204017 1499193 1373984 2635663 637641 1460145 10431892 798088 4456613 8544775 586729 2864759 2173295 3858985 11599554 6333739 10274280 13744055 1500838 2767148 2420989 3989025 1248099 2669536 1080300 640207 8212857 2989675 5888203 471825 8560169 230521 8350482 10157060 90836 256690 172925 17694196 3775297 22637618 6793381 4899312 13439295 208397 1872285 501324 3116228 557707 6302229 1817006 237693 99024 3074131 11679769 3058287 3756595 161838 4232306 14200969 1162990 2332883 1124058 41785 61413 3910538 379366 1731510 5232497 8100133 21120482 11608802 214475 2188826 12549671 5098688 5890003 15758810 1589666 2293276 303877 795197 5118250 1-pentadecanoylglycerophosphocholine (15:0)* NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 158726 98581 252008 107184 134909 0 352439 145285 53089 74151 91980 62712 0 391552 44236 142666 669365 52727 154114 68389 27693 126256 17093 78391 991537 49881 120329 169081 13298 96017 130455 220676 452095 167875 619748 662071 67792 142152 82367 174211 53543 70792 36131 50845 316619 122414 340060 0 444365 0 490668 219107 0 0 0 643643 176999 2198290 454912 329189 552570 0 76850 27955 240708 33840 188963 87705 29766 0 145285 356057 412050 308845 0 145285 699872 111169 127219 66441 0 0 187722 0 144194 393281 514817 1125661 556572 0 48929 305724 187799 238317 740948 70782 49592 0 32346 359494 1-stearoylglycerophosphocholine (18:0) 494301.7813 393587.5313 151851.3281 69001.4219 51262.3984 221684.1406 275483.75 121385.6484 33658.8633 68688.3516 81834.1484 100236.5625 133148.6563 60065.3164 267288.375 44886.2969 85172.3828 60977.8477 201524.5313 108320.5313 154210.0469 93301.7891 29425.8066 261681.9063 276182.3125 257266.0313 309640.8438 262881.5313 1829171.875 2437926.75 1891881.25 3727550.5 30543.9707 688642.6875 670419.5625 53551.3945 262037.3438 187904.4375 144021.3906 183849.9688 270429.5 685414 555749 80266.1953 183984.8906 378916.1563 272534.7188 257015.3906 1691851.25 1060251.125 645959.3125 256066.4063 281439.4688 217199.6094 92664.6484 212279.9063 116895.3438 974570.25 25957.0156 109294.0078 1317212 268418.375 669807.625 261932.5156 65611.0781 0 0 438146.9063 638764.75 1380106.125 303361.6563 1005727.9375 173699.2344 824841.6875 655131.9375 332708.625 377978.9375 689825.0625 185583.4219 164370.2656 147436.6094 75884.1563 152131.8125 86830.5234 229904.75 26172.0137 142331.6563 1657808.5 4209170.5 2471096.75 2375448.75 502287.7188 635829.5625 1076522.125 77393.6641 906467 1049937 784478 1805270 593539 2764096 215763 1362592 109880 539098 225808 99528 997514 56767 671304 668022 763899 4129188 229309 1023563 694241 206587 306023 222500 202951 3224982 109747 914845 2955188 452621 502171 282976 521944 2187089 1193512 2770088 1631755 179168 330604 591179 779177 191506 642343 207547 88576 621366 454545 600436 219814 856800 178878 679664 1366813 38258 26100 123521 1339143 722435 5584772 615442 953590 1211486 28010 873303 281365 111194 119675 1862027 502348 46701 19184 1020052 2533438 283016 607939 42481 1088366 2462829 124942 255214 44901 0 19405 1022625 76639 529060 572455 1258178 5451721 2739596 59303 813490 2552807 1850872 2963854 1661827 619058 2020371 146688 194828 624699 2-aminoadipate 5486891.5 3354682.5 6723458.5 4156442.25 6553890.5 2778218.5 1788755.625 3815092 5075984 4748023 3275178.5 2437567.5 2245687.25 3337063 3285015.5 8873441 6176580 3491117.25 4047415.75 3354682.5 4056878.75 5216523 15253172 2035284.25 2605524.75 4494555 2043100.25 2939308 3259195 2422277.75 1534882.375 3960260.5 8790582 2155038 3683917.75 4308385 5329959 12976662 3905406.75 5556753 4022597.5 2424306.5 16109654 8350094.5 11571994 2858509.25 9836834 10431712 3291965 1647241.625 2194852.5 2863734.75 2904455.5 3041810 5038203 3915925.75 4389249.5 2053478.75 7484740.5 2241983.75 2370164.25 1893481.875 2879002 3038872 6493940.5 8367889 9619546 1324646.875 3091721 3045280.5 6753500 5029776.5 3417400 2418126.5 1841197.125 6465584 2510660 4966841 6246782.5 2140824.25 7587497 4243873.5 3239070.5 2602626.25 2544825.25 814389 4025556.75 1288900.5 3593038 1472047.25 1298683.375 1635704 794622.1875 758169.5 6769579.5 2326111 1708252 1497992 233435 2044939 1622724 6694147 634720 615973 4184356 2908677 232670 1542146 803493 4221977 1137130 1639334 385868 2580183 986970 5990155 5016478 8630522 10002433 1444957 559406 10172679 1807544 593538 1542146 2654957 2547532 744075 6584484 457539 2464617 457168 1950056 661064 1797980 2980174 5759757 4431276 2296409 6239038 1032192 580459 523267 2437222 1032955 2846860 614448 500974 1448193 6921659 551473 9288341 729999 1043107 605018 1956060 2514858 5278336 612105 736102 2282403 3789192 333293 2068959 2853807 1780136 1687345 3310147 863865 737035 730632 1068575 823031 1032882 518214 368161 481547 8684293 9056564 9247444 3336595 1879901 1297041 376245 490702 10148817 1278063 3299717 793133 1007426 551915 1866809 1223150 2551471 1384108 551447 2-linoleoylglycerophosphocholine* NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 183852 164375 801390 41480 169857 160397 2127324 771511 76840 66354 562801 154558 22543 51969 46059 158136 6171012 19457 67258 123075 95459 93833 0 0 5313664 81474 54064 357565 104724 34136 50131 438575 158136 64660 1413252 152768 31672 194177 207002 112546 0 28735 52341 14256 295994 152386 973804 50562 90220 139132 263064 775932 166649 0 68600 412169 83391 3684480 400096 62027 193468 0 280154 15754 3042350 0 1365889 163130 21969 0 153142 916279 1158577 3153818 12162 206551 540498 31945 36077 629432 0 0 23978 0 119007 2346953 7385454 13053295 1574779 0 58761 286596 367061 608655 552682 103464 153797 0 32372 196352 2-linoleoylglycerophosphoethanolamine* NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 50255 25219 122068 6087 84039 0 494448 305204 7555 0 137300 35369 0 0 0 16726 1491882 0 35820 60397 0 0 0 0 1223782 0 0 54373 24293 0 0 74755 0 30581 189315 51624 0 30318 18018 0 0 0 19852 0 30565 66757 250135 34530 0 33300 73737 83346 137240 0 18121 0 0 787646 39347 0 0 0 37204 10852 1165123 0 220513 24042 21606 7706 29217 48874 495235 746283 0 37397 51624 0 0 65930 0 0 0 0 6796 451111 1498997 1398780 161626 0 0 0 105785 74495 161075 37407 36110 0 0 20899 2-oleoylglycerophosphocholine* NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 218023 258563 2661140 41894 478307 63581 413374 392139 79415 40570 35611 216736 135808 220374 187647 303758 6688480 188806 274469 241314 89835 88098 37143 56769 8296068 123956 42928 623776 701442 60995 30698 564911 48008 183006 1822806 343008 115708 85602 312038 465867 61479 141344 108889 27222 444608 141274 677556 53049 92095 39448 803896 1232623 106593 37486 25093 1150091 141512 8687051 385549 300526 277280 0 385830 63447 55205 33391 2524726 509348 22059 16867 177273 2665663 2449842 2930870 21966 341718 188227 16364 61348 223316 0 0 50789 0 126556 1117821 1412196 13594710 1819650 37628 269484 3351875 652249 1158114 148047 188227 710652 38471 14074 146310 2-oleoylglycerophosphoethanolamine* NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 22686 22587 208518 0 61665 0 44303 56251 0 0 0 0 0 0 0 14207 567858 0 38898 0 0 0 0 0 623150 42013 0 26911 53443 0 0 34797 0 29900 58141 54295 0 0 0 0 0 0 6145 0 0 21883 67804 0 0 0 109507 138959 35449 0 0 0 0 887742 0 19899 0 0 15414 0 0 0 185058 0 0 0 15577 84380 246714 186368 33365 24774 0 0 0 0 0 0 0 0 0 58742 81247 731567 84557 0 0 49848 30375 55147 0 0 63912 0 0 0 2-palmitoylglycerophosphocholine* 0 0 0 112548.2109 0 0 60260.4922 0 0 0 37671.3984 44623.7227 0 0 67543.7734 0 36137.2891 0 0 0 57638.2266 59593.1172 0 132793.4219 0 56221.6758 104622.8516 0 1498361.375 2721846.25 1421839.125 1432680.125 0 0 0 0 0 0 30602.25 28331.0801 62783.918 108585.5313 123213.1484 0 0 116122.2969 0 0 0 500633.5313 989202.0625 92356.5313 0 80243.8203 0 21467.7012 0 1554081.5 25464.3242 30774.9805 655131.5 121821.5703 0 0 0 0 11335.8701 51071 215074.1563 552170.0625 544433.75 1759474.375 0 0 0 0 93149.0859 298036.9063 0 0 0 0 61555.9883 0 93957.9063 0 78012.4063 854829.25 1326251 412332.7188 0 0 155597.5625 0 0 254826.4063 370901 370753 1210370 378687 652715 53637 2335375 89444 224115 121014 29635 269066 0 1198192 261132 633048 517859 180671 404894 91861 151621 214180 51363 124033 836529 129519 874653 1438377 99034 347404 189219 776873 780748 920158 989392 1044503 176959 422524 447438 602475 136289 250422 193827 65924 764591 461306 992218 95102 1108734 91018 1057781 2520874 13551 33846 96643 3254710 465961 1702113 622333 779555 1737737 25881 553502 39830 100777 113411 1229445 248518 34765 16564 539204 1598204 41284 104301 14413 792805 1506344 276479 188761 158858 0 10546 375207 36320 233577 93951 254684 4303643 1275492 30187 292415 2461215 617266 713121 1789438 187711 417494 31671 70865 604551 2-piperidinone 19319810 27702656 28273184 32565740 24243006 21878698 27797740 32606948 29255670 23832580 28279082 25067762 29028858 28269184 26918360 21861080 23686256 23397122 22550762 27797740 28443440 29694678 37332164 31602742 28825758 28933588 27322294 33882512 30395610 41249376 30816566 32434678 26723966 38474768 28452978 25462646 26442500 26279406 31130430 27542656 33346530 29971686 29379630 27285760 27175254 30437992 25252550 30976958 20414714 21901854 28717018 25983498 29111526 34021308 31208220 22945980 25017364 28819664 22761096 31514294 29567494 28225058 21623404 29629958 30009834 28342632 30488230 30496272 28970486 30667738 25802698 27579130 24400432 28439594 30569170 28190536 40956056 26734914 24695188 24715494 27102914 26731994 29650208 27621060 20729758 21692660 31552416 25914782 24721654 24584148 26676060 26996014 27266398 25938746 25776506 20631520 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 2-stearoylglycerophosphocholine* 32634.166 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21617.6406 0 0 0 0 26208.4629 32091.4512 25405.4395 256847.6563 189010.2188 174490.4844 337845.1563 0 68600.0781 59623.5391 0 25784.5098 0 0 0 24089.3184 47319.4609 32601.7871 0 0 48375.5508 0 0 130267.2031 95807.0781 67043.5625 21154.1113 0 0 0 0 0 115275.2031 0 0 102359.3672 0 35685.5117 0 0 0 0 36513.5703 60962.1211 166044.4219 0 134224.375 0 0 59936.6289 0 0 0 0 21213.3223 0 0 17700.6855 0 0 0 0 133035.0938 428520.125 206414.7813 209853.1406 0 66018.0781 128709.8438 0 63490.1016 130164 74464 249160 45649 284490 31295 218228 39416 26203 0 0 106619 0 101194 36241 87389 204379 25654 123589 58600 20535 33316 20307 13412 129849 0 79420 156725 35443 60812 0 84536 166557 70026 161804 237707 14912 50741 48173 73765 0 45744 20367 0 73765 60616 117849 48546 51524 46633 133779 156317 0 0 20670 99196 77070 614659 56108 66694 92977 0 77504 16992 0 0 145100 38916 0 0 65658 145635 0 21527 13383 102977 195683 0 25422 0 0 0 50144 0 39093 0 24201 382293 175320 0 47326 227672 88262 184274 216410 75067 195590 15321 48079 83759 2-deoxyadenosine 0 15715.9189 0 0 44554.6133 0 17974.8809 63306.3867 34094.8164 43028.5625 89826.8047 49715.9844 45425.2617 52490.8555 34957.9688 26125.7422 33099.582 36049.5859 47591.7109 21629.4277 35608.3633 27214.9629 70695.7422 140502.1094 48826.0938 48214.0742 71478.1953 77685.8906 0 50328 30620.6738 70360.1094 83919.8125 56156.8789 61830.7656 62597.9414 41903.1367 0 67112.7266 71829.8203 25785.2793 34919.5313 0 21382.3145 49271.0391 0 0 0 9914.4355 0 15015.6201 85971.5703 63528.7188 0 31769.7852 36842.5898 0 83604.6406 80661.2969 57286.4102 138582.5313 69720.625 29397.0449 32218.1758 67656.1797 48354.6523 52374.8008 71617.5781 0 31950.3164 58123.0547 57428.0234 66307.3672 47670.4453 53611.9141 81628.1016 94593.5625 25477.3418 100427.0547 65106.3594 25890.8379 37339.6523 53473.9141 26796.1309 0 0 0 103142.8906 18970.6777 0 0 0 0 14989.2246 0 0 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 2-O-methyladenosine 1548842.125 672955.9375 657780.75 1794523.75 1547357 240370.2813 245216.5313 1274654.5 1450918.625 1186570.5 1025756.375 1060565.75 1173007.125 1178712.625 1182420.125 657817 742134.3125 1367017.875 1424469 1497338.375 1199397.125 1149532.625 1184340 731550.0625 678381.25 1343419.875 1908121.375 1871990.125 496950.2813 413032.6875 179493.3125 603463.375 2633909 1095375.125 934259.875 1178160.25 1250977.5 1060565.75 1920607.5 1320058.375 849441.0625 1046915.0625 1899385.25 1708362.75 2280303.25 343383.6563 850260.4375 1526430.25 1325250.875 304507.7813 473188.0313 577317 890680.8125 774459 1535627 1192957.5 937960.6875 87193.5625 1376546.375 1103297 387845.25 395558.8438 1672790.75 1633698.875 1545248.75 1364457.125 1633728.25 769561.1875 432720.5 514681.5938 1031058.3125 812729.5 1652632.625 695509.1875 773104.5 1255239.125 626815.3125 1812171.5 525740.125 977251.625 1211032.625 757248.75 924823.625 913424.1875 489097.625 4843009.5 1142678.5 451790.4688 697020.625 1379271.125 1594139.25 1131211.25 180722.1875 257609.7813 793869.375 358907.9063 589989 1398687 479126 626090 2981861 2336878 114169 13946 1084255 2562797 0 815515 1859647 2744367 3176635 996235 95796 904104 796896 2320491 1956470 2239779 6070323 2412716 159154 843838 737684 2706171 3702041 847122 1013981 456768 2564607 995338 2021792 246121 883012 926444 904104 449924 1491051 1045297 673795 745551 78209 567299 500318 160997 367380 148304 625793 171611 2216049 1576415 4347786 953144 696201 197263 1551210 684058 399338 2253519 128289 2425968 5738 1275300 849935 842931 1035415 1471831 1239656 1170255 0 0 433680 225675 242828 428134 3614615 7959 3865074 2256413 1858923 2705876 1881920 55772 11893 409587 1361635 1870636 826569 316419 186657 270520 166538 904104 3636612 3581556 5092160 1198430 3-hydroxykynurenine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2156672.75 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1067505 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-methoxytyrosine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 63780 57964 67174 140150 68342 14631 31994 51738 48895 155969 7151 32530 56294 0 53408 54389 37983 89441 12586 19307 0 0 0 50461 41911 0 69005 72197 45747 172107 0 15945 0 56747 30652 44579 0 34679 54972 0 0 193373 30896 0 97247 65947 15003 84278 0 68409 32052 0 114419 0 77298 0 48050 69439 0 0 0 0 50342 51449 71304 0 58080 185846 45581 100716 63811 57843 45529 42394 42215 54730 70223 185345 32585 26000 84486 0 0 0 59329 113517 46633 46005 19037 57519 124309 99386 44478 45567 63637 16793 37382 0 73919 79412 3,4-dimethoxycinnamic acid 110719.2813 73607 197576.3281 364333.4688 314932.5625 95027.2578 68995.0156 217705.7344 192689.1406 108492.7578 229387.0625 424591.8438 150969.7031 53010 185431.7656 729971.9375 1863760 324818.8125 205418.0938 45172.4453 201168.5313 742148.3125 184498.2188 0 86784.5156 127746.4219 295221.2188 164696.5938 36247.543 230916.8438 398765.4063 298872.6563 293964.6563 108115.6797 41196.5195 468757.625 276748.5313 117970.9063 45149.207 0 92484.25 136292.875 57403.4805 106560.625 51487.043 93908.9141 141328.5781 170156.1094 343236.9375 438253.0625 514436.4375 245722.4688 217152.4844 147720.3281 79023.9297 156948.9844 188343.9688 93448.7813 98447.6406 195435.7031 340635.2188 130806.9141 192543.0625 292862.125 177675.4844 73392.6563 105991.8984 155730.2656 130575.2266 185194.8594 223983.4688 253172.1563 195446.0313 517522.9063 301353.625 189829.6094 153170.8125 603907.375 279248.5 267760.0938 121447.0156 121564.9688 299319.1563 202279.2344 206212.4375 168288.6719 103363.1641 130369.5938 177675.4844 97659.6094 110554.6484 129552.9063 102634.8672 108615.1484 115427.4922 393287.9375 25143 67342 47668 0 31280 0 21763 20085 186756 74674 7189 46634 39486 122988 44324 95000 28807 1095 197067 70422 32336 54384 0 56157 51062 157260 71046 91287 91557 16719 18201 23547 49899 0 36779 116009 15666 47502 51712 17528 0 43461 23067 1561619 95119 0 0 21895 0 30170 9101 12998 129437 26088 80071 51887 0 96058 0 81956 140300 0 12636 84764 0 0 47269 81252 43458 74234 65996 226051 33066 64537 73470 89650 33052 17240 71747 34852 36238 0 144384 136058 47248 88449 26073 17819 96170 0 0 52494 23584 56358 85486 7262 49365 30449 49365 25257 3,4,5-trimethoxycinnamate 2332907.25 1602377.75 3783243.25 2431705.25 3357648.25 716606.6875 657392.625 760805.75 341051.7813 381074.125 1807905 1709551.25 830790.5 996187.375 913471.125 1219948.375 3603399.25 1213389.75 4086375.5 951023.9375 442355.1563 403009.375 326429.2813 261735.2188 776117.3125 1080178.25 2071604.375 3168253.25 35313.1992 20560.3691 12209.3369 18397.2988 2703330.25 328040.3438 490170.0938 6144231 5631849.5 300931.375 387703.0938 524826.0625 1783773.625 632606.875 27062.9141 0 12667.5469 45013.1406 133174.4219 104941.1406 287864.9063 1612678.375 1376510.875 572068.5 98716.7266 468219.875 382013 1486583.5 557739.4375 106515.4141 74067.7656 91321.4453 3662914.25 3820486.75 319461.375 1076800.875 490170.0938 173612.5 96335.7578 54851.2813 19371.875 35135.1211 109369.9141 81924.7891 574076.8125 67839.2734 129635.9766 1379070.625 1124681.75 872243.625 3927550 1425133.125 1526799.5 1916084.25 3638217 409036.5625 324256.625 398978.8125 1120325.625 490170.0938 38021.6641 14979.2031 47295.3047 137529.8125 19384.4922 23812.3223 83339.0703 148713.4688 191999 120322 351793 641900 37489 2403258 685943 21429 5372497 4669684 14161 211455 653093 9650338 4264995 2403423 66327 250334 63310 310676 2886120 1744362 475154 2714967 34302 13706954 24216 5468839 505669 462560 874870 3820927 7028469 1659827 94066 64750 320738 14233213 5267273 154782 39291 13909 21089 3622904 1660805 18302 75822 120136 6267 71099 37767 3871 62575 191999 23842 1040790 22918 63544 70204 1660363 2235557 462616 40179 52550 50113 1177861 133664 39436 70736 1023078 9082385 56444 16814 0 223626 518392 278774 91174 4343749 140156 92901 1356941 5185087 3487344 10735 7235 0 17982 27324 866348 73666 90924 42615 52597 1063940 50880 33713 321432 145596 5318933 4-acetamidobutanoate 309678.7813 243991.2031 144292.8125 290224.9375 199888.3594 245587.4531 148660.4375 112046.0859 206024.5781 228388.25 183305.7813 183917.1094 174642.2656 173863.625 157690.3594 121537.8438 346857.625 121305.6641 89694.875 65371.2969 174263.2188 120751.5781 103287.6641 160007.875 157006.1719 154704.6094 87148.5156 177561.5 172414.9688 527208.875 421089.0313 173339.0938 134137.8125 104359.6406 117579.125 194878.5781 120707.2188 98895.8672 107582.7734 120225.6328 104649.4297 148544.0625 461664.6875 155420.7969 212500.3281 177250.0625 498832.8125 416824.4375 162014.1875 131949.0625 179703.4375 124079.2109 658050.8125 187552.4531 254654.6719 322885.125 344124.3125 252913.0781 131042.6563 73729.4531 150285.8594 140242.625 111198.7188 191954.5 140775.0938 124091.2031 249932.375 241363.8125 336748.1875 343277.8125 300833.1875 340014.1875 76064.0547 132293.25 293203.6563 106292.6797 169848.3438 146246.9531 145628.8438 173339.0938 236516.0938 137144.5156 130524.7344 171932.8125 233962.5469 3315001 139112.9688 232017.8125 275741.1875 192055.3281 104601.0625 137478.125 234841.1875 180288.2031 266370.0313 198042.875 204891 213298 137177 96684 141827 234164 77706 0 0 242271 0 58004 180766 164406 100783 0 0 106021 332106 137948 80068 282835 105564 83752 0 173499 191889 204563 820095 173253 104118 199228 382733 0 0 195390 152793 138342 91506 160800 132407 274592 306423 145174 190068 190102 160800 0 207421 0 237829 182375 1172073 266950 175933 206824 114207 0 127355 85330 245381 94725 0 227912 0 124675 105315 163426 110549 118156 96393 749688 0 0 171905 0 94402 0 93122 0 0 158173 99098 154338 158790 0 0 204626 89864 204559 64074 97105 176268 103861 75696 193441 286802 132853 260558 0 4-guanidinobutanoate 1331770.125 1079887.25 2772452 1118457.25 3924152 2646913.5 1192497.625 1071798.75 1182928.75 969768.25 383543.875 822023.8125 1042601.8125 992812.4375 857240.5 1157404.875 587611.625 564231.6875 584340.1875 985964.5625 1572335.875 3661722.75 1136385.25 846580.125 2245454.5 590402.875 974965.3125 1471943.375 3485580.5 6402700.5 5144085.5 3257262.5 1909013.875 1461900 1241612.625 993021.1875 1246032.75 644218 643876 863097.3125 775084.875 975381.125 972963.875 1300296.375 1459677.75 1671324.125 1120139.625 1680220.875 2325386.5 4608173 3981315.25 1241612.625 1857204.625 1069077.75 946403.625 1930721.75 1844981.5 1233326.25 1424173.875 657428.875 1458475.125 1111836.375 1388189.125 993788 119846.0391 1834610.25 1070228.5 1023908.375 2086276.125 919536.5 2799649.5 2697036.5 803271.9375 9982106 902196.9375 376732.25 1229121.875 1027444.9375 1616897.375 871413.75 1823681.625 1143269.875 1535982.875 1419590.75 1309144.375 2320812.75 2131437 1363908.875 4164667.75 1051206.375 1312668.125 2903617.75 4185293.75 2049453.25 1921601.875 940386.9375 848376 1434467 506441 2073791 1371031 2514467 938888 386897 913496 1361528 169651 765435 660108 3962410 1400235 992050 1524981 1371031 3108836 4861597 1793463 663433 1303950 1394577 1348434 1188659 3141373 4117296 183853 1264323 761221 1383923 1637847 1155382 3207770 1487571 412790 1026764 1380534 484119 1795658 9982286 892984 741992 1052085 1491796 388771 2252280 2581363 1897360 838670 839576 1624963 1731100 1978425 6117499 550474 2978633 827611 956560 1839001 2131327 437737 1901424 318165 681532 344834 719440 993375 1523111 1436076 2493094 12228769 4296369 437433 602727 1223191 903735 864434 687355 1224886 1394452 2053242 2919895 5573498 2014918 2632900 2576458 1273070 5547601 3132185 805067 753682 1087035 1148373 1811387 1712518 1493529 4167724 728666 5-aminovalerate 1768046.25 2235719.75 492107.5938 735647.1875 140185.5313 302848.8125 1110961.5 535067.0625 544066 410893.9688 0 1051497.25 318208.75 583533.875 349407.25 650171.75 511834.5625 405209.75 833515.1875 313480.2188 0 293527.0313 290208 124891.4844 216667.2344 0 680917 409818.4063 1105260 201441.3281 552891.1875 833223.9375 435438.6875 880047.875 890528.9375 498482.8438 520456.7813 826533.75 0 277915.5313 423911.75 1558819.5 487531.5938 444830.5313 380854.2813 1407120.5 605689.125 1179914.125 948323.4375 543892.25 1232648.75 269326.4688 536976.5625 703787 550981.625 1217144.5 1956263.875 1309972.75 563477.9375 1085545.875 344535.5 225187.6875 684900.75 576679.4375 183732.2813 874986.8125 307029.5 515446.75 0 0 727834.75 2526336 172420.5 571420.0625 482921.3438 269740.9688 416010.4688 206877.5781 689580.75 482991.5313 562112 298622.875 353676.0938 465794.8125 1330953.875 988573.75 680455.75 198717.3438 1017995.8125 2580662.25 4005306.25 3259656.75 360701.4063 135496.2813 886268.5 176765.6719 487364 1641506 346047 2418201 643992 219457 1008785 97219 357182 1002203 278531 987584 374210 170999 845527 633371 320929 1717610 55470 170848 216723 0 218475 1001237 390946 0 931683 828144 162968 856080 62769 742996 1104556 1201172 236793 43738 221824 733082 820397 0 0 2700534 1179829 256043 194900 1933676 420804 590613 574174 572775 1178038 375590 969624 32867 633691 137642 960330 365419 50041 306842 127314 132060 1006675 369087 237624 0 621196 652648 628467 317579 447106 446408 443661 334835 376175 665509 623165 909516 1136502 0 506339 147326 330324 400219 961026 300750 257879 205316 365071 184736 579059 337708 1414147 1328331 1031896 1140137 447106 289869 473407 722663 5-hydroxymethylfurfural 2195494.75 807913.375 2310000.75 2258183.25 1553815.875 0 1085679.25 1790842.625 1046476.75 1811664.25 11187195 2836265 1129210.5 2351633 2932510.25 2069820.75 2339947.25 3571058.5 972072.75 2283052.75 9009649 3655179.5 8813066 11417801 5070115 4780062 1629690.5 1520664.75 1408615.625 4735648 2271179.5 3447735.5 1905143.25 4592406.5 3402017.25 3335477.75 2958603 3543167.25 2938181.25 2726061.5 2295498.5 2579973.25 2504400 1918022.75 1439668 818324 701491.1875 1525937.5 0 2110414 1615619.125 2799043.75 2186286.25 0 3141104.25 1629787.125 886891.9375 2899565.25 2863494.75 2347560 5230302 3249673.25 1019845.625 1116005.875 5336520 2354974.25 4276391 4779191.5 1531605.125 2295870.75 1596130.75 1979629.875 0 1219138.5 897413.625 5473707.5 3366245.75 4160420.75 2863707 3932222 2003678.625 2295870.75 2585544.5 3339227.75 558148.5 2793041.5 1784978.5 5112887 2296243 1393907 1729929 1766115.75 933112 1607306.125 1293497.875 901064.75 581034 0 0 819915 0 418886 0 49258 0 0 495234 731898 0 2406467 0 291321 744473 521852 0 570988 867770 4173748 3211039 0 655356 4628333 0 426632 1477824 838482 1701458 570763 0 833578 641649 296874 2211957 396721 0 9383376 2509843 505560 279108 0 1066466 1158382 283562 0 5952191 142716 1018358 689504 812183 1907811 0 7109305 470308 0 3838713 1363316 5033984 1918743 238234 0 508071 5505557 844692 0 0 0 569761 0 514686 762463 0 0 0 1406228 1270181 800279 1881171 7658391 2148246 2240091 249830 606291 226039 1141463 356405 1597020 816049 1359217 210589 833157 1937651 357836 0 764328 0 485672 5-methylthioadenosine (MTA) NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 3208 5213 15317 28557 124551 7645 0 53227 0 0 52080 0 15621 27297 0 13296 41687 0 0 4276 20553 0 0 0 113375 0 64060 0 18715 0 0 15247 0 177993 7930 31205 0 0 6283 0 0 23535 0 0 33752 0 26301 10706 0 11285 73041 12182 0 0 118477 17690 51499 40838 0 0 0 0 24903 0 263563 0 46008 26799 26391 0 0 0 39534 29860 9788 0 0 0 0 30063 389967 0 0 0 15001 193753 393344 301233 142133 0 8016 43831 16395 25565 7904 0 0 0 0 0 7-methylguanine 163618.9063 77555.7969 135596.4531 91992.0703 118562.8594 72639.2344 59917.293 38143.7188 113584.6328 32043.1367 0 44100.1289 185470.5938 141343.8594 95512.7109 115538.9141 66531.4766 48501.7578 74229.5703 70057.4063 20252.8809 249823.5469 0 0 0 0 80802.7734 83172.1719 25642.6758 31010.5859 46432.0352 86030.9453 0 18259.8027 0 0 0 0 0 0 26757.084 34492.832 0 52609.1211 68076.0625 70200.2031 141647.2031 233677.1875 94117.6484 65848.0313 54091.043 12296.4082 73067.6172 63412.1484 251190.8906 180686.8906 203576.8281 0 21164.9648 92360.7734 0 0 79690.9453 70343 0 33165.6797 0 33822.1172 38122.1406 53871.8711 73868.9297 55215.0938 28519.2871 163034.125 135295.2969 0 62073.8516 57524.3438 27548.6094 65671.4063 67094.7109 45477.5664 62604.3633 0 75030.9609 219635.875 131238.0313 0 34872.3828 78058.8281 88479.7344 96912.125 27688.9688 43655.7305 162263.1875 96669.3672 219682 355961 89932 18684 129638 299184 28019 0 225407 171277 0 417949 219878 36034 273999 275853 87936 105064 194063 446258 240619 34970 93766 251621 129877 129399 42633 143003 363190 150964 15829 227914 107122 35802 196735 51386 47964 212896 303164 9505 27276 102826 107460 118706 10021 77128 96223 221609 0 164982 61813 14815 347315 46467 640053 0 56041 114867 65904 59800 0 139076 129908 211668 0 0 99124 223391 135169 214481 219805 133269 13030 44503 243499 120200 24992 114384 269002 0 346503 98772 0 8607 410864 23829 19531 145719 297568 261136 90044 56033 101048 142477 13139 296708 186840 434993 452657 118037 7-methylguanosine 518735.4063 446535.5313 168837.0156 628514.6875 247013 369870.5313 504345.9063 338816.7188 394757.8125 627513.625 605365.125 559493.125 267284.5938 219451.6875 308087.75 375633.0313 485245.1875 362838.5625 258442.8906 367319.2813 843406.5625 608027.625 413157.0313 655900.875 495895.4375 497995.8125 522803.4375 278648.25 542565.5 981336.0625 325597.3125 645953.6875 601057 1040468.625 1016125.9375 670292.375 679593.875 365897.1875 272552.2813 292506.875 537910.6875 614495.1875 340938.4688 242832.8125 278104.5 216353.8438 381719.2188 639749.3125 359827.2188 340785.5625 475194.5938 520519.8125 476877.2188 259497.1094 461312.9375 270803.2813 278402.0625 509095.9375 445642.25 347124.7188 626049.6875 619220.0625 493121.5938 400046 571437.5625 734084.5625 893764.25 783539.1875 291615 389139.1875 398716.875 737558.1875 331837.9375 241117.2813 282457.625 551458.75 571610.8125 425661.1563 633180.25 508299 761284 444475.5938 428499.5313 880661.25 461312.9375 95991.7422 357969.2813 526981.0625 476983.5625 882346.5625 1170854.25 936890.6875 273097.6563 362172.1875 195895.5781 168405.75 270404 625959 113099 646214 2242135 411194 196778 9946 387411 302620 3092 285305 88783 1393978 692045 230414 163624 320735 443623 116796 450596 395886 972530 411416 135450 1019267 988100 1286252 216688 444717 1195264 72496 1061122 1244185 200887 269799 1123038 320735 113755 353018 592262 647148 269040 765854 293644 859603 213310 96095 2368968 60439 1664343 338849 739865 518185 135569 670193 566150 257647 1114332 555389 1808067 814327 175699 67330 8524 1081362 215899 359612 1240928 287558 299992 997418 14004 24443 46355 120751 229259 260338 946478 24310 625670 690067 464503 1042825 251131 28288 17057 93945 58533 454712 447554 553735 231668 313815 152724 315509 918683 303807 238593 292837 acetylcholine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 12855 16532 0 149618 38827 0 0 82234 0 0 6421 57225 124465 17340 0 10307 16426 8765 30892 77309 302122 178827 11329 52973 80723 39439 39149 31090 9771 37903 0 0 0 47336 0 37466 0 5479 133391 130343 19244 0 26917 44659 101285 0 0 81275 0 35197 7459 2261748 76536 31923762 56962 0 5177 48881 37466 267744 57598 9943 15784 0 71590 1938235 6045 14186 0 8102 35708 0 0 32985 6171 0 0 15250 0 85749008 46565 42640 36105 4823 0 0 26763 301900 21340 38457 52317 4047 6275 0 0 35882 32123 0 0 adenine 53167160 56074152 47237864 49223016 47101496 47183240 52192940 54131688 43421368 56868172 40902408 61178444 56467732 59240892 53696076 47869900 51940592 44001184 41154320 38543220 39486916 54334192 20308378 25742688 29070996 25216236 55508476 39279900 43216740 48842248 42995484 42942236 44137464 47970636 43721420 47886376 42779724 23391842 30294632 28862502 32049576 41716944 29514644 25739122 24591262 36357724 47312680 55267556 63427316 59947732 58691012 43823952 53120964 47019752 59726220 29738958 32114350 54801100 42338188 43651844 37697516 44329412 54924392 57838928 25161036 43326924 43994888 48706060 54422900 53127180 46776460 48285968 41260344 63078848 59184664 32085256 38918604 29165538 40886304 42830976 51830732 55374656 47101496 59765596 59138036 14940852 53673948 43514460 52519792 57053940 54197820 57558504 52243296 48340824 38871108 51773312 32588800 45282176 26187206 35552696 48064264 29712472 28160028 11629830 27394036 35825700 7007847 31858820 13732425 41263832 61414244 32954520 14770358 48782328 38966148 14893556 29430382 24194432 33364556 35761380 14232177 24386856 49867636 61352728 14264501 42422224 25594096 23619182 44546852 50596752 20559322 48870716 49666744 25242946 25122480 21441924 29923430 42561336 41794820 30003428 53910208 42187332 29236986 18272218 44825608 17778910 33841924 35306652 30385294 31922882 12510103 25625050 39284936 23464260 41942068 31794752 41510000 40758056 26778272 18344834 7601897 33591792 26200412 36875536 46261784 33873172 38888376 40282248 11796740 12315374 8556057 26831058 34592872 36028048 36636648 14971522 28326490 31858820 28878496 39122376 38589184 12140301 12495699 18986620 17639414 34130500 34507568 37053408 29051194 31478624 35750564 31791642 41032340 30960322 43500228 32168638 adenosine 1551230 3879187.25 698941.5 452104.9688 208860.2969 1446242.5 1336974.75 335613.8125 49881.0703 116733.3047 868060.125 529731.8125 1178909.875 1154521 477901.5625 605685.125 891907.3125 510402.8438 826859.0625 512291.9063 281468 541741.0625 304180.5313 1558531.75 1634630.375 466704.6563 2620570 1169412.25 11890646 12344040 35404968 38263216 1154521 3580630.75 3127870.75 837985.75 871340.875 75454.5078 165110.5156 392099.25 892818.1875 2968434 229425.5781 109214.75 475226.2188 142397.7969 1762767.875 1765205 1904542.25 3195762.75 6246898 726703.25 849137.1875 654869.9375 3379731.75 1130131.875 248806.8594 70615856 341769.7813 1731331.375 5074543 1672355.5 1274050.5 1909774.375 231202.0625 268609.375 712062.3125 3764357.5 12110422 8513343 1274053.25 7780610.5 978124.5625 6510228 11321103 270338.8438 1266805.875 319938.5938 1817763.625 626588.125 649365.8125 527497.75 666255.25 1824403.875 2136333.25 224821.6719 448327.5938 1938087.75 8841797 11051737 2922432.75 3380497.25 1559666.75 1695091.125 369871.8438 4639259 887365 683454 254918 9244231 24405408 2078257 269204 13522793 1715350 998337 5494150 333272 3763790 15322020 3787021 601074 89808 1346688 2226982 32347 1739212 267462 2132002 4190038 278545 1017263 9762631 5812986 1499820 3955937 3029853 211151 11402609 16637231 90642 8312808 5885496 167023 242265 4875199 3946710 3513761 1034198 1499820 40256232 5036140 443707 75573 23459520 64317 27896992 16477721 3061113 893266 69246 25207774 6052804 971259 1481667 7734707 6671823 788625 1168636 191198 4344355 1117296 8070893 719554 4912708 289313 1804494 5018223 887882 1450510 384855 412806 6382091 580491 2534838 14630329 63709 716060 4552468 911579 1284290 765384 867249 562525 394469 565021 15228636 31880138 868413 1717848 1978548 1827829 1028447 783205 586705 1761360 adenosine 2-monophosphate (2-AMP) 0 0 85838.7344 64158.2383 0 156687.7344 150693.5781 0 0 0 127862.0703 73469.1719 43012.2305 0 236164.375 56852.0352 179775.625 0 16541.2461 0 39784.7891 0 0 0 0 0 57374.9297 0 113360.4219 103316.5156 64158.2383 65933.25 0 42168.1602 0 0 30666.5938 0 0 0 0 46495.7109 0 0 0 0 0 0 42423.3711 199296.6719 167742.7344 60660.0078 0 38025.5664 0 0 0 61022.7227 0 82982.8359 72930.4453 50541.4648 87184.9609 85903.8828 12622.5342 0 0 34438.8789 33783.9531 137795.4688 76061.2109 121921.9063 32565.5605 142973.4688 265815.5313 0 0 41511.8398 16131.5723 0 0 23726.207 0 64158.2383 86146.4531 0 30669.5898 224226.1875 42333.6758 0 0 0 43487.8672 35258.6328 0 161609.8125 137184 134221 65530 21944 154862 34122 42132 18594 110160 272355 21603 27230 18115 124809 95582 26476 264781 118894 200362 33078 66451 30717 4069 119860 597080 16904 59539 197415 9259 157982 75075 58485 237693 87737 1199310 95395 405455 91860 19782 73623 58355 68118 72677 226725 180277 28666 45581 20655 116277 22037 27967 216838 75650 56208 0 41533 39498 133703 124276 459265 178546 7402 78521 64901 21011 47913 32623 49818 25016 19275 150058 252676 149763 60175 23421 109332 123334 36015 143104 79617 0 6804 37853 55270 23971 212782 268783 101811 76527 0 359160 702624 68951 88887 96293 34049 72487 83699 90305 246562 adenosine 5-monophosphate (AMP) NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 19358 17994 12510 55391 56513 11120 9189 1507633 16343 24507 181581 11271 3793 30591 53674 10102 57960 86663 65431 5121 13903 0 6747 9211 224291 7412 28638 73568 16902 38234 22291 33586 55715 148112 14602 257354 68300 27681 21609 290499 9622 22841 6134 0 309288 17883 30534 0 62362 0 29594 108225 22560 5500 4795 6981 183152 165965 42404 28638 41712 0 24619 5977 331642 14726 14129 38996 3675 0 24410 68990 42672 79703 0 24267 68333 25088 17863 954703 0 0 10853 27522 21986 44242 98228 63691 32515 0 56285 91122 21846 99153 47287 33605 15130 11280 13178 52432 adenosine-2,3-cyclic monophosphate 156652.4688 239936.5781 169995.9375 311621.375 107162.7656 347456.5 773487.1875 93208.8672 58090.6523 0 137898.0625 174655.3594 81397.2031 43230.2617 629794.875 438327.8438 1139903.75 171991.5625 169327.75 117819.7734 138879.2031 476662.2188 26091.2461 0 21391.4121 341329.5625 510025.2813 47892.4102 136456.6563 0 56141.5859 190416.4688 114088.7422 95408.7891 77259.3516 112775.6719 48399.9609 0 19551.293 9837.4814 12538.0957 45273.1289 0 0 0 0 58746.0586 0 0 887318.75 964130.625 214291.1875 0 173733.7656 103230.1953 479281.5938 69686.5703 1221218.375 0 637872.125 504146.375 331352 373738 698790.1875 98892.1094 95991 78615.1328 0 1158507.875 1715302.5 1020099.3125 695067.4375 112507.1406 1452034.625 1156062.75 71682.3594 316539.3125 196013.5 433485.125 375465.9063 122675.75 52332.5195 43621.9648 171991.5625 766559.9375 0 95013.7422 429545.3438 194346.0938 78469 0 25794.5938 380583.25 178682 0 1380455.625 232793 95442 74994 29874 339736 196072 137868 95049 720590 683852 114398 0 141542 220274 371551 34981 136122 178366 42356 127212 461902 0 51649 58441 116056 0 273918 104804 187711 346208 114141 72130 0 71769 96822 58672 683483 124918 35726 337813 300867 113545 229803 1381971 1259714 205276 177082 106134 624530 129684 214331 697370 678937 51388 94548 2219508 20578 45594 0 1509638 598688 0 31480 199986 41475 133066 56513 0 224954 130209 174767 137112 431167 155528 145647 37223 130088 112591 230470 375749 0 137868 225088 0 53658 232682 92935 81527 127876 0 531752 2244498 29814 29422 121675 106291 213432 369660 162185 332116 alanylisoleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 26672 13222 3677 38443 38924 26885 33088 9529 19352 141394 130542 4393 40114 8964 41278 2870 13605 27521 25899 8122 12250 7117 11060 9957 8403 9042 21236 66634 19117 22018 15341 2405 61518 47336 0 26583 0 10373 10584 0 5754 16799 39223 16041 75451 15685 31557 35412 19587 21228 25026 74043 31658 0 1726483 0 21015 4837 0 22020 15931 7400 12023 14574 28037 8900 37437 0 10774 17502 21054 40827 59289 29395 50114 20978 30383 16173 17476 20467 3779187 8662 63876 11241 11249 66112 14286 3316 6510 7180 9505 23431 10090 6245 58106 11297 112729 10229 38703 13785 alanylleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 55318 13398 10036 64679 85557 100309 83229 23865 44013 240036 176855 0 84286 8238 59821 0 19761 32021 21321 38880 61602 35419 43931 39501 14493 30895 28823 60223 83388 54013 61136 7137 92298 37242 10619 22710 24852 34241 6020 9920 20159 16789 42382 55573 68797 31914 30682 48674 23103 44957 32266 139378 61704 24021 5281303 0 18206 16649 15693 65885 70159 9756 15499 39708 101780 66305 60358 0 24308 37057 30103 41715 135265 55241 104251 34798 28120 43749 33582 31991 9148632 26803 232084 30415 3797 91341 101373 14311 12446 10505 14235 53774 6403 8602 84363 14528 143875 14688 59350 72620 alanylphenylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 12069 3527 0 23303 28667 25583 21462 5266 13299 94183 48639 0 31146 3747 45343 0 9927 29702 12294 4827 10992 6358 11805 8690 6606 12308 8272 25851 33815 18858 12074 0 18356 11034 0 10800 8438 9303 2635 0 0 9924 24056 8003 23920 16676 29000 11948 10051 14090 11977 41982 22184 6578 2996681 7590 7669 0 11346 24649 22695 4970 3053 9699 17639 9241 18389 0 8393 15988 7285 11948 26114 11076 49843 8562 11710 11948 9868 10086 4088113 10708 166685 11599 4839 23704 13154 0 2071 7904 11004 24739 0 2736 27854 10107 56655 8394 41029 37481 alanyltryptophan NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 36282 25756 0 18766 27245 90408 38417 4535 18022 191950 135239 6177 34707 0 61334 3043 4158 30141 17633 12682 37934 32365 12505 10511 3090 9226 10144 46486 28592 22099 23722 3633 28198 13455 5238 11875 0 16397 16304 0 7802 9869 15197 3970 30599 3809 19625 25436 0 14255 5251 224037 112093 11225 1433784 0 7657 2310 9784 24080 8442 8781 0 15446 22160 7896 27110 0 14128 38809 29369 31783 21765 7454 169821 22811 13501 42003 9588 6117 1508109 18584 26828 14500 6345 24950 17726 5523 6131 10027 22645 9383 6362 7823 43593 7656 49473 8524 56123 57773 apigenin-7-o-glucoside 0 8144.8931 0 0 0 0 0 0 0 0 0 48092.668 0 0 32679.6035 0 0 0 0 0 43485.0195 38877.3711 0 0 0 0 0 0 0 90840.4297 16008.1143 0 0 0 0 19569.998 0 0 0 0 0 0 0 0 0 0 0 129108.0625 0 0 0 0 0 14096.8213 26856.8203 0 0 0 0 0 88095.7813 28713.9688 0 0 0 0 0 0 0 0 32401.8887 996010.9375 54832.9453 0 0 0 712460.5625 52903.9297 54728.25 82884.8281 0 0 0 0 0 0 0 0 0 84581.6875 34066.1133 0 0 0 0 20199.2891 0 6214 0 0 0 29904 0 0 48335 0 0 0 0 63932 5376 16267 15184 16625 8362 0 17100 4101 6668 2239 9353 3008 2830 39979 7348 23579 0 0 33218 0 0 6891 4581 3549 0 439961 0 7646 0 0 17703 7805 0 0 0 0 0 0 0 0 0 4126 5138 0 4846 39223 0 8333 0 0 0 0 0 0 22366 0 0 0 2803 0 1816 7050 0 0 0 0 4095 0 0 0 0 0 0 0 1804 23685 6945 3203 0 0 0 8866 0 4148 0 0 arginine 2563870.75 3656825.75 924879.3125 474630.5625 748420.25 1747677 2735317.75 766143.4375 2226332.5 803321.375 100743.1953 464946.0625 1838852.625 1706888.375 370849.625 899515.4375 375685.2188 185928.7969 468664.6563 260374.9844 124673.1328 369942.8125 220922.4375 307968.7188 207443.7188 96614.6641 570532.125 478324.2188 2928775.5 1009676.6875 7244831.5 1305593.25 621600.0625 1469682.875 1559553.125 398188.8438 748420.25 802972.75 107578.2578 216256.7031 146640.1563 498333.9063 241333.7656 322244.9063 402494.75 15649437 1831665.375 4372519 2605920.25 2621401.5 5192344 331755.625 677379.3125 554721.3125 857414.5625 3215123 5235298.5 6824932.5 783822.375 1240862 241323.0625 389761.5625 713018.125 1602484.5 0 605013.125 682888.625 555216.625 1233833.75 604885.1875 438148.8125 4178148.75 108957.6016 10365484 9858079 0 208873.5156 94079.0859 188494.5938 310520.4375 707382.3125 140977.8594 368087.3438 688144.5625 2381944.25 911413.375 1576466.75 257009.0781 4717344.5 6841002.5 5668371.5 13253920 11630329 31303342 3294531.75 2220237.25 1698160 2760975 2137592 7225775 2633708 2091425 2262611 2790623 1495579 6348909 445166 974979 2907189 223654 6358049 2076890 1069271 8192743 10080283 354544 730653 32583 169738 3584892 472792 216332 11028946 19468962 513464 9080900 140411 1685183 1071604 9024727 296851 12218960 799116 1457659 1202542 37210 218627 11764112 3977412 837107 4330442 4420149 1484671 3934749 3237891 3959874 5247764 7090277 13074663 386464 10943462 1334319 2882253 1588765 147359 1257824 447576 1446349 1658891 11686256 155045 239855 1985001 4202084 2091425 4205421 5718230 8245982 613193 461006 1150164 1836091 2105959 23680778 4386650 1217670 9076829 2072507 972552 836797 16885808 1734252 1262164 23474288 14099769 2307850 11213916 2625834 1599405 1368800 2996640 1218281 6107928 3491083 3375892 2629495 asparagylisoleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 33403 28774 7866 31899 9637 32577 16467 4496 16509 80342 13823 11566 17736 0 33589 7670 23995 30777 22856 18754 15852 0 8930 15852 15351 0 12936 42398 8094 17510 0 3983 18119 29335 9471 9633 0 27522 4988 0 0 23750 17860 9468 0 13456 12789 23072 0 27601 4962 19150 30471 0 224512 0 20323 3181 0 7166 0 0 11781 15852 15851 0 12528 6949 15644 20590 25462 25258 20717 5838 20911 16627 8320 26603 31876 4808 989673 6592 7091 8063 7771 14492 8727 10255 20503 7422 16720 3071 14594 13111 20703 15481 28289 11528 67399 22264 asparagylleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 193910 169519 67092 141647 46753 262020 101319 12645 102767 580108 100646 65198 141873 10779 293552 26036 107703 274267 108263 133398 162235 40405 40270 186220 72948 32094 86850 300844 76952 135015 69306 37775 106833 155756 71997 47738 69128 160610 35544 3587 21022 97224 168016 91414 244763 34529 141080 162775 22658 142549 38078 142451 566101 40263 1685525 4650 96129 27814 39888 116576 74199 30474 64369 135937 64916 99321 126615 47157 118035 210974 341444 175354 96616 45389 277760 113488 57112 215929 159502 21948 4521403 95756 327816 61201 51871 86080 104090 57896 70959 58355 105947 69737 96677 81652 96677 77797 213743 86801 394715 134434 asparagylvaline NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 58979 67885 30338 111212 27590 60333 59123 7100 38952 278068 16216 29992 44927 0 90812 27632 36246 159700 59461 30651 33766 0 19269 62255 32605 10379 30825 113970 31670 63077 8066 11518 38475 85708 29614 45860 53129 66784 16455 0 0 65260 42606 33722 0 36262 26318 57730 0 59613 19325 24136 53144 0 515694 0 61518 12551 9067 17410 7749 15894 34278 52709 15080 9472 30751 33527 38815 57954 69734 60252 22558 11400 57148 53957 53674 64989 57255 9351 1074744 26486 12588 17314 34731 23477 21628 25171 49604 29883 61587 31894 37437 42900 78921 37421 108618 17108 108741 116352 aspartate 2141498.75 2614766 1042108.25 671969.25 886118.0625 1400381 1032061.6875 2060289.625 1966002 2735379 1700425.375 3033803 2529499 2908933.75 1351259.875 809086.4375 1375582.375 1899077.375 2364163.75 1462781.25 538334.125 654645.1875 1618593 1115362 779144.6875 870504.875 1904557 1387362.75 366411.4688 286295.7188 623784.625 153681.75 2645987.25 1045724.4375 1219779.625 2174115.25 1936505.125 1631690.75 1528007 1394372.625 135310.25 181167.0938 1091746 580100.875 385981.2188 1673564.5 613652.875 422531.7813 1449288.875 3211685.75 2207224.5 3303050 1010356.9375 1544974.625 2189313.5 1476273.5 2369671.75 332653.2813 1250318.75 2268424.75 1755426 1529836.25 2861450.75 2912192.75 2074177 617139.625 1737955.25 2217469.5 1621185.375 1660849.25 1463445.125 595568.875 1068658.625 7572484.5 3423942.75 1728469 1488983.375 744246.125 1215051.75 992154.5 1378479.375 1022808.4375 1776572.5 1593259.125 2843126 455406.2813 1440447.875 1560933.375 896953.875 638223.25 617353.5625 911310.3125 1462781.25 1199418.625 4588938 2647353 1236916 707982 29037 292707 436742 328713 281542 1713701 1457195 1304849 1192323 904903 126021 201517 1170991 224439 32239 1780142 1300388 104330 581610 329398 640240 1273023 49051 1227949 847593 821340 223221 1629302 83372 258652 848531 166261 142412 1005191 1363024 421273 110543 33044 405000 228191 790603 790603 575481 339525 195970 1280518 836664 1229384 1985611 237558 3578433 483245 3797898 462066 319531 916948 481310 1392355 365740 858865 208431 2171372 1532461 1295581 69067 952369 318513 831781 612880 906465 1423945 1550815 167522 482171 494282 1192596 1135697 722340 2065509 1196989 1255557 1012191 1035140 946644 1351759 862794 1133038 1046187 881812 415832 662429 537826 368905 702692 36221 3237816 1680611 494330 beta-hydroxyisovaleroylcarnitine 169269.3906 140403.3594 307929.9063 234647.5313 667107.1875 278026.4063 242964.8594 412854.1563 235522.2188 67926.1094 56910.3359 776631.6875 400778.7813 431718.125 181119.1094 144863.7656 170280.9219 976355 529594.25 599130.9375 385308.3125 320580.125 37480.7773 264814.1875 152124.8906 54259.9258 461006.1875 100745.2422 841658.3125 69747.9063 72817.2891 103216.4531 490614.375 113771.8203 95811.9844 149520.7813 172039.0781 617519.125 122623.7578 126567.6328 578358.125 959083.375 190900.5781 320176.7813 511007.5313 130851.9609 600148.5625 877632.0625 792455.8125 47355.7344 75411.7969 40852.457 47551.2188 417360.625 235084.875 93113.5625 105830.0703 115751.2813 0 55802.3945 34339.4727 40818.5273 90620.3359 126089.3047 1149847.75 175359.0625 663735.625 189908 63971.3867 89688.5234 238137.5938 555707.5 396320.6875 0 85744.2344 1568912.375 466674.375 1622641.25 402484.3125 553013.0625 475272.3438 480691.6875 257592.3906 353592.0625 0 247537.3281 240942.1563 0 204014.5938 166038.6094 133088.9844 235084.875 197127.9219 384986.3438 165552.0625 880738.25 473935 746393 346811 82399 1016527 153618 59825 251932 244648 459947 99416 1035064 291912 634930 91671 358287 1006001 809015 121377 3129493 546446 1230460 478286 1257710 1047363 952709 134079 118141 423677 107942 392188 378786 35390 873052 1801835 246377 66313 214418 491988 1659984 386390 870915 204606 192448 148597 196189 415561 76118 72643 60540 713904 702304 288359 69924 202397 1217459 1802647 291912 1008612 0 374198 850739 281939 45597 157028 887233 367815 109198 19449 97852 186359 191989 1041406 922187 99405 233127 232147 289471 823166 211074 621224 16188 419119 174438 231466 85883 82526 161058 208685 1050687 171201 291912 356579 471797 130084 249738 329147 305436 563493 544721 betaine 5085793 3850750.75 2266269.75 2145702.5 2553136.75 2807140 2239624.25 3421774.75 8102336 1872392.875 3658238.75 3982090.5 3014050.25 2582021.75 5029288 3682126.5 3184748.5 4389103 3319284.25 3467751.75 2677980.75 3044124.25 1847815.5 2267232.5 1599606.875 2764494.75 5816725 4704623 3785144.25 1801829.875 1751126.25 2625786.25 5536450 2727659.25 1404480.375 2660474.5 1668328.75 3141177.75 2379749.5 1825226 2824730.5 5304612 2953717.5 2432861 2402034.75 6155153.5 10126591 6511451 7844897 2347551.75 1877101.25 2256477 7889408 6654627.5 3868165.5 11848288 5774994.5 3102805 2718646.75 1877412.875 2594700.25 1567241.5 9383272 4529074 6403602.5 2051603.375 2366667 3124582.75 3266186.25 2608242.25 3771036.5 9282314 52760360 4456494 4742404.5 3284516.25 4277007.5 7033927 3831102.75 3939248.25 1973304.25 3101699.75 1983522.5 1749085.625 4332077 67202576 3284516.25 3444449.75 5948075 19582720 18102074 34747192 11393974 14884709 1099350.5 18546988 1067325 1127740 1177065 1402797 1312846 1098966 594467 4552433 2455757 475917 644582 793749 1834856 2396443 3102696 1947745 2652259 3154005 2272899 2688785 3167263 768169 1603662 1409913 3063314 3410560 1763058 613729 2589624 1304000 651832 1500348 548043 2705611 1976850 3610513 2681699 2427934 1837252 1589697 2848028 834037 2539169 761458 3172766 5732204 3848238 3440317 1303983 1405372 1955593 3165398 666123 471456 530287 1181386 5779718 3508594 4705778 384913 934637 1030606 672104 740810 888084 1185870 1814207 489646 1405372 1083735 1381902 4298980 3001411 1815098 3092661 1212104 1824817 1558412 1061342 1251222 1066969 1321288 483400 462910 4991302 415433 353516 692632 650777 1400831 1771779 3150216 842193 646317 1321851 1003081 1698646 2495007 519538 1762192 choline 59293380 55200268 50685872 60563736 55572772 66309600 61956796 82697072 63113352 81911256 81077808 78939552 62845188 63931248 64114828 49294088 57697868 64178240 56588844 70599312 70112656 66944440 83318048 71646384 57789032 70448056 64215376 66397936 53478748 58897060 61673720 47430164 77124736 65333888 66775644 66907284 64070420 62180320 52671672 53891580 40980424 44042340 69221032 48256116 47269960 47960472 50810424 49166300 54075828 65567568 59064664 68690112 62156424 57497188 66627876 35063700 38206624 43628084 61515444 65639860 59713272 57444036 63155580 67576664 77558240 52102136 63988624 74559968 62327552 67128512 63148372 58804360 65190756 80755144 75515336 76652264 58307420 72318088 62180320 55543624 70816824 59516612 67039832 74204864 55594636 27219324 56666536 76102864 57423836 58474788 48968852 65337432 50748548 59907920 60803772 71739328 19211618 18743820 13272893 16330042 26649016 21979788 12792570 13490624 28164274 17125962 16408538 17660474 12381613 21368954 31278362 16328721 16665918 22249310 21922724 17699624 24486132 26710818 29726562 22922986 20068438 30062204 20466446 25767306 13598046 27080978 17418652 16056670 22492858 16972236 21390462 24355796 23894474 14897778 17038304 18612618 25540802 19171040 17618516 17659322 29771500 20434992 10308219 13393198 25477226 14489269 15387954 18966782 27166026 23655962 21377394 20884582 17653602 16641359 24030586 23324614 32010544 24370054 14139463 28808950 20068438 33192162 10833294 14845800 15551608 16041101 24575194 25194234 26633316 19039240 11457209 16855750 22000744 22840378 20841320 13993615 16923116 25021412 28311970 26147954 18716726 17483750 17689788 25632580 29230934 19656496 22990676 23286490 17072590 17221694 18084380 16599986 20480380 27423792 23934564 18974062 choline phosphate 0 0 0 0 0 0 76765.6719 0 0 0 0 0 0 0 0 0 0 0 0 0 0 109139.4297 0 0 0 0 0 0 417423.3125 114927.8516 310518.375 355346.3125 0 108826.3281 89773.4922 98842.0938 244383.5 0 0 0 63016.582 113995.2656 280679.4688 0 0 0 0 0 0 0 72015.9688 0 0 0 0 0 0 440635.4063 0 0 168933.6875 0 215115.5625 213607.2188 0 0 0 0 205119.1719 169866.2813 84111.9688 194352.9063 0 0 0 141930.7656 0 68694.9922 0 0 0 0 0 0 0 0 0 0 253588.9063 54463.4609 0 309549.1563 58478.9609 53011.1602 0 0 45424 11376 9048 61647 186230 3770 61962 420109 46016 6035 151252 4288 72752 215752 10835 6953 39304 54993 55859 9750 0 0 17061 11870 52361 67338 145198 136337 277715 54993 69421 56901 85680 97770 90377 73221 42346 11598 8047 0 0 19645 21791 0 248356 78110 259157 10802 378477 11200 99582 460424 38179 0 0 128824 76092 65878 13260 0 143071 0 57179 23397 695212 39091 31568 15579 6849 0 33852 35503 482450 281109 7660 21632 144634 0 15187 142843 0 0 83492 54127 0 170947 193379 172696 174458 0 31049 28721 29665 64908 94512 19254 19414 0 15702 20654 citrulline 361996.875 662596.75 702946.4375 64015.8984 463690.875 150548.0625 398192.7813 153870.8125 171940.1406 125547.5781 0 72584.3672 886756.5625 857329.3125 0 290579.125 60039.3516 0 274676.75 0 0 0 0 0 0 0 553475.5625 70971.4688 1787709.625 1969739.75 10114810 457736.2188 50537.8398 0 122738.5 0 125283.8906 0 0 0 0 177301.875 0 69461.1875 160944.2031 13001545 918711.1875 938356.8125 4082601.5 640128.375 4194533.5 0 2137182.25 158615 251011.3281 826673.625 1067906.25 3443940.75 93560.1641 539208 0 92280.6484 271377.7813 457736.2188 0 121861.8281 120002.4922 214058.2813 573605.5625 345771.0313 114271.1094 675660.9375 0 2124456.5 5150086 0 0 0 0 78092.4219 208508.8906 0 89181.9922 0 685943.5 105775.5859 518188.8125 0 2860681 11589732 7726950 3844517 7158390 21848186 1467726.625 329770.625 272425 4522121 357967 4959033 3087500 778064 1469500 7468097 1584642 20928318 763653 403089 387506 56360 2291166 110029 242929 19644144 11981665 21870 216068 0 0 364495 136023 0 20759398 20116998 223484 3466240 22666 410797 500325 4043931 85484 17799726 321338 911527 327769 0 10497 1124983 1633245 130122 7817082 21485204 127061 8785486 1143756 11328824 976981 1143756 13814701 16266 4815868 1160771 339515 612279 65958 1861210 25555 268912 1492542 14551313 2888186 0 524581 8160604 591353 3966011 2828016 2793068 49819 83808 779823 782286 2349678 12260226 7578767 1296863 4975850 1459524 80258 146704 6191613 8693276 1209080 8572485 7231713 222294 11448708 2159637 1075778 652571 1735070 1143756 379243 306419 10843434 893979 coniferyl aldehyde 175976.8594 138341.9531 143897.4531 146118.7344 130090.5156 76324.2656 107114.9609 232626.6563 63467.7422 207087.0313 263934.8438 255354.6719 131187.9063 43149.3984 96186.9922 151975.8594 114910.1484 176440.4688 105958.0859 221605.2813 197773.3438 302971.375 138225.4688 174439.7344 107350.4297 111508.4063 124092.7344 133691.2031 291466.0938 247076.5938 208418.8594 1332192 59903.9297 87271.9922 195388.0625 201394.7188 154619.5156 93838.2969 65968.25 34684.4727 99740.9375 199307.9219 16778.1016 203627.875 88865.3906 117238.1953 106362.9297 296928.0625 192811.6875 62837.3516 124907.8203 131450.25 138225.4688 101437.375 79531.4063 105427.625 29096.082 219703.0156 51960.1641 117978.2656 207809.4219 263553.625 146684.8594 124464.0391 182278.9688 284311.6875 203438.6563 136408.5 76691.4844 414334.0938 73870.2188 123445.0078 197047.2656 99837.375 333188.75 128579.9609 143541.8594 246427.5781 191601.3281 242636.9688 77574.0469 136700.0625 117498.5703 153289.9531 51121.125 174245.1406 113367.5156 133355.8125 140042.4375 147030.3125 186997.3125 194784.6563 187501.9531 187201.625 36537.4219 109570.7813 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL cytidine 3254515.75 3512550 898252.1875 1771009.375 891108.5625 872563.625 1610901.625 977972.5 993791.3125 1542811 1454125.375 2489519.5 1864861 1988644.875 1711268.75 2334586.25 2738847.5 2002963.875 1896564.375 1713538.625 2834451.75 3808723.25 2209641 3672559.25 3333997 1898140.75 3533721.5 5038359 2335612.75 4149938.25 2034659.375 4224900.5 2292174.5 4125694.75 5001813 2714107 4281792 1640796.125 3086302.75 3483656.75 3441816 4470649 6228174.5 1505703.625 2205124.5 1043935.1875 2472913 3298114.75 3783196.75 1370853.375 2326572.5 2718582 2695799 1733820.5 2335099.5 2317374.75 1719901.75 845548.9375 1045627.625 2964999.25 3533720.5 2413133.75 3964571.25 3202503.5 5300284 2329064.75 3494801.25 3202889.25 1497663.625 1880497.75 2335099.5 3287122.25 1710666.125 913990.5625 1280995.125 4491098.5 3517214.75 5411758 3352494.25 2638750 1593085.125 925436.5 1210762.5 2485570.75 2112304.5 1872107 1667737.25 3333479.75 3247178.5 6399980 6936697 6473050 1217010.375 1456530.25 1209859.625 603114.75 350025 915244 165690 4129231 4561873 1359133 277582 235570 1887961 516690 209995 398547 1522213 5352779 1589961 463678 179032 288483 430061 478994 780039 3114575 6601744 1448807 83586 2646277 3813718 4419771 2412860 613552 7686703 27439 6227495 6232356 275182 1061757 1061056 77938 206016 1599529 2144645 4157586 490847 1208571 1073140 1681855 635462 146623 6449378 115293 4212218 1287446 2253273 1002864 3165012 3623587 2806038 70186 4223758 1456188 12866327 1577220 108354 162772 390317 4911926 905570 672245 2901975 1061757 894686 3145613 496612 361015 824417 61017 634564 1178606 1835144 338609 5232266 3120384 4979520 3551843 402395 390634 191339 66851 86474 1601244 1772015 1120649 207194 358698 574147 907978 5300622 2438303 1196073 286932 dimethylarginine (SDMA + ADMA) 421049.8438 405562.4063 223102.0313 153345.7969 190632.6563 313759.6563 410493.5 197171.3125 440923.8125 250889.875 154241.2969 162599.0156 487841.0938 495362.5625 84195.7813 159858.6094 158621.125 97930.1953 196632.8281 0 70809.0234 436031.5 154116.5469 184359.5313 119797.5469 0 181985.6719 185000.0469 200320.8906 140925 837002 144398.3438 205294.1406 208460.6094 132044.0469 193483.25 183969.4844 231859.5938 98073.2422 83920.2266 0 67488.1641 152711.5469 141009.8906 129578.8906 446786.1563 210287.4688 245445 341968.1875 554397 405819.9688 106072.4375 182108.5 190176.5313 210989.2344 551097 599153.875 394304.9375 191674.8438 179501.5 65692.7031 54771.7578 302285.8125 284069.5938 81409.6797 253821.2969 223779.6875 298035.125 254618.6406 116223.2656 118356.9688 244442.1563 50407.8281 732825.875 457422.125 82972.2891 71837.0938 0 80833.6484 82536.9141 125331.0703 0 0 149683.6875 545621.0625 430356.375 188510 188359.4688 511467.4375 1162710.625 1041378.3125 1752765.125 626217.5 800459.5625 415932.8438 372477.625 420582 651883 394071 649428 425082 361120 301186 630612 348555 1567127 34140 542384 568918 40584 581013 314817 61112 541236 656847 67389 108710 22690 127795 494065 78539 492755 806405 996909 256909 514564 25328 548917 228229 611747 112712 721665 209869 547182 510587 0 79529 1555569 282587 284275 650193 1015564 228133 597831 237394 659560 1133763 292393 999889 108057 1695237 47434 219449 362064 44882 184032 54338 192673 632113 745713 97552 76535 380359 924502 215191 425082 600436 768391 23873 27240 406285 338870 333785 722319 706589 527954 2966011 411267 137836 182918 1175577 518025 205880 1549006 996992 425082 667384 364649 533721 477948 509856 483379 1308718 234624 1130861 779305 epicatechin 605832.3125 1275550.75 0 0 0 0 16729.2793 0 0 0 0 18587.6484 0 0 0 0 9469.0283 0 0 41965.0352 0 90912.8516 0 27527.6328 38689.6211 18981.3164 0 0 241522.3438 500066.75 1104952.125 168417.625 0 67518.0781 151094.9063 0 21702.3066 21856.2129 0 0 22694.8516 157096.4063 57742.2383 44470.0234 136943 30938.7578 143325.8281 850145.75 41959.5664 0 105755.6328 11238.1729 103148.4766 33373.8984 0 0 31417.2832 67518.0781 0 16162.0254 80555.875 160448.25 0 0 0 0 0 141941.625 10143.7725 28549.5313 34401.6641 1312279.5 0 0 55098.0977 0 67518.0781 22524.9023 83045.0156 42397.6211 42770.3047 0 0 21434.0957 46841.7031 201192.9531 73831.4297 0 548090.25 1947591.125 4731301.5 921421.9375 534415.1875 1351733.875 0 0 13524 13555 106521 6974488 1437344 0 0 60438 12806 37254 28432 7782 16697 513186 28050 98771 28981 12766 29369 0 15026 119067 30204 7052 46402 21095 1210593 121559 93408 0 19226 0 241431 1874102 0 143825 8206 0 0 212443 0 132686 10447 3355 71644 4652904 0 5682 63156 0 66989 0 34562 1674 108731 276743 90431 31173 70023 34562 94418 17418 0 3500 79115 0 132101 269885 126890 6252 0 25291 77118 72979 0 0 15337 29885 0 0 282009 23172 0 3370 9470 2699 0 5142 1912 122937 404906 437648 4057 28787 37951 11036 154883 16479 5457 0 gamma-aminobutyrate (GABA) 17147142 18748170 17317722 12606315 20470496 11413231 14057786 10304623 18577974 12570240 2068026 6218026.5 15568635 15460163 8087964.5 13882621 12134004 7857038 14454714 6743958.5 629868.3125 3567201 4766978 1672814.625 2993006.75 835126.25 10546671 16197700 17263734 3985634.25 15366713 5956173 13138456 10074448 12757434 5911979 6777115 13637341 4027223 4704476 4473239.5 7441338.5 9828064 8804482 9828064 20680608 23279656 28924452 16767106 11036337 15508301 2062916.5 8156695 8712479 10739497 18997822 24996378 15164755 9401991 14712410 1239941.5 1937397.875 9581678 13767870 1280842.5 6628763.5 8647883 6619189 9614236 7054894 7790493.5 9464940 3767278 35020212 29594824 1125388.875 2541150 1758668 2442754 3294769.25 7560919.5 5148364 8357658 7131085 15529873 6171065.5 17169410 1276467.125 27827980 27944102 23377424 25463450 22718796 32734110 31807822 28293696 9834883 9069878 8950478 8428764 10324731 11644702 9439008 8556867 7974586 10371425 3347688 10255905 9439008 3034662 11100208 9447562 7059764 9657335 14363219 8731754 5133725 210692 1970170 9430455 8222147 597561 13113479 12677491 4381798 10529106 1226293 11985753 6941847 9082029 10008133 14805470 3584700 10269006 13083674 150486 1320911 12041459 12101946 6008589 8702641 9651442 10316625 13076630 5015974 10828614 12155425 10696619 16383577 3426199 18571076 1420540 10692333 9387434 1898834 5708978 2510869 4682971 10924579 16031238 4098472 882445 7451044 10320916 6204647 12133520 11782125 13981392 4839676 5472979 8528579 9740908 8666531 11527715 8780308 4494096 12046860 11902562 4086184 4416326 13995646 13195285 7517584 19506682 14776675 5892049 9248959 7253082 10289775 9946568 8783453 11016600 12798958 10667477 10657914 10522698 gamma-glutamyl-2-aminobutyrate 133411.25 57437.6836 19536.9336 0 39347.5898 12734.46 0 30462.7695 65719.375 0 0 26301.4121 37362044 27297996 0 74847.9844 25947.9102 121260.8828 26620.5762 0 25072.0859 340278.875 0 0 0 0 0 0 58975.8867 30516.4922 42090.3633 36858.3203 37262.4102 0 27934.9609 34894.6836 0 38958.0586 0 14059.5703 19132.8477 17426.4199 35015.2422 0 25672.2305 36858.3203 38838.0273 0 54365.7109 64548.3438 88122.9688 0 32914.5586 29685.9199 27860.4609 32964.8984 38368.0313 0 22571.1504 36858.3203 0 0 35981.8242 0 0 23120.2188 26124.8203 42709.4102 17461.1504 0 18187.9141 42315.7695 24662.2324 40436.7891 55113.9258 0 22606.3047 0 0 0 0 0 0 0 43587.4258 311663.4375 0 32306.2129 46446.1484 40748.8555 56784.0703 50660.125 34802.2891 37287.7422 30941.9395 62542.7852 101449 30032 38307 68244 92787 24463 76411 51601 89062 71449 28379 86854 46720 45850 47445 54901 41339 84857 71387 46799 22255 0 47323 15275 50375 28888 110785 102118 25174 102320 17975 21122 26881 59670 46363 83061 23710 44512 22295 0 17635 91550 94472 46304 58321 57312 82419 100541 34621 46074 69287 42417 84842 13191 0 23514 147464 56238 11640 17277 27311 88771 66266 19512 30105 0 52827 195520 76025 95397 39003 133950 53617 43657 37011 44017 62630 57671 71559 11932 0 41101 74550 25013 76658 116625 59952 24255 40551 197597 205795 73046 80819 74700 193601 67507 18251 49175 46374 48301 gamma-glutamylalanine 450895.1875 393724.7813 115515.2266 59981.668 84857.6484 93967.4609 149494.1563 132107.1563 143143.6094 99462.5703 105617.4844 214381.9063 2594889.5 1722176.375 183861 185768.3438 75816.4141 87867.5391 111934.6406 47643.7227 43745.5156 64542.5469 13329.1953 56624.293 18882.7188 28814.7305 125989.1172 48189.2227 80635.6953 53061.6602 129400.5859 25478.9609 110648.9609 119356.6094 51780.0742 133597.2969 136026.4844 144996.2656 69524.7578 55697.1992 16543.1035 29663.7598 18528.9629 26396.2578 30134.7051 157315.9844 23339.8203 27587.8809 720604.6875 839742.75 455589.75 75012.8125 53513.8711 110531.1016 87412.25 475309.3125 151533.2031 58381.8711 64939.0039 135107.2031 76111.3828 105298.3906 580625.875 625595.125 29151.1172 26452.5352 45081.3672 171348.6719 257421.4844 232411.4844 110964.9531 193135.2344 62200.8203 627082.5 1463971 44051.9883 133724.3438 46292.6172 127910.9141 125827.1094 79605.5703 17307.7969 77398.7031 47922.4609 544899.5 154810.1094 148035.9063 110766.8203 150631.1719 126715.9688 329579.75 110189.8594 110648.9609 120910.4219 144287.5938 1488976.625 183022 334182 12308 200694 684707 133312 261967 60826 470476 312677 39712 181088 37676 22979 347548 88445 407236 607519 248701 6458 51946 9171 64386 102694 1035510 63143 346505 215178 52133 1047911 33461 29794 154026 119459 271281 219824 433021 277408 13375 43188 195545 249044 262728 245351 184118 200694 81958 239369 94986 264725 233547 106883 962094 27248 133536 86536 144311 188231 25781 219019 31837 270576 170077 203284 224182 137006 83417 852516 129024 488693 374185 93320 96646 209776 111989 73606 425408 137952 372927 18878 267723 72791 264923 306043 140542 780476 261624 205843 440526 324510 327840 304095 283030 159840 146489 122703 297734 240262 236087 229824 gamma-glutamylglutamine 257538.4688 421803.5625 51340 180110.7031 180823.4531 530086.3125 529028.3125 351462.7813 598243.6875 543819.0625 106363.1016 257538.4688 1399415.5 1194576.5 372618.375 217478.1406 133817.375 211890.9688 679446.5 97685.3984 0 45655.3867 0 86338.1719 21018.1855 0 284551.625 94535.4766 111887.625 270927.0625 2936288.5 0 272585.1563 424234.875 225258.8281 185348.3125 164957.7969 951657.625 52807.2188 20249.8301 0 0 96227 45793.1641 0 1712529.75 131522.3281 207727.8906 3043068.25 781431.9375 806243.25 148816.4375 864281.3125 366544.4375 300833.0625 260778.4063 179810.2031 62685.1016 194034.9375 682536.5 61148.082 137474.6875 576814.625 888511.375 46299.2031 21557.3027 84266.6406 1070585.875 571113.625 242491.7969 88653.2266 81712.4766 73890.6875 2486481.25 3710343.75 52795.3359 150361.1875 0 175834 199361.1719 167652.8906 38112.7813 305973.4063 61529.5078 479985.5 262780.9688 497054.1875 50423.3789 4790021.5 3197548.75 631883.6875 1223488.375 1483330 4403779 1833291.375 1455021.375 652751 725468 603766 369050 1870998 420924 427285 198595 1488525 3848443 35317 1213617 716497 60640 528727 834665 75123 1694626 1946322 0 91904 0 30885 199886 234865 16596 7348902 6572965 309562 1840203 0 738009 493536 2126727 47495 1610977 693846 642492 504054 0 203999 253243 637631 216192 2592948 737239 89948 2777815 384799 2756164 3614699 1971565 2051768 0 345222 706662 140979 366369 54260 742113 105032 887381 2684233 282523 36396 79234 779664 1395171 79552 2238997 807441 978001 16534 3238 1374437 558069 533959 1782092 714981 114112 2065128 667871 532663 207602 494930 2250093 99681 1604351 410789 287986 4888970 1074863 1537940 669681 309532 1149482 598841 964758 2630046 826160 gamma-glutamylisoleucine* 24245.416 13066.5996 58789.6016 23597.791 26687.8418 63156.8477 28076.166 41305.5742 75029.6719 56200.6836 0 20349.5859 160366.25 115653.3203 22217.4922 29377.3555 18197.1738 13695.3564 25012.5664 20574.5977 0 16782 0 0 0 0 19035.5078 12829.4785 20310.2793 0 17411.6445 0 26619.6797 0 0 11460.998 7411.1045 53667.418 0 9392.4199 0 0 0 25850.2051 0 30307.9336 15247.79 20374.5352 41380.8867 39241.5078 32737.041 0 34127.4688 19411.1719 19008.2793 39589.5898 57842.3164 0 22427.2363 24992.3047 0 0 25092.4688 19965.668 0 20426.5879 42006.0547 26075.8574 21710.3457 0 11068.6328 9956.9297 12385.6602 57738.9414 80932.1172 0 0 0 8755.6367 0 25850.2051 0 24123.748 16160.9111 34486.8555 97136.9609 49530.9531 11383.2686 46630.0234 44534.2148 112557.625 31326.2734 37790.6211 111007.3047 77232.8281 126859.5313 76424 59726 22698 67827 184352 209068 25910 14741 54394 224650 5645 85843 36428 0 62825 88098 74066 72362 91919 9316 68939 8838 12027 62744 141106 6741 86344 119809 56750 182875 0 106032 34594 68223 26612 56199 29148 57984 92724 0 32228 34858 63947 42784 67111 114557 34310 255999 14736 243261 114333 56049 190757 18581 278443 15616 47753 75484 7719 68025 5276 81228 126187 164046 69334 13048 27609 111375 27549 161935 71071 72690 15479 9846 234947 122607 17271 79549 72273 3216 285442 70254 30702 30988 153784 212284 38916 127861 156432 47873 168344 88503 109055 91214 46259 58234 26510 115411 110262 47444 gamma-glutamylleucine 48238.668 30294.1289 117436.1094 58656.7344 90754.9297 133614.0313 83106.2031 119035.7578 201867.9844 158377.4844 38258.3398 52664.1289 282982.7188 467345.1563 63837.3164 48534.8398 46758.0391 44765.7305 83361.6875 45963.6953 19373.3945 44350.332 19011.5645 0 0 16003.9287 0 25848.2031 10249.6016 0 0 0 49352.1211 0 0 0 9492.9912 125852.4609 15625.0479 13153.2051 0 0 0 80538.0078 47552.3789 30700.8184 18180.082 39642.7813 46056.9883 55681.7852 40028.9492 0 51267.0352 25179.5371 38946.9336 49324.6328 89490.3359 0 47459.0898 40787.9258 0 13353.333 0 28360.7578 0 35287.4023 50849.2656 0 56093.7578 19472.5996 26434.6328 0 37480.3438 116684.6484 124179.0156 0 26119.4805 0 21064.0391 35634.7305 27976.5098 44422.625 56220.125 27484.125 83357.1875 250393.7813 91024.3672 0 26438.1777 31071.9492 49237.0547 0 37199.2305 85970.9766 219917.3906 178028.9219 104391 73929 27354 53655 288112 684967 49050 19070 70436 211236 0 162753 42951 0 86703 174424 186976 154493 95661 22407 150165 16909 13986 78940 209673 5063 56913 118017 45854 293405 0 242356 24131 37069 32627 51193 47335 93565 197130 0 79521 26828 114991 71259 31214 44246 56135 334426 11127 396413 126411 64309 288745 56231 594911 15312 49279 117296 14592 69198 0 154736 237757 370327 10553 22439 32305 105877 27273 222153 107765 79033 2391 0 465528 223982 25135 94904 91807 0 924011 145280 20936 58803 253667 82868 6701 330624 488789 69598 214825 76638 166951 178306 29258 98332 68997 213685 223025 93356 gamma-glutamylphenylalanine 117557.8281 138782.4531 455896.3438 283028.3438 561234.6875 614942.0625 325931.6563 413595.4063 405464.9688 481376.9688 91558.9609 98418.8047 696133.375 882698.375 187050.4375 291587.9375 175994.1719 75226.7031 150919.5 72558.7031 27037.6543 73799.4375 85516.4922 28002.0742 23117.4238 26261.5938 60736.3984 92699.0156 15923.7695 0 40539.8047 0 158516.9219 40887.7852 16971.6875 48228.9414 23659.8418 222712.875 143982.6719 130667.9453 0 8906.5771 0 292682.1875 254019 414646.2813 146933.0625 193731.375 369517.4375 156285.375 128359.2813 39362.3711 140724.75 109816.1641 130770.2578 241394.6563 417302.4063 32242.8008 211769.0781 110332.3672 0 52688.7148 94897.25 148454.2188 79942.2266 137954.4844 176689.7969 67896.1328 215920.4219 79103.2422 52649.2188 0 35449.375 595044.75 396394.375 29513.1816 69052.2422 0 74866.3125 77183.8516 118432.9531 101854.9766 95244.8438 112294.5313 312973.5625 137857.7344 263859.1563 0 51247.2227 152362.8906 294726.5625 44608.0664 130770.2578 263115.2188 360798.25 1015291.5625 889393 454733 159204 82465 1073024 1090223 424146 72760 191775 479862 14199 869337 307866 6052 407586 945702 227754 476701 333357 86223 457594 49853 34073 499006 378027 12617 127956 333357 364083 916580 0 900319 117459 98226 339230 161055 172151 601909 966114 7011 244843 102855 480349 358686 155000 273799 291973 1410129 34227 1096513 299639 110315 705741 185797 636142 33472 131529 856655 5497 297470 0 542176 652749 710682 44448 69609 111018 447602 88840 1267083 792883 163375 11648 16616 2252387 968466 256976 1403563 210057 6629 1010298 483192 87719 261592 850346 215762 45856 629650 602801 580964 431875 214192 422085 487338 196071 453806 347132 1098878 1940432 319581 gamma-glutamyltryptophan 0 0 24664.9941 29557.3574 88436.2422 32432.3105 18394.0859 37162.8906 65361.625 74056.125 0 0 65969.3516 97297.75 19065.1484 20790.5234 0 0 11084.2588 0 0 0 0 0 0 0 0 0 0 0 0 0 23465.625 9972.0986 0 0 0 0 0 0 0 0 0 0 0 9988.2354 0 0 22054.7246 14128.7676 20800.2988 0 15995.0791 0 9879.7256 9479.1191 29033.0879 0 14674.7432 11640.3711 0 0 0 8962.2314 0 16701.5078 23397.959 6389.4712 23186.9609 0 0 0 0 35393.0313 31134.3457 0 0 0 0 0 15859.0244 0 0 0 26276.418 15712.3926 43668.7461 0 8932.124 8226.9951 20790.5234 14319.3213 13922.7031 17467.7402 56936.2969 37344.5547 78894 24799 10710 35386 94854 207042 22716 7460 30302 32789 0 40820 15345 0 45480 38817 32641 43788 30719 5842 49543 0 0 49673 36220 0 52662 56214 20777 183651 0 24794 17772 15021 23396 26819 24031 26371 26844 0 61738 46403 29042 21720 19365 17064 25192 165573 11000 96802 35803 14385 133883 15552 79456 0 15723 49641 0 8720 0 94586 71075 162935 8664 2669 6764 27148 14900 233716 132069 71280 0 0 104893 44775 6199 45212 45727 0 180114 52234 0 50619 23771 4811 0 107431 144667 53234 71182 21233 40587 38247 36213 17784 25068 70264 59585 10193 gamma-glutamyltyrosine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 228744 228397 96406 32681 196793 407707 92804 22677 100729 114048 3531 129311 94958 0 109548 29876 80916 136603 153228 0 44714 0 0 229742 141739 0 66074 103263 175331 269891 0 358497 0 18419 29926 58395 56298 162784 264396 0 111181 15339 128861 53216 36002 18574 48759 857066 0 896439 77262 28009 798250 56287 95628 0 32427 212928 0 104255 0 172641 310165 218205 9565 33091 65462 279178 27343 416893 172762 62918 0 0 974315 430763 74356 170161 104255 8294 151102 151915 0 51751 77986 41547 16627 221021 264121 434841 139575 47392 144405 104255 32183 93226 119505 425139 431132 94765 gamma-glutamylvaline 91420.5625 61090.6992 61302.3477 0 31619.5215 89268.0938 45783.8594 64524.8984 95319.6484 64441.3047 21721.3906 21565.0078 168733.9688 133503.4531 0 56171.4141 23949.8457 25473.6016 39419.582 0 0 0 0 0 0 0 15912.5811 0 41866.5313 0 58021.7969 25824.1406 0 16767.9629 27404.7969 23811.8242 0 87853.0547 0 0 0 0 0 0 33879.5625 108400.3047 33674.6602 50472.9688 94515.4844 72596.4297 117197.5703 0 65421.9688 39399.1953 0 55964.0195 125672.2109 41116.6641 0 48252.0977 0 0 35129.8867 54633.8672 0 0 41601.7656 41127.1289 32965.8477 57501.5625 11376.125 36171.2383 0 110399.7656 227385.6875 0 0 0 18715.2832 0 31172.3965 0 36931.7344 0 84710.4141 76154.6328 78201.0391 0 99129.3984 68397.5703 200051.9375 54113.6328 100864.7813 300781 168498.5781 172459.1406 147575 108214 31367 107588 380896 269289 87181 22739 136958 334582 59153 138161 68332 29911 92057 106386 200284 115518 172895 5513 85564 0 11650 60477 407650 8001 213801 269701 89246 335121 0 100166 75314 117457 63335 162344 33044 111553 91362 0 51348 111553 81856 69248 118204 97619 82189 551650 52396 506025 261863 148532 274941 17907 238692 57540 112848 68204 0 79185 16002 115895 136645 166442 272029 12479 29127 209552 80060 183762 89401 141571 189021 337963 250932 110808 42009 176655 94516 7213 381105 84667 55506 53535 261737 498986 203271 205958 169723 81679 325255 153203 152291 115546 139958 100226 43979 132791 193140 59695 glutamate 656525.6875 1008215.8125 625150.6875 828603.0625 1370096.875 1059440.625 713083.5 3682712.5 2737482 2077862.5 926681.4375 1269944.5 5598344 4623918.5 1123397.75 1593590.5 810246.9375 1675773.5 2601279 565645 518102.5 681172.125 650953.5625 500061.0313 386146.3125 274205.1563 1903465.875 473692.6875 1308823.875 384575.2188 2363746.25 1518783.25 1270755.75 959842 643897.125 750252.125 861703.25 1495245.5 832518.8125 1168926.375 443440.625 490960.2188 1573032.75 607256.625 999926.375 2492883 330380.0625 791845.125 3493907.5 3068256.25 2145307.5 1849211.625 2695783.5 2935151.25 1773247.5 1953280.375 344173.625 1009641.25 1243824.5 1033700.6875 518468.5 784410.25 2521302.75 1710676 753026.375 985524.25 922323.375 1545830.625 2123377 1050247.75 1088719.625 870946.1875 690611 10291999 6610072 584430.9375 774441.9375 516296.9375 1500263.875 627125.75 1801677.25 685944.1875 1476488.25 456911.625 1847922.375 1009641.25 1068777.625 613885.4375 1904627.875 936157 302444.4688 340017.5625 651873.375 306385.3125 1077990.375 7692780 633537 82973 187051 497310 386057 503371 37660 348547 2007476 940140 74081 195734 401267 605913 277170 346964 188088 1028923 532740 229355 235058 204948 468786 261472 348547 449447 64876 739805 514466 1070822 235649 141488 479392 465080 2261044 431517 899804 148431 116790 324809 1447925 243206 105278 296163 2023370 272044 87453 233079 372736 174182 1087044 68614 226689 350130 403897 749103 169046 795337 265133 1489508 377892 3164706 149996 165284 72649 273078 388901 528403 215256 2171250 448160 168240 71500 106422 338836 339925 440672 626463 517770 110787 1345530 363396 805809 482851 279443 34024 103183 87212 243138 2159256 6647216 3341548 115907 94750 109473 155976 580833 530683 1157412 596167 glutamine 1284711 3136915.75 49597.9297 186099.9688 431967.7813 256646.1563 1012425.75 584017.75 2211337.5 2580056 154251.0156 845069.875 2421416.5 2131400.25 485208.5313 265563.2188 189296.7813 241195.6875 854223.4375 227442.4375 41750.4531 149050.4531 251617.6406 160201.9375 67924.0391 95800.5313 655920.875 200067.2031 630765.9375 1086578.375 21501084 1113153.125 1086936.125 2330822 1856685.25 216387.5313 879134.6875 1009266.625 63004.0508 135213.3906 97427.5781 369307.8125 322669.0313 103381.3828 151039.625 17023874 1145676.25 1108667.375 9718727 1508613.25 6021329 622459.5625 3025966.75 915124.5 567803.375 614153.25 354562.9375 6074301.5 470503.6875 1981207.25 721690.75 389594.1563 1218310.625 1512482.875 122323.4141 56864.3828 230140.0625 2881413.25 2408164.5 622459.5625 451211.7813 3724859.5 100457.9609 14809193 16214893 144033.4531 277129.25 120643.75 375772.2188 202335.875 604175.4375 86512.8984 370123.5938 90821.7109 1147772 842022.4375 329419.1563 261770.3281 11175803 18329502 11175022 10880788 23933818 48197528 5876912 1794163.125 2011265 2845875 3215063 10342470 9991990 1259957 4265944 9554846 4702258 12205095 6543942 2430434 3162730 377513 2968377 5178850 315129 9105482 4674580 24115 331066 64912 54128 219585 688364 216822 15421987 11158959 688958 2172043 141050 5294655 1181417 5103978 33562 12113428 2653405 2573680 2563557 19208 105250 4651339 2844482 152233 19185296 7309643 722938 10543913 2845875 10395471 14327477 15407647 9168111 26128 494539 2034335 800080 1375879 598653 1165698 689815 1680041 10079444 5495689 3113545 98213 9226432 4665305 661934 6137371 1371665 6904311 1771756 1975587 4139000 1240033 3686660 17709386 5529004 13087800 14641460 1202237 575330 447248 1668164 3862664 2108618 9725719 5010787 2223583 10697503 3128193 6844897 2689694 6312077 3259420 1057948 782127 8521392 7515528 glutamine-isoleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 23116 23250 10710 15450 12274 30523 26615 3884 10926 105745 31853 6180 31054 0 32541 0 18867 44758 13803 8549 7125 0 0 30429 11889 0 8512 37232 15685 20838 0 5076 11331 27830 6348 9791 0 24189 9810 0 0 14382 27817 0 0 7336 14961 16454 0 39207 5177 17929 35652 0 584524 0 16063 4365 0 5497 6293 0 9742 8647 20524 0 18165 5449 10974 13314 19744 31984 20472 6370 41461 14343 12182 31135 28812 8905 759468 3508 16673 0 7794 23572 11597 9465 9453 0 11165 9156 7862 8405 16510 7786 44244 10345 60278 34397 glutamine-leucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 90759 39401 45526 62227 35312 131243 66737 20017 25107 233058 103836 20615 78086 0 80573 5137 56866 134952 61173 108464 50719 14038 14208 57707 40023 10941 19676 116552 53735 47549 24379 12033 55970 104581 33731 29608 18964 106733 11388 0 9470 20804 59721 34214 31376 22584 37508 70413 4859 59006 20543 82612 103102 7101 1788468 0 46393 26682 21984 22199 29069 7382 29498 30619 91714 10732 77081 16210 33282 37941 91209 88267 99749 43466 106148 40835 49577 84140 113842 27214 2750254 12629 124947 29534 8716 73414 45818 26535 20936 12457 36752 39211 29107 34988 107041 40645 136412 26291 231353 135709 glutathione, oxidized (GSSG) 4447858 712848.75 282119.875 89359.1719 66115.6563 0 32727.4824 76678.5469 2518760.25 63940.6992 0 0 592244.1875 245729.1563 51411.4922 591719.5625 63899.793 150776.6563 275236.4688 0 0 0 0 0 0 0 270904.4688 65476.7539 15921146 51501.5352 1180785.375 328606.7813 266076.25 529798.9375 492114.8438 147820.3281 118747.6094 132768.9688 93703.9453 60584.5039 37122.6133 47677.3086 46414.6914 96514.7734 32919.1016 26941604 3738394 2602099.75 12178351 1130300.625 1413148.125 0 0 151583.375 238460.1563 6858880.5 1148052.5 8413417 124886.9766 282119.875 260177.5 0 324938 426446.75 0 0 43969.7305 48733.6836 289697.7813 644259.0625 289003.25 2933317.75 72793.0625 1796628.875 3055340.5 0 0 0 24081.0781 0 105482.0625 20255.2871 123823.4766 0 305558.5625 603486.875 267594.375 45816.3008 14193974 4646070 9889825 7799619 13067047 20894814 704536.125 2980376.25 8639309 31871838 49281964 30664940 14443612 15497348 48297520 61031972 2068895 14532480 5894136 7220404 39062704 195616 18733046 19507804 9620896 12687916 16984916 604565 3321110 17749 139630 16808774 14324366 20265 37010936 9107961 23604562 8584178 59339 35355048 7352491 20408276 10502588 19070742 112310 12876641 29057266 265276 82153 33995168 16285676 989580 37235876 34988376 45021300 12342750 475696 14962124 57697180 53050592 6082424 32676 1887717 97723 64941136 9214100 224468 199481 459935 600667 24861170 3437062 47076 63372 32874878 23040742 7251845 13038979 32966844 14547109 11634650 8197341 26689814 13518612 28715244 56075536 9853484 9075170 19944602 434425 393732 902301 16702535 7405117 54659528 39102824 16833028 8917789 5073929 7011607 8314669 9801344 71614632 11634650 47981220 2590060 10305869 9750688 glutathione, reduced (GSH) NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 100221 150622 214536 406905 33352 46235 4927054 91041016 9718 265146 19232062 53349 643314 0 100903 20670 22098 213061 165988 0 11713 0 0 142243 34061 0 227581 208792 128012 2533667 0 281645 39577 780347 32233 253098 40151 268551 142658 0 0 48882 57810 23274 582628 11838861 5482822 241501 54463 124924 9135481 31917126 149458 0 126146 0 149450 680318 15881 26917 0 0 1262165 85049 20312 0 21188314 163839 21684 127344 142658 183727 11844193 13188474 281194 123706 96844 100392 2454033 125758496 14226 8182 8306 11147 60055 31200954 41003020 970877 151694 41384 115274 660399 95140 116391 18165300 66377 121901 21721 142658 11591374 glycerophosphorylcholine (GPC) 465848.6563 597811.125 44467.6328 356955.4063 97225.1719 763571.875 2576436.75 962629.25 113786.2188 167208.3594 395838.9688 2105324 0 0 1366910.625 212798.6406 243304.5781 872566.4375 659037 805619.875 626865.5 850564.625 100888.7422 1305172.625 981728 826015 1537307.75 1060643.375 15468039 1448372.75 897428.0625 4878075.5 1265542.75 8669989 11348864 9421474 38707588 540411.3125 76398.6641 199523.6406 4627281.5 11570889 16950770 139410 289679.6563 0 218044.9531 368915.25 671087.875 1556297.625 9509600 859457.8125 134774.4063 809552.0625 819579.5625 922289.75 156213.2656 40959352 106564.6406 897428.0625 16408337 2810673 18843714 31589284 1246899.25 42143.0313 181388.2656 2505588.5 8360717 20696904 4241639.5 25177360 1416808.25 89816.6406 1277701 5947368 745626.75 5949410.5 1602398 742823.0625 1146746.5 603532.5 1066905.25 787681.5 574361.1875 5699542.5 755409.375 2896378.75 23301220 707104.125 209398.9688 15374999 0 107947.2891 125657.6641 1536326.75 36117 41174 129215 179589 3921744 0 22996 129215 94991 99675 9796323 39543 3806641 37393476 105545 0 23829 31919 24701 8340 76475 620124 610030 421520 21293 638327 5363427 4193888 14315155 6667163 2782338 40248 12369615 8446 0 27944 2144745 23073 31126 783735 381300 75289 4597 320987 4902654 13856058 44513 0 19772248 16504 15181751 26937876 382064 129215 80973 27669510 75027 128425 315961 1232200 2052911 124461 119909 34678 29423 1636093 761480 20922 218622 0 40414 501473 22115 8117 902741 201937 18649 22481 3187401 2592958 175106 28804 16535741 8928839 75170 7839593 111959 73906 105551 29899 277227 227443 51488 19698 20174 156981 1923866 390272 118483 35139 glycylleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 90894 29272 21241 180565 162496 87994 121273 21895 24043 205671 124017 13702 89374 9000 162123 8211 40621 119210 46775 22456 40062 13039 27320 43886 39503 18885 78491 189189 46241 40062 32175 6069 89132 103625 20703 52154 28164 62790 9860 0 0 36775 55247 37672 45839 61323 28233 40392 8485 38902 37584 82210 77876 6682 3316812 0 34538 22857 22535 23913 32177 9125 24618 30603 58123 15921 67943 0 32395 35795 42688 81351 98671 42387 86379 42899 68444 23394 102815 26753 7930382 27350 50198 35323 5939 66503 42173 20564 18241 16504 46021 41504 21168 24562 203023 28120 208768 16669 150508 103696 glycylphenylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 32191 21103 10599 91133 84744 46340 42505 9735 24849 178274 48945 6532 65604 8457 89828 4639 19635 86454 32013 9492 20436 5265 25369 32103 18132 5856 56755 128664 44210 25547 25222 2597 58626 73003 6272 30908 21590 25814 7453 0 4735 26144 28594 26226 28955 52217 13029 18946 25369 13423 35438 62263 56304 6999 2418762 16017 26184 8162 15873 25369 29342 12621 13353 20085 23365 9739 44524 3542 21259 26258 22920 43682 49375 23332 70268 25034 39879 23019 51308 18693 5197555 28354 69718 23501 8409 47662 24437 16230 11322 18988 36491 31186 12709 14903 107277 12861 156793 9270 79407 77122 glycylproline 106665.1094 74826.4063 0 33907.3711 54377.9531 48417.4141 25740.2617 45225.4102 172125.8125 62406.418 0 24843.7793 57954.1094 53063.2383 0 36419.5586 24377.3691 0 34581.3555 0 0 60025.4961 16185.4043 0 0 0 31530.6621 42800.0703 49563.0859 39136.4844 112644.0469 23518.0625 32362.2695 41377.5781 31867.3809 0 34699.2305 66063.9063 45225.4102 31721.748 34777.5625 45853.3008 84423.1797 120813.3984 102674.8438 71436.4375 74145.9531 100599.6484 90118.5078 29569.3555 52354.1016 0 0 12165.7373 0 82732.9063 85982.4531 24036.1113 0 19477.9199 0 0 39375.8438 45225.4102 0 33978.3008 39501.8906 0 9257.3672 0 35179.5664 43225.5313 13145.1914 39488.8906 55841.9414 0 15017.6543 12600.5703 0 0 0 0 0 0 48474.1914 815612.5625 21069.6797 0 71179.7734 115720.9531 179084.2344 148606.4531 63261.4063 119450.8438 56817.3398 36139.3477 44215 92616 50286 138334 107485 77269 57465 10447 38552 235361 61474 35435 53939 30538 81938 38131 83447 92922 55096 55355 36903 0 47365 80480 98826 41019 105169 114594 51803 34252 19690 16993 52077 125624 52897 69374 9602 101116 26798 0 0 107264 40711 55163 31866 100824 53882 38288 29407 36032 74928 68509 160632 22752 1270817 9522 83103 9542 24526 18062 14070 30510 35552 212416 112479 0 70421 42169 76440 75623 55039 116874 59661 41634 61595 45867 40097 80676 117541 16117 3621107 53629 21896 29944 21064 64991 49655 59323 80775 72621 110529 31429 29932 35357 109656 30451 163465 34919 123916 89025 glycylvaline NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 42009 17759 11572 50058 48971 26325 41153 0 13034 100390 25948 9644 26927 0 94645 4946 25686 60227 30765 6095 14864 0 12862 19906 29281 8591 23089 112974 6118 18798 10773 3319 24455 45315 15468 24164 10634 34973 5130 0 0 22258 25835 15998 0 24604 8540 18798 0 13737 14308 33925 28151 0 498390 0 15761 12739 5037 8131 0 0 17389 18109 21084 0 17300 0 18798 18112 20324 42366 33605 15271 32280 22020 30194 12781 54132 8565 1157157 9862 18550 11650 6785 25746 24230 12962 7837 6696 23993 18499 15547 14435 59309 18109 78677 6580 69246 64660 guanine 256598.8281 85572.3984 110479.8125 348062.9375 362571.5625 221186.75 306035.1563 104139.5469 518938.3438 290785.4063 0 66770.2344 198306.2813 171109.3125 172797.625 404249.5 539593 365921.75 141545.1875 97900.5313 67151.5 391842.2813 242055.6406 162396.5469 23429.6563 107896.7422 186622.8281 186622.8281 174535.7656 147371.8906 225226.9063 153168.125 436039.0938 42641.3203 25124.0547 204079.9688 35518.8086 33240.7383 27865.373 37792.293 47242.6992 101052.4297 48751.8789 67621.7813 63167.3984 230730.3594 220923.2969 2353554.75 241991.9375 186695.25 133672.2656 108241.8359 330366.75 160515.6094 10618808 1202103.875 1406244.125 69810.2969 120955.5391 356615.375 222359.8438 232459.7656 187615 186622.8281 37100.5195 605030.875 186919.0938 80298.6406 63754.2891 88737.8672 82742.3984 55464.3711 67723.6641 297622.0625 366332.7813 51685.2383 223804.6406 609241.125 230999.0156 367188.4063 137142.3125 54174.4414 73405.9375 44031.6719 221747.8906 1865079.25 193104.4688 86656.6641 175070.1094 735255.375 858054.6875 711254.125 89008.0391 368866.9375 253666.8906 249768.8281 706071 338217 265137 675611 407951 161079 109405 30245 554879 507994 7292 666547 499374 75421 1001109 1247379 17805 185431 277164 298621 490806 90513 9376483 298621 25428 90408 96309 868311 731023 347345 32826 433722 772748 383373 130413 95802 44900 779602 867583 67855 122845 767121 202273 229553 91782 371905 401385 687173 0 302798 702051 88626 2850761 88119 9640405 60756 359562 133064 182016 458332 608380 316321 266570 1332536 41141 0 248141 239885 346773 1370119 840395 510134 11643 9695 376885 397234 34597 188612 285250 0 7394376 298621 48316 27878 547988 23092 6443 242503 285671 295662 241128 677451 474910 382200 206059 287452 313172 683041 1609320 116727 guanosine 10426882 7638907.5 2668162.5 6584945.5 3792991.25 3149418.75 4526160.5 3339039.5 4842195.5 4304112 1804048.875 5982674 7789144.5 6723696.5 4047559.25 5200408.5 5254874 3110465 4820375 5271678.5 3222094.25 6106306 1824492.375 1878960.875 2646356.5 1005011.375 8433308 7106145.5 6338654 6744335 2904204.75 7127014.5 2292504.75 6503127.5 6319402.5 2426845 2720037.75 2281935.75 2323438.75 3090862 4384421.5 5426052 3844231.5 4222190.5 5948828.5 4171232.75 5932104.5 7602495 10170540 5184694.5 5768896.5 2927645.5 5738425 4832506 7226442.5 5448476 3875275 2479660 2355294.75 5312428 4808244 2332071.75 8851863 7271643 232349.4531 3133794.5 4050975.5 6494172 4820606 5191348.5 6436255.5 8203895 3813523.75 5546270.5 5970602 749015.5625 7189657 7006138 5485051 4820375 2799514.5 1775634 2174699.5 3475262 6635513.5 218736.1875 3993320.5 3871980 6150192.5 8000880 8850739 8948299 2343299 2560962.25 3788992.75 3973027 3903291 4137695 1654217 5016223 9753100 4915041 2564255 379249 10062784 11117131 403149 4365058 1572634 10646835 14867750 5005730 3444040 7182712 6107714 7070343 7016559 3495014 11773833 11136235 3024489 2829368 5695707 17807462 821858 9300133 8173424 2204092 18271230 8968489 7356650 4540474 8777104 5570824 2563934 1007467 3878502 13868721 3390377 7445892 2578837 3300521 3766261 756895 8566766 857366 9989431 3867990 2287982 3199754 1690165 7907953 7322169 990535 9380603 8651596 12005909 11197411 1501821 10755571 892217 2867591 1582631 2488319 8349126 8330784 10432074 13966549 783961 502551 1740262 2665501 3683069 5553019 11584028 822529 5577498 9165199 6419864 5627026 5026716 1453971 1047118 3816553 7628862 9496188 8322666 4596477 2620585 3239046 1985397 5016223 18435588 10392586 10335938 7836598 guanosine-2,3-cyclic monophosphate 120988.3828 150308.7344 267801.0938 295776.5938 65415.1172 328569.9688 536829.0625 44648.918 0 0 0 131135.5781 0 0 548908 506609.2813 1138060.125 86142.1797 88152.7344 60624.0156 68685.6797 241036.9531 0 45485.2852 0 150308.7344 321334.8125 43505.4766 114025.7344 30078.5137 42460.7148 85316.7734 57596.8398 0 0 69458.5703 0 0 0 0 0 45907.0547 0 0 0 23959.0762 0 0 0 852285.375 819692.625 129000.4609 116611.0234 95983.875 46357.8711 495551.0938 42532.8203 785284.5 25833.877 443061.3438 460676.0938 242298.1406 371796.75 562021.125 0 48312.7969 82660.875 153138.125 703938.75 1184211.875 732724.875 692281.3125 43396.6992 1194303.125 1114942.375 0 229167.8281 178481.4844 272081.875 270896.2813 36968.8945 20379.418 28372.457 122135.9688 626654.4375 0 43699.0508 448676.5938 109800.4063 0 0 0 347680.6875 183823.2344 36196.1641 1984151.375 157616 38129 77872 22130 205896 72347 155692 26878 412235 338451 41250 7362 79957 135369 143663 10818 70115 252310 46950 63256 284841 15100 53189 15878 138705 11101 239377 31092 146927 195799 51545 45595 58966 47390 41848 11757 609348 100066 15870 195508 125728 75270 173808 1493943 854141 115062 25269 78607 260065 113097 80149 91119 205002 41444 27978 343464 10151 35794 8510 1058166 147502 37106 29791 73196 27477 74141 39991 0 150368 58060 109089 64524 173626 66751 76743 27383 44250 60013 230389 239286 0 101478 120608 10659 31305 183652 87779 45304 67439 23359 230423 1509676 18651 9666 113936 73406 91394 305163 102800 296739 histidylisoleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 29394 40126 11761 37857 9507 32615 16478 2999 10801 306177 18167 18650 28908 0 75016 17400 17715 35683 21972 12438 9999 0 0 40186 14068 0 15063 57058 7660 32210 0 8183 9487 48219 3170 15832 0 30389 14320 0 0 43832 14452 7727 0 19386 17802 23279 0 19494 5837 20389 47645 0 324507 0 37788 4476 4370 0 5258 0 18633 14764 11829 0 22461 8134 22289 35813 26316 25920 17094 6442 27478 19099 9703 65903 48054 6967 677067 0 6024 0 13086 21088 14480 21169 11838 9006 10823 6618 18594 20349 29453 20214 41963 18616 127213 43598 histidylleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 221285 208046 100157 188941 68378 207383 176855 42199 43914 1637318 129134 81671 119922 0 248462 54033 86813 457631 115351 85652 99444 7787 15882 154869 80129 10326 46185 190626 35296 114198 18594 32831 69782 214109 40100 61556 44995 252098 49915 0 5422 139999 160798 98882 13047 43815 94071 222718 0 172756 31197 98007 189556 13550 1542070 0 131627 43366 32927 46357 13005 21391 121336 61333 57686 14765 142790 73293 92797 193830 208571 139496 90472 43831 160048 138908 99555 268258 241059 26191 3557344 25494 96181 28174 76590 123615 82987 70304 38878 47385 96772 89370 109309 121582 259413 137394 226245 107449 784279 334270 histidylphenylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 33839 34917 15629 27312 5188 48094 33143 5925 11889 575136 31653 18744 24747 0 46873 15462 13309 72905 26476 8969 17620 0 0 15575 11878 0 0 22173 9362 33998 0 8082 12891 26552 4847 18301 0 49015 9793 0 0 31836 12542 17395 0 0 20404 38257 0 28754 0 22407 22831 0 942886 0 30539 7730 0 0 0 0 30327 12786 20226 0 26577 10821 10345 25165 28753 19939 16565 5405 34967 32881 13666 62851 47668 8238 1791699 0 9661 0 16087 34438 22170 22173 11426 6864 11050 0 23712 26807 29366 22173 67041 13825 203205 94906 histidylvaline NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 78161 74629 21622 44769 0 43644 33293 0 17740 307495 16450 43695 15851 0 84568 34107 15619 76143 7855 32114 26012 0 0 51999 12940 0 15390 73913 6825 38807 0 18408 11880 49495 23411 0 0 68930 42060 0 0 87276 46771 21801 0 7838 27685 39333 0 25415 0 9786 40695 0 173178 0 60397 14142 0 8142 0 0 31908 23491 10444 0 21968 20550 34677 56312 57697 62582 10058 4649 23328 45510 18117 100014 64025 0 245356 0 0 0 33293 18117 8748 19084 13896 15210 35120 20234 39321 46390 26363 43861 73685 42909 139934 75654 Isobar: sorbitol, mannitol NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 3645217 2040486 8198697 513021 8738072 6073324 1450088 632914 3015235 1291927 717340 3004192 6242496 1746137 2905715 2815424 13427477 3283602 2231328 19209874 6993078 8563472 3119162 3500256 11539283 4819553 771122 1296989 6731927 2432282 9103961 5558390 937434 1313181 17738874 1448841 3219397 3885204 4107913 8506594 6381520 2307219 2855573 3347983 623046 3664162 2865193 3283602 1422852 4305910 3369047 1547730 3588526 7486623 12073956 1798063 2035823 7838284 3104143 2645035 2350080 3941457 3584447 6410702 326922 4367016 4717575 2088556 2957885 3973394 3627097 2075402 836009 950706 15685772 4246905 1570718 996658 2225668 1253853 11650065 4629451 2132099 3753982 3066947 763578 1719058 4950959 4463492 3716298 3781902 7070125 3149568 3127883 823142 4054899 5449878 4785371 1979764 3563312 isoferulate 261233.9688 263487.6563 1492609.375 1330767.75 862723.125 352920.4375 420832.4688 693294.8125 568673.8125 1095322 669528.5625 1454750.25 446836.4375 481245.4063 530641.25 728951.875 2053833.75 939369.5625 524669.9375 2446878.75 541551.25 1048598.875 494842.375 289640.6563 291426.0313 349855.5 374486.5938 652537.8125 137885.9063 419966.5938 268730 184086.0469 972306.375 429202.4688 1119556.75 1025310.375 901504.875 244308.2188 401971.375 91508.6953 244380.1563 333460.875 118497.7734 927932.75 380557.5625 343981.875 468816.4063 593570.0625 703586.0625 753925.625 615473.5625 467275.125 366053.1563 879801.75 445619.8125 411592.0625 421380.75 67955.6719 207915.0625 224650.5938 719574.125 984721.8125 396971.7188 311024.8125 544036.0625 337420.6875 268745.9375 1027405.4375 433937.25 894363.25 422201.5938 121696.9219 970441.6875 1504460 758333.125 266608.875 957234.5625 372545.0625 562917.9375 1073051.5 993458.1875 1841179.875 1435322.375 1535800.75 601806.875 83135.8438 424043.4688 520868.375 337700.1875 238023 337421 365983.25 544837.6875 494842.375 1239479.625 571451.8125 1304377 540988 2537765 602744 1733038 2665012 2165125 101919 1626183 1294824 299761 1980381 2194079 440694 1477817 881926 140566 1135322 1651974 102219 992926 1101096 564638 2756008 288951 1756434 1248579 951125 3984617 3119334 876127 1828001 269927 773484 562614 1212828 982206 1254367 1436671 297795 1640162 675420 629061 541331 571262 209831 605397 546900 353111 490768 697968 1376633 5869421 1375946 1062757 161864 857531 1202845 645492 1070887 503496 636586 3084720 1953553 66655 829552 1105306 1935764 613797 1852038 670485 2194521 47807 37571 425294 1385338 1460877 1279730 2831136 188267 1105782 1101096 1356163 4617764 707942 213616 622542 1562198 819461 585794 816974 1131305 2390893 2685717 1263151 2603211 1386897 4367493 2295513 2770245 isoleucine 4666789 2470532.5 4162022.75 1940833.25 3237312.5 2022334.25 1512347.625 3978736.75 9230176 5231948.5 2283162.5 2359382 8029389 6813149 1447189.875 2757511.5 2045258.5 1806014.5 2811180.25 1529928.375 1525655.875 1882632.5 2444917.5 1229272.5 784332 1339010.25 2092455.25 1594567.875 2610966 365121.6563 750218 654988.875 3339079.75 1278447.75 1065075.375 1791427.875 1664633.125 4600052 2751990 2359382 945528.75 1408920.875 2365388.25 5115772.5 3966613.25 4707305 2435601.5 3513409.75 3112238.25 2532217.75 2656727.5 892120.0625 1560922.875 2007412.625 2191508.25 5518909 6996557 1766612 2752446 2365508.25 689784.75 668046 3417097.75 2795665.25 1065790.875 2631572.5 4053829 2102663 1689042.5 1243794.125 2091734.375 3269729.5 1762485.5 5763202 6172439 892600.625 1075351.875 1086519.375 845893 1141971.5 1638839.625 975743.9375 1545383.25 1748092.875 3460649.5 3421929.5 3169143.75 1111903 3185938.5 4693527.5 6436910.5 4275986 5375177 6855131 7064724.5 7627849 3201466 5446464 1358182 3132805 5162129 6438598 2227947 2606440 2375033 12489204 1558143 4811349 2394225 620675 5205245 3971183 3273089 5952267 5404596 4604809 2562943 962715 1924400 4400843 4876620 856177 4047974 5488433 873194 4265766 627063 4202311 2794619 4057609 2339499 3824326 1660925 4493375 4646803 233999 867806 4745255 3949492 2551582 1942419 4716963 3071860 5568989 735922 5335980 4788821 2676700 6579853 1181801 18253790 584483 2985392 3136183 643187 1634896 597290 2269764 5988001 11332626 10911823 1348166 2408577 5190331 3679027 7308787 4508256 3824326 3225931 1836017 2886459 5433925 1357457 5262897 5607772 1333946 26306872 4871680 1399885 1901509 5259529 10957755 6409867 5729363 9011072 3677468 4547442 2425995 6257210 6114404 2432207 5086430 2647191 3500233 6432815 4793524 isoleucylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 6370 2649 0 6471 21818 11451 10635 8513 9921 61709 99478 0 16386 4170 4497 0 8253 0 9385 0 4804 8526 10275 0 6187 10450 0 0 21302 15511 3936 0 12009 5442 0 12073 0 0 0 0 5573 6235 0 0 6320 21096 0 13943 0 12801 6937 19036 17638 0 6830628 6049 6703 0 0 8145 10980 4057 0 0 25457 0 14755 0 0 5116 0 0 34909 10275 22390 3757 6883 15256 0 12096 5731743 0 24927 6321 0 24191 5446 0 0 4526 0 10629 0 0 9573 0 30077 0 16225 7978 isoleucylasparagine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 8348 7230 0 0 15884 11663 9228 0 0 54275 17064 0 19716 0 0 0 7208 18339 9727 0 0 0 0 0 0 0 0 9166 7479 3652 0 0 0 4718 0 7342 0 0 0 0 0 0 0 0 0 3249 0 8675 0 6156 4274 9991 30262 0 1178401 0 0 0 0 0 0 0 0 0 36604 0 9290 0 0 0 0 0 27251 3552 11158 0 1857 9003 0 3337 2143209 0 0 0 0 6965 3283 0 0 0 0 5843 0 0 9338 0 9453 0 12764 15415 isoleucylaspartate NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 29194 21276 14637 18015 18291 11628 16603 3515 6710 269542 23448 0 15483 0 53946 0 51317 144775 37760 11126 5390 0 15212 23551 56383 15538 0 39976 31713 30269 0 16197 0 16682 0 34607 16599 73845 12435 0 0 15071 22023 6997 0 28826 13856 31884 0 19754 0 28815 42001 0 3180719 0 6903 7310 0 0 0 5584 27144 21042 44678 0 9710 0 16295 18636 44691 8337 29591 10802 17355 26301 0 46185 63704 7661 4644631 0 6308 0 6970 36736 53830 30635 29154 4419 14466 4517 23941 10150 25088 21042 21042 5387 77102 96978 isoleucylglutamate NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 22855 0 7614 0 21528 11891 9371 0 11850 120672 11089 0 8935 0 27152 0 17545 79541 12969 0 0 0 11474 0 13706 6336 0 9063 19298 12390 7278 0 19540 0 0 13631 0 21536 0 0 0 0 8069 4594 0 11575 0 7708 0 9095 5504 12617 20787 0 1915338 0 0 0 0 0 0 0 15923 0 14565 0 10752 0 3773 0 19694 5604 16568 0 7969 11891 0 21764 0 0 3004676 0 4648 0 0 6508 9506 0 2688 0 0 0 13030 6593 10571 6104 16841 0 40818 40146 isoleucylglutamine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 14504 17125 0 39949 23944 19889 7362 4381 8045 244674 23787 2571 34764 6639 0 0 10219 22951 24726 2596 0 3852 21148 0 10358 13779 19039 21651 36355 21126 10415 0 107935 23799 0 28167 0 0 3808 0 3711 16419 7385 3341 8356 24073 0 12207 0 13897 10517 15675 47796 0 4400314 9961 7366 0 0 5440 8624 0 5392 7982 11356 12726 14957 0 0 11151 11209 13471 21997 5770 25181 13627 8509 34505 0 4203 3259358 7558 70755 10227 2919 8147 4792 16180 7680 8361 13043 0 9885 13360 13879 3056 52666 0 20809 13792 isoleucylglycine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 8501 0 0 11812 15863 8668 7083 9797 0 93255 66458 0 10701 0 19933 0 6004 13564 12716 0 0 0 0 0 0 12926 6303 14326 8430 11080 0 0 6056 10066 0 15977 0 4802 0 0 0 3311 0 0 16731 15708 0 8169 0 7493 0 11433 21356 0 2835088 0 2610 0 0 0 0 0 0 0 25270 0 14736 0 5142 0 3597 0 32124 21420 9128 0 0 15649 7608 44984 5153207 0 10912 0 0 14635 4260 1910 0 0 0 0 2614 4460 21622 0 20725 0 19017 7912 isoleucylisoleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 12646 8572 5909 0 6427 53250 7074 0 6472 0 4052 0 0 0 0 0 0 0 5584 0 0 13705 0 8793 6133 6373 0 0 0 4844 0 0 0 2226 0 0 3063 0 0 0 0 0 0 0 0 0 0 9027 7675 0 1734927 0 0 0 0 2583 17050 0 0 0 7074 4277 0 0 0 0 0 0 15794 0 6964 0 0 0 0 0 2842021 0 34801 0 0 11832 0 0 0 0 0 0 0 0 4136 0 20364 0 9491 5309 isoleucylleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 2355 5453 0 4978 23334 14120 9574 9248 20471 72466 45098 0 23259 0 0 0 19247 3387 7676 0 0 15843 15701 0 6280 31167 0 0 65561 10228 13899 0 10961 4194 0 0 0 0 0 6338 10341 0 4807 0 18702 11362 0 18617 6913 24255 3401 21228 19480 0 6534104 6783 0 0 11015 19626 48603 4530 0 0 21046 13634 17467 0 0 8396 4614 0 66661 5306 34218 4100 0 11111 0 12267 5683151 7725 111125 4987 0 7661 8529 0 0 4199 3286 11015 0 0 4054 0 31857 0 9421 9298 isoleucylphenylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 17666 8738 4506 0 7395 28152 11482 0 9049 2144 1493 2157 6042 4261 4100 2004 0 6683 13891 0 7616 6270 0 0 49399 8718 7418 0 9124 0 0 0 0 0 0 2548 8216 0 2547 0 4419 4959 0 15258 4437 18548 3959 4917 10026 0 3778223 4480 0 2206 6845 4842 15948 4326 0 0 7438 6975 4879 0 0 0 1867 1544 22961 0 8741 0 0 15376 0 0 4519889 2233 84016 2305 0 0 2528 0 0 3109 4439 3481 0 0 0 0 20574 0 5629 0 isoleucylserine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 10555 0 0 28982 12143 0 0 9476 72698 39069 0 7573 0 10450 0 14873 0 14574 3935 0 0 0 0 0 7185 20489 24029 20117 21115 12733 0 28948 22353 8878 24513 0 0 0 0 0 6797 0 9910 6006 27022 0 9283 0 5530 0 15078 0 0 2420577 0 6780 0 0 0 19598 0 0 0 28373 0 14275 0 9418 4373 0 20175 56802 0 13098 0 15059 14339 0 0 3631684 0 14809 0 0 0 0 0 4661 0 6616 3509 0 0 0 0 37178 0 22250 0 isoleucylthreonine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 13123 7983 0 9486 6642 13971 13647 2839 9794 98990 34332 0 27645 0 21183 0 16652 23471 11610 0 4354 0 4197 0 11610 37705 8717 26741 17910 18268 0 0 0 9047 0 9852 0 14076 5132 0 0 8028 12291 2965 0 22703 3631 12845 0 9195 0 14340 31070 0 3378234 0 0 0 0 3771 0 0 7124 5615 17237 0 14036 0 6628 10567 11844 9983 33960 6407 20898 8857 3625 20913 0 10330 3276995 5214 11823 0 3790 21578 11396 4509 4001 0 0 0 7652 8484 14356 7770 22666 0 20625 23893 isoleucyltyrosine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 8691 5689 2017 0 3047 26877 19584 0 5085 2801 0 0 5483 3710 0 0 2251 0 5085 0 4591 7024 0 2060 14536 5511 3935 0 8309 3221 0 2940 0 0 0 0 2770 0 0 0 0 9050 0 4660 0 6638 2171 4909 5640 0 2554802 1859 1956 0 5180 3725 7154 0 0 0 4897 0 3664 0 0 0 0 0 11553 0 9323 0 0 7212 0 0 2762598 0 51072 0 0 1905 0 0 0 0 2558 3259 0 0 2148 0 13789 0 6046 5260 isoleucylvaline NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 9871 3571 3844 6568 16261 18139 7892 0 27179 159948 25811 0 13909 4703 16126 0 12405 17241 14370 3749 6199 10564 14677 5190 7651 27063 4925 17027 25763 32821 9294 3067 13981 8143 0 11066 3701 6862 5288 6003 8677 8820 8633 10013 11036 7298 2490 8746 14180 10938 5083 23779 26070 10452 3660179 8679 2795 0 8543 25695 42257 7734 2959 6114 16172 10676 13624 0 6173 9626 13296 5776 26952 4496 27760 8173 7791 19284 8470 5621 3248068 7624 69940 7782 0 27444 9768 2809 4109 3692 6638 18652 4830 3623 9842 2713 46990 4601 15801 33345 isopentenyl adenosine 122481.3672 94905.3203 81474.2188 86280.3281 66204.8516 49084.8906 45877.1328 54625.2148 57539.8555 58133.7539 94381.0859 138772.1875 89144.75 61272.168 61791.2422 73988.2344 85922.6875 103574.3359 82311.3438 93598.5859 22284.9336 19889.3926 17289.0762 78181.1875 49546.418 14907.4521 39645.5391 32945.5 59538.2852 39019.2344 64442.2617 111672.3828 117672.1484 66240.4453 57994.5469 71765.1953 56633.9609 31134.6426 65136.6055 49083.5859 60235.6172 52761.0742 68144.7031 70482.9531 71650.7578 41372.0625 45701.3438 44848.0313 45882.9648 126187.4141 76130.1094 58853.3398 103400.4063 26225.25 0 55340.3125 44164.1719 27818.5664 67991.7578 71124.0703 133150.4375 60403.2539 108282.6016 85048.4219 71124.0703 18475.1504 13351.8584 91354.7656 78002.9141 86513.1172 72023.7969 115099.6797 117571.9063 152685.1719 133153.1719 70610.9922 104453.9219 134494.4375 91329.1016 59348.5313 0 92840.9844 93317.9297 82677.5469 86518.8594 56443.332 9587.6738 156206.5625 169248.2969 181394.2031 138317.0469 155877.9375 118283.9375 115366.7422 53727.2813 159272.1563 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL isovitexin 122111.2266 49882.3164 0 18683.6133 0 50299.7617 32355.7891 0 10065.7363 0 0 11722.3926 0 0 19128.4922 9204.7148 0 41830.6641 0 0 41009.6406 54942.6797 12578.9688 9238.3613 0 16455.0215 0 0 0 50156.707 19949.9453 10330.2227 28094.7813 14949.123 0 6990.6401 0 20309.2773 16409.7969 0 0 24872.8477 0 0 6736.5093 0 0 0 11708.4961 0 0 9339.7461 0 13475.5791 10766.8379 0 0 0 17277.9199 0 37807.0664 15669.6846 0 0 0 0 0 0 0 8870.2168 151750.6563 984018.8125 18149.2656 7791.6143 0 0 92216.4922 34577.7773 13782.9951 17885 8338.3066 6203.5322 9321.9287 15847.9385 0 21955.5625 0 0 0 0 0 0 0 0 0 0 3815 37199 14267 13469 6688 14510 0 5425 54880 0 3746 8220 8073 92189 31140 48187 58585 8370 27339 17082 8455 13844 68278 0 30667 9647 5223 112498 32428 5516 9951 0 16926 14157 13968 12684 5752 2658 0 84547 15207 30837 6703 22734 16613 11930 0 4190 0 0 0 0 13207 20107 0 13453 8996 10751 0 5352 16280 40928 0 0 22911 22858 14197 42849 8247 57185 0 11533 21732 34362 7980 16787 4682 0 0 0 15934 29315 14177 0 28770 0 0 2483 6006 37547 26643 6438 0 2199 3463 35073 13099 7086 18139 0 kynurenate 0 0 0 0 0 0 0 0 0 0 0 9061.7031 0 0 0 0 0 0 0 0 3847.6194 8565.6543 0 20913.8086 7855.4258 31182.6211 0 0 0 0 0 0 0 0 0 0 44231.3906 0 0 0 0 0 0 0 3879.3999 3810.5129 9779.6572 0 0 0 0 0 0 0 0 6641.4229 8210.54 0 0 0 0 0 0 0 0 0 0 0 0 0 4093.1611 0 0 0 0 0 0 0 0 0 0 0 0 0 0 101469.6016 0 0 0 0 0 0 4013.4167 0 0 0 0 102556 124606 48982 28026 119088 0 0 299540 0 0 17716 258209 0 0 0 30864 0 41836 70796 45213 21013 22456 0 21912 90635 2284 6272 175034 21461 0 0 0 0 25661 0 0 0 14736 5881 38950 79302 14973 0 4758 23580 0 10636 0 0 0 0 39627 25661 0 59728 18925 0 12053 0 96607 22804 3041 0 0 0 145342 9035 0 0 0 0 10451 24662 171407 0 0 216394 0 0 48971 38958 4954660 11735 19579 12829 0 0 22646 21697 69225 43260 5792 8907 0 30214 121864 0 25661 8917 kynurenine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1383429.625 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15013 46992 33376 40422 10601 38296 1591 0 47581 0 0 14535 26383 5202 17550 12311 4106 16513 31143 7547 19041 0 16463 34276 11659 173376 13575 26864 27268 26888 0 10927 11852 15167 6547 12205 0 6844 7851 25793 0 17426 7380 4317 3381 14924 7871 14712 0 10761 31490 13913 42101 4145 37049 0 9478 26610 0 0 0 16363 9261 50531 8539 0 10145 18330 11023 17697 14543 8791 3958 11913 14653 6987 0 25652 23099 3315 57829 14704 28564 0 33301 14594 7747 27193 54239 10303 29888 11648 8822 10693 6969 21073 5493 0 21218 14022 leu-leu-leu NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 107 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1031162 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8392 0 3298 0 0 0 0 0 0 0 0 0 0 0 0 0 4250 0 0 0 leucine 4140238 1891094.375 3308407.5 1964962.25 2799245 1469114.625 1094138.625 2987430.5 9172720 4096643.75 1308522.625 1697671.625 4271807.5 3306108.5 1261510.125 2403055.25 1747260.625 1446791.875 2416584.25 1249904.75 792189.0625 1223689 1646928.625 803669.6875 539062.5 865940.9375 1608671.25 1419063.125 1113546.375 418039.3438 459223.1563 615857.6875 3152221.5 1164855.125 978977.6875 1529462.375 1547126.375 4332815.5 1880511.5 1697671.625 870233.0625 1385862.375 2274286.75 5038079.5 4157133.75 3556095 2543004.25 3686534 2547354 1734433.375 1904406.625 475394.5 1232858.625 1176412.625 1642382.25 4041728 5307133.5 950152 2296286.5 2254180.5 421027.5 512571.875 1974223.875 1909910.125 637260.8125 2093990.375 3209845.5 1660909.75 1101987.75 911354 1564274 1835447.25 1360425.125 3942273.25 4398985.5 443903.9063 751331.5625 729469 592604.75 843556.5625 1150111.5 811724.4375 1327537.5 1399036.625 2392854.75 1974138.5 2478635.75 562016.3125 2160943 2816571.75 3627800.5 2451460.5 3077757 4164957.75 7076099.5 4143744.5 2524491 4869676 631448 1874967 3900158 5061104 1585645 737197 1846359 11600727 951136 4013577 1762831 573233 3470915 3027332 2030613 3821375 4150292 3215990 2092742 579610 1656315 4264018 2337958 332560 2407121 4171720 400677 2235626 437573 2975780 2184043 2281985 783471 2281985 784608 3870273 3635701 105616 441897 3480817 2730579 1799764 530280 1955307 2140839 4029092 407351 4023703 2891919 1490673 4784620 1004627 24835266 320304 1847700 1634739 483819 889197 460953 1528058 3007813 8798285 1866736 507900 1049026 2848627 2010066 4702525 2937694 2575566 922586 553844 1752708 3593606 783774 3698217 3693494 442869 42729452 4292185 1152234 1472200 3762174 2805174 1354831 4025978 7425130 2360486 3347537 1211598 3976004 3779979 1555306 3902508 2328345 3005893 7116424 3621499 leucylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 11130 0 0 0 0 0 8883 12880 2765 50043 47771 0 0 0 0 0 16631 0 0 6973 6167 0 0 0 5428 7074 0 0 0 6362 9418 0 13297 0 0 0 0 0 0 0 0 2513 5824 7533 8286 0 0 10781 0 24869 0 13997 0 0 2481899 2523 0 0 0 5683 23302 0 0 0 43220 12144 0 0 0 0 7888 0 75429 18477 2675 0 0 13553 0 5470 5224442 0 49347 0 0 8471 13091 0 0 0 0 0 0 0 0 0 17089 0 3640 0 leucylasparagine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 5931 0 0 0 0 8041 18579 4520 0 41828 27878 0 12654 0 0 0 9306 0 4612 0 0 0 0 0 7693 0 0 6241 0 0 6828 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15236 0 15915 33792 0 1335932 0 0 0 0 0 0 0 0 8634 56320 0 0 0 0 0 0 0 35005 0 11198 0 0 5998 0 2173 2977902 0 6303 0 0 9467 4853 0 1117 0 0 0 0 0 7204 0 5824 0 9899 8970 leucylglutamate NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 47982 14564 17125 12986 18468 15752 27093 7186 5605 166140 67313 8134 14491 0 25678 0 45445 101823 19439 15528 7874 0 10457 12461 55889 13461 0 12840 24823 15640 6955 11657 11682 10383 10239 14839 0 38494 7845 0 0 4451 15593 6384 7311 11319 9499 21128 0 20652 0 27588 22956 4212 3656464 0 6552 10155 0 7410 21475 0 40416 10553 45439 7161 16164 0 4063 11389 35678 6046 41576 9605 24861 43191 5243 32098 23719 19823 4728236 0 12551 9028 3730 27413 41853 20115 8540 0 0 7660 22842 15687 22083 17907 16341 0 63013 86561 leucylglycine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 14129 0 5022 0 9093 4033 13637 16560 0 64883 86931 0 8896 0 16159 0 9840 15138 9553 0 5383 0 0 3848 8676 4613 0 12177 0 9976 0 0 0 10881 0 7425 0 13639 0 0 0 0 0 3702 5119 17039 6756 9964 0 11926 0 16150 22284 0 3656042 0 2730 0 0 2839 7907 0 10368 4758 48445 0 18021 0 0 0 0 8868 40024 17963 15510 4534 0 9902 10104 16370 6422525 0 6914 0 2499 26761 10794 0 3403 0 0 3177 0 4974 13634 8002 10232 0 27080 16632 leucylleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 10387 0 0 3345 28322 18992 12919 12672 17676 77479 58426 0 11826 4129 7512 0 19856 6800 3347 3216 0 31699 28742 1694 14107 34963 3703 0 50178 10640 19478 0 11662 5923 0 4025 0 6829 0 9594 15578 2357 4519 3430 28790 11822 3607 19103 20431 33125 11421 21016 25076 5429 5084739 8520 2444 0 14038 15053 73703 8382 5009 0 35868 16403 13157 0 7040 9794 0 3558 85176 11672 23276 4631 0 12790 0 7940 5405545 11626 242346 5920 0 17334 14764 2099 0 4472 2355 10708 0 0 6781 0 29175 2198 11749 13268 leucylmethionine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 13281 10968 8503 17291 44485 8448 11521 5440 12507 48037 12580 7745 6903 5676 15301 10976 0 64304 13330 2784 12833 15384 12922 27554 3811 130421 6381 19272 0 7604 12363 4696 11413 11826 39492 11826 9169 16817 5030 6203 6258 3283 9245 8689 7283 21661 2433 0 15564 0 7050 15031 16264 11492 855060 12843 5567 16561 15148 6494 14146 14960 13189 2716 0 10844 0 9941 5388 6171 16301 6699 0 2719 5110 15066 24796 19502 23862 13323 2648789 6765 12737 4700 13557 3427 6055 4371 7590 8277 12160 13877 12894 17830 24003 6298 9132 0 36919 77577 leucylphenylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 18150 3079 2690 8205 2546 21937 37247 0 1731 0 0 0 0 0 0 0 0 8489 11248 0 2569 10949 0 0 13004 2282 3622 0 3284 0 0 2547 0 0 0 0 0 0 0 0 0 0 0 5867 750 17442 0 5111 6329 0 2294088 0 0 0 5013 0 21869 0 0 0 16792 0 3064 0 0 0 0 0 25126 5867 8060 0 0 5170 0 7402 2926152 0 131827 3155 0 5182 0 0 0 2630 0 5085 0 0 0 0 6551 0 3916 0 leucylproline NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 27040 15156 16988 99956 119586 44212 27318 12529 29621 311109 43479 9869 63047 32058 14110 13456 11829 118228 26555 12870 22556 31395 29397 40525 0 56928 68444 70509 32420 7079 24775 12881 27062 107496 22106 26848 9200 48090 15580 6231 5362 54557 10098 26569 12702 39541 18040 31847 32925 0 72965 42299 151497 7451 4170566 14672 17988 5251 50169 5961 22839 10261 22781 168067 95260 11619 45415 8525 64734 68982 24754 17949 31981 12837 86744 27094 33389 20213 34120 17011 13640137 31940 33512 24410 14979 74087 77043 26840 31251 43581 79174 9345 13641 5667 46295 33311 86582 17947 146938 152351 leucylserine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 12857 0 0 0 0 8792 11535 6863 4042 60346 71075 2519 16775 0 0 0 9004 10091 5552 0 4540 0 0 0 9554 0 0 14298 28423 7762 7412 3492 9975 7016 3757 0 0 6183 3918 0 0 4618 6079 0 0 5733 0 9766 0 12098 0 14125 18372 0 3284209 0 0 0 0 0 22288 0 0 4704 20529 0 17630 0 0 7614 8994 0 35623 9835 18775 3741 3012 12457 0 8869 2992805 0 11651 0 4371 18243 9279 0 2094 0 0 0 5073 6463 0 3698 15434 0 17130 13669 leucylthreonine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 6814 0 0 0 0 6517 10019 3485 0 32952 30187 0 8485 4476 5988 0 6526 0 4240 5630 2881 6800 7595 0 5755 6651 0 7939 12213 5793 4755 0 8888 6666 0 0 0 0 0 0 0 2706 0 2328 8019 3058 5182 7841 6894 8366 0 22603 8644 0 1672905 0 2145 0 0 0 22320 0 3832 0 16116 4252 7650 0 0 0 0 0 18818 0 12739 2479 1985 6472 4895 6533 1980028 0 20584 0 3513 10107 8371 2529 0 0 0 4345 3655 2828 8209 3082 7194 3295 9051 6784 leucyltryptophan NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 0 0 0 0 0 16275 17219 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7472 0 0 1535668 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11874 0 0 0 0 0 0 0 11874 0 3758 0 0 0 0 0 0 0 0 0 0 0 0 0 7075 0 0 0 leucyltyrosine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 2784 0 0 0 0 5169 2638 11506 3600 12857 15511 0 0 0 0 0 6039 0 0 0 0 0 4512 0 5169 3780 0 0 8451 0 0 0 0 0 0 4017 4353 0 0 0 0 0 0 0 0 0 0 0 0 6618 0 0 4802 0 1642164 0 0 0 0 5103 7228 0 0 0 7112 2931 3184 0 0 0 0 0 12065 6470 4321 0 0 0 0 5234 1884351 0 54208 0 2074 0 0 0 0 0 0 3248 0 0 0 0 9895 0 0 3315 loganate 78637.75 50278.2695 46083.2578 91344.0938 59887.9727 26539.9551 32381.4238 34760.5859 60228.7695 58808.8359 39728.9609 44136.25 19924.4512 16862.4902 41247.1758 54715.2891 50519.1328 34779.8984 35026.7695 50653.0547 53168.6914 70768.3359 63079.3789 36292.1758 25623.1328 29063.707 38450.8008 44974.3555 54286.375 56319.0352 61600.6719 71311.0078 32842.9688 53081.3633 45433.0898 56015.6211 54453.668 21493.7578 22022.0371 18387.9336 36091.5781 25082.2871 14847.8965 52800.1367 51662.2578 51558.7734 45030.6367 40058.918 81412.8359 36325.7852 39965.8672 34064.8555 47951.8477 44108.8203 30678.2578 37330.4531 33055.5742 52798.2617 37716.2422 41850.5625 41018.332 37380.418 37471.0039 38291.3867 34132.6367 36975.3203 42978.6094 29596.1426 35322.9258 60474.7773 32035.9922 56504.5898 33813.8672 59999.9102 62370.8906 36007.5273 44580.3477 76047.6875 38339.2852 42563.5781 39221.8047 42563.5781 47419.7422 61399.6367 37274.2188 27976.7207 34857.2891 28157.3438 53123.8164 42621.9609 78066.6797 54502.7539 53148.8789 91200.5547 33026.0586 65791.8828 45965 78199 95323 39266 43676 153836 41297 0 105500 33761 38880 72710 74155 42907 30410 51629 39103 84042 54432 77808 126260 74256 56160 73188 59793 65535 25349 53232 153555 116129 32671 41191 47386 27487 105505 41928 48986 41115 46550 11142 69850 39209 141165 41832 18204 17290 34716 98310 19325 92662 6769 80664 101753 51032 60651 20799 77708 96408 66783 63779 97071 23086 52162 84612 33596 56567 39988 35664 55296 52631 104415 130043 39177 13221 90504 142113 54192 31243 49028 11400 66845 55213 99533 66127 56400 77256 71520 53218 69890 44727 52184 82555 75066 105780 41923 79095 104655 60624 72316 28492 luteolin-7-O-glucoside 117607.4844 52858.0586 0 0 0 27421.2578 26485.4609 0 27302.0039 30621.4707 0 476666.0938 0 13082.1016 146114.6563 0 0 0 13857.7129 33091.8008 377689.4688 429957.2188 12024.2275 139033.3594 0 0 0 17751.0547 89769.1406 198720.375 118420.0625 36954.8555 0 30152.7598 20385.5215 0 0 41773.8125 29977.3809 0 0 59439.7031 92958.1563 28160.375 152881.2813 100017.3516 42588.6875 432080.6563 73868.9375 34537.668 54236.082 20205.6563 44906.4609 0 13473.5674 0 0 24235.3594 44906.4609 0 71665.0703 12541.5439 20237.3398 0 0 0 8820.1045 0 28251.668 12069.6406 141182.5938 8076052 14802.9482 11145.5137 137045.9688 27298.6953 1821349.875 909773.5 53342.1758 18239.5098 0 0 4874.647 0 34801.8008 92085.375 0 33971.3086 267988 433266.8125 173572.2656 221264.625 247616.2344 48441.9297 0 157901.875 7023 57442 222111 315666 79015 18906 0 10239 101341 1785 0 5798 15544 695247 68506 242236 7105 7713 370515 15310 20341 170422 103530 0 4475 26143 265454 680230 1273160 46998 3322 0 79015 199888 58056 503209 105846 21311 0 1576104 1317 64750 203375 0 34859 542471 5862 7920 4699 0 0 1293 0 1691 0 45402 95317 14133 32295 98257 25128 3639 0 9704 11869 10075 70505 429223 84607 9677 20489 10090 0 38447 0 9688 10127 3654 0 1876 185575 6547 1693 0 101414 1112 0 6655 27768 50528 39801 36822 0 0 83690 780773 52597 4069 17156 0 lysine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 189703 275215 125048 544808 130774 269415 198067 46689 17822 938183 106240 184512 65222 0 230300 185325 90258 221407 327184 120365 39838 0 5886 212962 78001 14145 470610 558851 20126 323819 0 302319 40847 401915 35502 543243 6894 249982 250378 0 0 587449 236668 60939 179525 232836 367153 399952 29525 363487 270066 144159 491288 0 2136435 0 261404 100910 0 0 3519 15223 314467 722607 51545 0 83535 349326 219811 456002 186627 367260 29401 31991 107542 227461 62606 551965 271993 47827 2574900 55738 9701 38612 352796 193885 136210 742529 932519 115030 181548 17094 283847 193885 233467 148545 170022 124338 262240 249831 mevalonolactone 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1881306.5 0 0 0 0 0 0 0 0 0 0 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL N-acetyl-1-methylhistidine* 71785.8906 65596.9063 0 43341.2109 34557.1094 13653.957 30177.168 24264.873 0 0 65906.4844 79586.9375 15807.2344 36695.6953 109302.0234 0 0 32860.0625 0 0 65793.3906 74041.4453 30690.543 59014.2344 57487.5859 58828.332 30148.043 59651.4297 91395.1953 0 52704.8633 89493.8203 93631.1953 36062.9531 42269.8086 0 27601.3262 94287.0859 57487.5859 52869.6719 13314.8633 0 85194.375 25566.5469 33433.4258 164264.625 87106.625 135232.5781 82378.5234 0 0 0 83918.2344 78939.7109 53383.5391 0 20944.6582 0 0 80113.8359 23893.2168 0 32721.0898 40402.1836 0 0 0 303862.0938 0 33171.8477 46472.2578 51044.8047 45090.8906 0 40448.2539 29179.4492 25461.0625 77980.3281 31724.2266 31176.4492 56106.207 0 0 82392.3516 0 168090.625 58868.9648 0 61991.0508 135221.3906 138828.7031 116921.25 217171.4375 177232.3438 230252.125 26658.7539 170772 344017 330478 324058 576949 77783 177857 102635 81127 140669 110296 638251 149961 53479 206180 177325 161691 89335 350778 194721 89137 209420 104780 60078 282816 95941 77484 102059 257018 20398 20412 297263 65875 314720 506927 308811 43265 242769 331619 78888 106140 627202 286094 8987 253811 211598 143999 54986 36150 43334 78278 718748 101296 52980 272051 31558 211929 85619 126162 91920 33063 91007 499766 213129 171023 28927 340355 198845 56713 110103 83585 38611 284065 201608 96731 166238 144776 195163 92344 175306 170811 170772 77874 33996 220717 308459 248149 129606 196267 104227 286715 432158 563571 781083 247263 597186 705482 84181 714873 265839 N-acetyl-3-methylhistidine* 1470764 1222172.25 170452.8594 472976.6563 291535.25 209232.5938 368864.875 217071.6094 89783.3594 92024.2266 336741.0625 699317.8125 313375.3125 359868.0313 548755.75 31288.9512 101826.5938 151767.75 138609.5313 244171.4375 264916.625 298133.0313 140422.5 470584.3125 493654.25 463367.7813 755846.8125 742685 883874.4375 622175.5 1164931 855552.75 1378964.75 163210.9688 155575.5156 191196.3125 233285.5469 247880.2188 441785.7813 274624.875 213149.4844 215454.875 364489.3125 139398.7969 134035.8906 557843.75 639920.125 883581.8125 835349.8125 220276.6875 533780.9375 117286.9297 791723.6875 595257.1875 1063890.75 188752.0625 298133.0313 396556.5313 112033.0781 557815 281834.75 173394.1719 282890.6875 326575.6563 61753.5195 41609.875 51721.5664 548211.5625 151333.4063 195073.75 1317076.25 1035988.375 322263.8438 125720.0547 298037.4375 115611.9141 268658.5 259841.8125 326691.0313 205546.8125 541412.875 83242.8672 133579.8906 641861.625 209243.0313 3832785.25 484300.5625 206630.0313 601334.25 1464320.75 1609551.25 1841703 1330191.25 2288704.25 271578.0938 197921.7031 870818 1425638 1842683 2541788 5046980 1783498 1245927 1377912 381185 2179763 1651396 1114079 543487 1072751 1133266 1495725 1753081 1003361 811134 739254 421241 778893 1041945 1959485 2367283 1717228 1049816 1610806 934975 260175 382218 1712375 835636 2484520 1886161 1009707 617681 1273045 1663398 567309 576401 1902375 405087 95752 2186058 2208814 1593453 1133266 601361 598945 3220408 1544372 666672 221133 765379 535637 1865682 1607002 2024666 461146 681316 288716 2164429 1225443 7355769 143016 1988369 912843 319047 1037631 414968 439839 7472069 4493773 324228 607543 1179761 750382 3064001 1678031 1016173 1562252 735093 398698 692336 4236537 2394009 1180565 1086770 569208 473929 1438277 1731978 2176974 2487798 668252 3523470 558880 2372988 2054838 N-acetylalanine 316200.7188 220653.5 144434.9688 99670.1563 159019.4063 63983.0195 60997.3555 205240.4375 185449.9063 129551.2891 289586.6563 218202.4688 318074.8438 218481.3281 250460.9688 161032.5 129879.5391 113764.6172 64644.3828 151196.2031 279470.375 185650.2188 92238.2422 208565.5156 129146.9063 150825.75 185850.5313 99432.8672 609099.125 527296.0625 367893.5938 164781.2344 309680.5938 289212.875 259070.75 186121.9688 144866.0938 139052.1406 147438.4375 158070.3281 141049.0313 194176.0313 280831.7813 68542.875 103496.9141 78425.875 71519.1797 81538.2813 167609.25 313440.0313 316516.375 233835.7344 81925.8047 127599.3906 149920.4219 149392.0625 185650.2188 460645.5 149347.8125 113836.4531 224684.8906 259630.0938 265834.4375 243365.5625 155491.9219 106190.7031 170589.25 243385.5781 208831.7344 367962.25 334899.0313 496878.0313 106186 209425.5781 378590.7188 185900.75 152664.2188 273367.75 189881.2656 226931.0938 190575.125 63651.5547 101423.4688 158981.8438 158759.7969 898370.9375 137891.5313 295018.1875 706912.5625 428780.8125 232012.7969 438743.2813 153490.4531 123987.7891 110099.4844 595324.1875 68726 176817 17863 251924 153142 82265 57087 0 177914 290768 13937 41581 70258 618309 176249 12237 81429 154863 271135 72281 63021 123833 269027 94282 153604 144519 595043 335877 45925 166846 176434 14854 232460 279341 123075 389923 303668 92830 24724 128195 231073 395385 43043 113086 292607 600841 75912 172213 502842 77320 589917 179974 372630 123347 420933 241399 147144 53890 122317 123075 451075 148749 29901 199495 56122 216416 46265 103930 66652 74669 66614 125661 11871 16074 61283 29069 58504 34917 160191 0 496929 100069 210561 237745 55632 27078 27271 46391 166142 230233 117531 132161 51538 47124 115655 65824 117353 153675 95718 81326 N-acetylarginine 5121109 4965048 2226870 1518122.875 2643805.25 4432015 2684990 5262112 4639303.5 3521804 1122664.75 1493117.5 4449900.5 4950580 3336493.5 2820344 1916347.125 1413836.5 1249573.375 1669730.5 1502394.75 2256402.75 1023679.3125 3013707.75 1721978.75 1484219.625 2807864 901847.6875 7245741.5 5974724 4514879.5 3478585.5 3752599.25 6798692.5 6132000 2417577.25 1882698 2799206 539368.6875 521142.7813 944573.375 1613295.5 3297108.5 812333.3125 777478 4748772.5 2376694.75 2533608.25 2790548.25 7011275 8082307 3168029.5 4668307.5 4413617.5 3889057.25 1836860 1675617 7636031.5 4030559.25 2214467.75 1395346.625 4455920.5 1815177.25 1673376.75 290186.4063 2799206 2340719 5206188.5 5845809.5 4062180 3063007.75 2592379.5 911818.5625 7796399 6228827 572904.875 1880451.875 1082454 2374525.75 3227951.75 5081135.5 1535565.875 2666811 2890532 4688177.5 4790860 4392415.5 2364089.25 11695706 5186345 1251442.25 8181802.5 1627659.5 839486.875 3733999 5919472 2214578 3791969 1731803 7980802 1725199 3247908 796169 50992 1914341 1970157 13771 1445808 2229174 5412020 7483286 1107278 481364 8300625 7977785 1240458 2062243 1268764 1438787 2657991 590148 1242285 16248969 21239066 901088 9074750 1183153 837918 2591235 8360039 870228 6069685 5777936 1746387 862168 499115 2648740 12103074 2470987 1819583 5554243 2687517 397654 3965068 10435432 4360661 7831250 1449473 8299400 2488192 1679412 7821399 907489 2229174 987198 3757492 5845635 5761777 1272440 8579347 69570 2033925 873234 2983632 2178204 3335289 6104917 17990070 26677 36049 828397 1119837 560082 6537757 1612246 19382 2817765 2057066 4021000 6398015 8688031 1717302 277126 5571483 3596385 2512325 9692741 5396829 1329865 1488215 715566 2252683 3522429 8773811 2781988 1110925 N-acetylasparagine 4260003 3146840.25 412264.6875 101284.8984 532311.6875 145677.2031 72477.0547 1597257.5 905655.125 299165.7188 474498.6563 226186.3438 1178356.25 1542213.75 476888.5938 82951.5078 304575.1875 812246.1875 902211.5 81417.4922 25962.748 0 119394.1094 123413.4141 51063.0039 454300.9375 766684.9375 176131.4375 193434.9219 73666.3281 435410.8438 146099.1094 1256989.5 579199.875 666799.0625 273235.9375 456712.7188 332575.2188 323921.2188 61092.6172 24509.9434 20771.082 232150.9375 161838.6406 102463.3672 1818095 210390.7344 98394.3828 521214.4688 443006.3125 748652.0625 658521.625 548869.875 518540.2188 322975.3438 492686.4063 415778.1563 242515.3125 614300.4375 517500.9688 1199338.5 840805 694139.3125 349020.7813 260238.3906 57065.6016 87589.5547 1324210 493388.75 365110.5625 1326457.75 810751.0625 443298.4375 1028508.8125 2097584.25 163971.0938 1036936.125 661188.1875 960386.8125 980529.375 472086.875 190400.75 1152041.5 0 778531.25 656798.375 446756.125 647992.3125 288866.9063 4368630 716817.4375 2152618 201900.4219 200599.125 1564540.75 1216387.375 434486 551408 744469 426541 272881 105911 395512 0 3260037 649120 17848 1101936 772143 604957 266230 881596 965720 1460482 694188 655078 362314 260142 38438 484659 1580994 148681 584509 368603 503944 523229 7049 532400 452479 132534 735620 625017 660418 456480 589983 40171 252199 321266 537254 101046 206371 2088726 199799 2545272 355196 1518046 2241554 374996 2380351 88922 228367 317369 427577 279928 245958 683904 186445 442978 663323 1222856 688682 20700 533355 301036 117570 411151 589701 1150672 32502 56058 1392735 732451 205110 2597497 737403 66168 944310 466908 442760 324081 1947528 285071 55971 798860 649923 988286 1319794 739092 597828 440092 419427 716051 111776 1012046 672384 942672 N-acetylglutamate 28447.0781 18851.2031 27098.0527 0 41642.5625 0 0 88350.7813 86541.2188 35410.5156 70755.2578 27647.5039 70719.3125 71512.1953 54823.9453 0 0 36164.5664 0 0 0 0 0 36003.9453 21100.375 0 51248.4531 0 23755.9453 21452.3359 0 48522.5078 55029.9453 55164.9063 39984.7031 0 16553.0508 46276.4727 0 15212.6143 0 0 36397.1914 12328.0947 21654.4023 26976.8945 8045.8145 20228.0703 42183.9258 47688.8281 50728.5508 52496.5234 67718.7813 55319.1172 60222.8008 49194.9453 29599.2832 38682.1094 41101.1953 0 20198.9316 75218.3203 50725.7695 38612.8945 41663.9727 22417.4141 39372.1367 88184.1953 31600.1191 37412.2539 114633.7734 92373.8672 22787.5801 86751.375 109374.2734 18513.8945 25195.7617 0 50952.1992 0 61923.5859 0 42456.6055 24085.7383 32698.0234 355289.4688 39526.4531 33805.6445 84270.3984 60217.4492 41642.5625 44073.7813 22464.1016 0 43318.9766 214371.6719 33851 17785 16073 46847 86947 21925 8346 28520 53603 28894 6636 11892 30799 79943 23886 7043 108327 43378 44021 36833 25913 79498 17933 13247 127107 67465 80093 57546 30090 38060 14750 8738 35552 44688 96655 38241 87382 28185 9575 166887 110374 20545 5974 15414 79654 56826 14348 29525 59331 14464 30123 50162 615307 22865 52518 52499 20287 36345 30799 61522 58068 109068 7165 8599 30985 26180 41186 17454 11739 90944 23516 45596 7318 11402 56645 15911 18112 16379 17199 12655 49083 25830 42471 60008 13086 52654 10775 6017 7886 75826 122517 173420 9005 10856 30726 24303 66965 37604 33773 32704 N-acetylglutamine 1025909.0625 1396009.625 47507.2734 278603.75 484572.4375 296501.625 353799.125 912602.6875 1549872.875 1620860.75 750703.5 590812.1875 1536771 1275144 1182824.125 252926.8438 210247.9531 416593.4688 399517.25 85019.3906 366630.4063 269488.0938 204954.4375 971279.375 276671.25 454867.5625 1602139.125 394761.7188 982180.1875 930350.4375 2191855.25 1003661.75 1359305.625 3127290.25 2614886.25 652443.3125 816967.625 1801516.5 72133.0313 25936.3027 239282.0781 548601.625 891928.5 44977.4727 34626.6172 1992586.5 378980.7188 498448.9688 2559816 1343281.75 2236919.25 1147157.75 2537857.5 1588802.5 891928.5 176009.5 140221 2477627.5 716312.4375 925043.8125 1092001.125 1353978.875 1048100.8125 784909.375 453017.3438 57344.9219 279094.0313 4908234.5 2399154.5 1956060.25 1305291.125 1979264.25 212273.9219 2623572 2705408.5 521801.1875 622411.375 31178.2559 1024039.3125 627143.875 1051670.25 83626.4609 514233.4063 472153.4063 1021066.5 3766312.5 713739.375 853506.5625 4677696 4680403 1065120.375 3860927.5 817897.0625 735533.6875 2181007.25 2031616.5 1252130 1439005 1532392 3978653 1906693 658612 744920 51653 2397789 3445805 12601 1475695 877030 2473492 1537166 1144525 503059 2827501 2358009 33962 330013 1032864 317279 857522 867913 738223 7997643 2688581 895700 2315979 159213 1848318 1039430 1780278 297421 3211457 3383813 1657505 1796770 572552 913824 3489759 700122 221549 5669135 3639632 1005239 4078029 3029041 3002049 1941959 3321698 3966954 14694 820216 2948741 1105942 815547 1477005 1268110 1397616 1940914 2524149 1264659 201024 385395 1882506 1311441 359647 1676829 697545 3882926 13115 39472 1996246 868868 624784 2809649 1272274 58219 2333680 1113170 1551584 1311441 1354772 199528 42632 889433 441337 1139362 3477324 3752817 1959694 1270754 832975 2649455 1689179 924527 2152520 1918475 N-acetylhistidine 741345.8125 549746.6875 233808.6563 228583.6094 297956.5 162380.1406 158784.3125 903029.125 1221438.75 460540.25 177491.7656 179026.9688 376938.5313 391992.875 204988.4375 211481.9688 186083.3125 145971.0469 177567.4688 238367.5625 212519.8125 277332.75 114030.8984 76769.0625 67383.4297 257975.1875 456110.625 257314.0469 1184413.875 744557.8125 464023.4063 817792.6875 499568.4375 1257962.375 975220.0625 154397.5 141294.0781 374472.125 77036 85339.8438 153213.75 242317.6406 879537.4375 211844.3906 193136.2656 1047201.5625 453058.5313 481447.8438 506410.8438 220725.8125 369747.125 129131.3594 192439.8281 727248.75 349203.75 145472.875 182219.8594 584327.9375 431686.5313 245891.9219 143931.375 194466.0156 130624.7188 101938.5859 84507.9063 216509.0156 313715.25 511792.9688 168958.7031 179836.5938 256370.0625 346546.9063 307562.1875 129696.2734 111923.1641 71580.8672 230529.6563 83885.2734 245891.9219 314080 314372.3438 115733.7656 210724.9375 248757.2031 309901.0938 1301267.375 329027.0313 195087.0469 4083035.75 3027377 1518711.875 3152241.75 165326.8594 241044.0938 484283.4375 315482.4063 302049 676228 347251 460574 2754815 496216 373669 0 297313 1250747 69595 406514 173145 1030495 859756 312031 422640 456321 87044 217157 187593 142108 192698 569034 552206 100369 4400814 2501907 87555 672407 138254 396799 204356 1049798 202876 74673 447729 364597 642996 16268 243717 2255610 267571 156703 473497 1831701 389629 751643 1441200 503671 3737555 354539 831545 118626 1882752 478536 707168 284372 545050 229901 703245 485373 407373 731153 655112 101113 346809 399081 457626 386631 293198 1012253 22494 34465 361998 417947 200239 1245857 322433 11869 936001 202272 260317 401779 727973 273596 39436 665143 365209 576416 1022010 940808 405443 486957 408232 414959 1127859 448819 440455 338605 N-acetylisoleucine 24631.7988 11026.8037 30265.0762 17420.7227 27207.8184 14971.1631 8059.5571 43958.4453 54175.7813 44527.7578 56562.3594 19183.9316 50731 34758.1523 27654.1973 16885.6074 19218.4941 29649.834 13423.0029 27009.7031 50694.9609 28294.9746 20287.043 17970.9082 11326.8887 29848.8145 17033.668 5467.9019 25350.0586 12051.9648 4894.7856 6963.2173 27612.7813 13112.4795 8732.3125 14670.7275 4572.3706 23779.1582 18430.8438 10729.5938 5387.3911 4400.0093 14202.6367 16803.375 15291.4277 7070.7065 10200.041 11438.1318 10072.501 14855.4941 12758.9912 22251.8398 17782.8281 26331.8691 25038.0117 9215.5791 10304.7266 8934.5264 35336.9844 8915.9775 12226.0352 17695.8164 15367.3633 5950.6113 22337.5957 21106.041 37963.0977 54687.4219 17695.8164 17212.5176 27640.6094 17156.4766 32025.3164 14033.333 17963.3086 13193.5723 14950.0254 18025.2266 16882.5352 23906.4824 22535.8613 16540.9199 18204.7246 21274.6895 13844.7324 121561.3516 21156.9707 17376.2266 28487.875 18004.7207 9719.209 24947.8281 8531.2822 7242.3755 22606.3457 69144.5938 17675 36662 13646 27864 45967 90019 7578 0 40302 95213 0 31438 26558 30231 113241 19226 14088 88362 68447 55983 56338 127299 51011 42512 35099 53863 110461 134647 35354 66128 15735 24169 27266 59363 37064 42045 108138 39164 36057 44956 82351 63181 29945 32104 33153 54797 7969 87172 32612 45479 80908 14023 120438 78228 95800 33963 15570 25902 24224 56429 49685 89029 34871 198575 4753 84667 15141 37379 34637 67173 48620 119135 4514 1880 57272 36682 8656 26109 33270 0 102307 63635 37108 52472 58623 4663 0 27344 46686 52906 63846 87160 42512 46098 10815 42978 20926 67944 46991 32685 N-acetylleucine 123492.5938 49741.707 160882.6406 99642.2734 142318.7344 59609.9883 26154.2227 219551.2656 330507.25 257165.2813 222350.4219 77423.3906 110725.7109 89590.0938 138616.5469 81111.4844 102254.4063 107936.9531 49672.0586 151456.3438 159718.125 143582.6719 103844.1641 99091.2969 47615.0234 171018.75 61625.5977 36269.7422 59662.332 47537.7188 17164.7656 31266.6309 101155.7734 70757.2422 46324.3867 30544.8535 19675.2383 116601.0625 46463.4219 21803.3848 22351.9004 22974.0859 71078.1484 54352.2227 53529.4023 28727.4023 62776.4141 75934.3672 44079.0391 65660.0469 53111.2813 66071.5703 76924.0469 104805.1016 92398.6484 36120.1602 32618.0664 21682.3711 134448.8125 40377.9375 50155.043 80417.7422 39206.3086 27748.3379 59521.2344 79616.7891 116245.3672 197316.125 77945.2422 74864.4531 138192.7656 63883.332 97871.8125 86515.6563 79033.5703 34823.8789 82514.1016 59215.7773 80977.0938 133284.7188 94813.625 75934.3672 102298.0938 119200.2266 61210.3867 803142.5 94710.6484 56909.3516 104911.1563 53959.1992 22390.6582 56700.9531 38498.3281 23328.2227 153843.1875 235982.7813 40432 90548 16835 56566 83565 245723 18378 0 88000 227944 0 60990 74347 67343 177885 32181 33082 149371 117861 142349 122052 214261 120353 97754 39988 98449 149196 303323 75397 87009 30757 49795 45955 82805 54107 74225 136755 75266 66553 47366 120880 115717 55121 60533 28608 56673 23401 172138 32673 97000 106704 17985 186260 198152 2062020 51071 37803 38304 60381 74002 71641 178860 53401 424090 3147 69210 27893 41544 74746 96701 82145 170362 0 0 74746 56059 15171 36585 57585 0 353982 163721 53437 43976 90336 5486 0 75193 165156 96741 132614 87185 69916 76338 13585 90569 59296 142048 131647 62452 N-acetylproline 1002977.875 733015.9375 378969.2813 325138.8438 1635973.5 333831.7188 343340.6875 797288.5625 517021.7188 1457028 935490 598660.5 589944.4375 1134795 878543.125 1072558.125 1416825.125 386149.5313 460167.9063 366678.875 329386.4063 329521.2188 463455.6875 846205.875 664872.4375 1273696.25 718431.8125 453454.0625 679379.375 446562.125 823860.0625 918477.25 1831785.375 506353.4063 916139.375 474767.4688 280506.75 545404.375 958052.5625 1115127.125 201000.5938 214739.7656 749810.375 314724.4375 498117.2813 1209982.625 772271.1875 767774.9375 1189094.75 699329.9375 462811.625 345491.4375 1267182.5 490571.2188 726524.5625 1066867.875 1121287.125 776150 346470.875 967818.5 176223.4531 204573.5625 1103894.25 1139547.375 664212.75 782868.0625 862886.5625 1197745.375 511423.125 511332.7813 439052.0625 476639.0625 779765.875 410429.4688 447514.3125 413830.4063 609923.8125 233033.9063 544615.5 703429.9375 713601 706417.625 575263.5625 513467.0625 755763.0625 2761954.5 523143.6875 1332463.875 714634.8125 1432935.125 689354.6875 1225990.5 689354.6875 1362803.75 592448.1875 349474.375 906290 2129907 1287390 1203384 1895487 1185841 1602213 483961 2283771 878720 134711 2025093 1526757 2056126 1162576 2144900 70457 1377954 1187085 743791 775335 1177323 1580652 859349 95207 990218 928728 1564603 1957021 756851 250144 1717561 724330 2309827 825407 1462537 1364474 2202409 2014733 795398 758624 1362316 793116 1448408 1578022 2825628 683741 1110002 1797385 617905 3178350 1892023 2798435 773390 1389600 692545 1439352 654335 1832833 3212720 1724208 2516159 1152050 911988 107594 407291 1771685 645277 689033 1170786 907923 2999714 0 86466 438418 417058 2431877 2827142 1065077 661671 1403172 2043569 1058188 205713 977019 440668 231945 739833 717081 2640433 1315982 1538932 1821042 2269091 2396639 974009 2651289 938404 1883751 1896793 N-acetylputrescine 291692.4375 254134.25 0 0 0 41011.6602 22634.1289 0 70605.4922 0 0 0 33143.7656 0 0 0 0 0 0 0 0 75223.3906 0 0 0 0 0 22335.3555 53663.3008 68469.9531 89524.1016 22044.666 48225.8477 25076.1426 66305.4531 0 86138.5391 28552.0332 0 0 0 55827.8047 11227.2236 0 16241.709 121521.6641 97118.4766 163564.4844 0 0 0 0 0 0 54507.8125 0 49970.7734 381022.0625 14237.9336 0 0 0 44380.1406 66614.3203 0 0 0 0 60629.9063 0 19162.5254 97424.5781 0 61066.6289 44524.0703 0 0 0 0 0 0 0 0 26623.3223 9462.1494 435374.5625 40589.2773 0 196534.1875 101490.9219 85510.1953 185148.1719 159740.0938 541219.0625 137652.9375 0 79622 156160 54261 638449 122713 469689 123884 25954 43842 60978 70448 115338 486067 48087 67663 37911 81298 63767 163384 63090 36612 0 12180 90252 50458 523166 501577 546373 147911 607776 16158 30283 12741 255986 44944 204859 39563 44963 16664 0 0 319933 61799 30650 53421 211088 96260 88501 123309 79272 484120 217342 230361 32129 702214 63263 163062 19166 13289 0 28735 14040 68487 687182 60993 19029 83940 32558 80178 21879 120291 764802 97049 52051 145267 80523 55414 133940 112148 32262 700807 52773 13014 150701 103023 1292885 552851 2316740 1294593 58352 80178 51038 46606 88364 138544 80734 401545 41817 66019 33762 N-acetylserine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 44693 22242 52627 58731 102003 53667 3952 95675 84083 195481 93876 29116 83561 19784 18548 18478 423775 65878 49133 100847 14949 46333 65163 25572 948513 45138 134761 28305 66251 31701 29355 49086 82905 54619 72271 30873 88983 63143 45768 26526 66705 77408 38011 24678 97268 43566 132167 401408 15910 179236 72275 98201 4783925 30451 1026547 53518 70673 61213 38090 10336 13586 49699 32781 155844 317986 25636 728676 46682 33866 36502 36689 72062 103303 112738 128060 42006 25307 49379 52627 42915 533483 32156 20059 53957 115644 194230 155737 126542 395786 61520 109810 51736 36706 36199 10137 43891 21043 31357 43284 26486 N-acetylserotonin NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 21805 755734 239582 10922 20013 24895 8679 4160 3566 41704 0 7646 525015 0 11173 0 0 112049 27370 0 2874 11510 6791 67458 11746 10281 46199 37345 1669558 13061 0 13336 0 11737 14198 11746 34976 55240 8146 4154 32100 0 3240 0 129030 10665 1849 64671 0 14019 0 5145 74524 4543 8147 4221 6645 7243 10750 24402 38442 3036 9598 10968 0 0 450171 36619 3960 33319 2767 4532 0 0 1181639 59608 19178 11746 33177 0 0 6790 4631 0 25120 0 0 3922 3482 3527 27777 32886 9258 9936 9378 18944 0 11371 68084 62962 N-acetyltryptophan 6454.6899 4567.5 5764.8691 4696.7012 10950.5586 4728.416 0 14776.5762 10413.417 15027.584 9322.5996 3762.1294 7844.8438 7998.1973 7783.4556 4936.146 4449.7871 0 0 6983.5015 3470.4348 6109.7798 0 0 0 5711.8779 0 0 3062.0632 0 0 0 4375.252 10379.5684 6640.9038 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6117.0464 4913.4937 5120.4443 0 9528.8828 7890.5278 2562.9636 5413.0396 0 0 4998.8916 0 0 5846.3359 4396.0781 4666.959 7288.4111 7665.2339 6179.0435 7049.2964 2742.865 7322.1006 4952.6641 3435.2092 0 0 0 5162.9629 6140.0513 6079.5078 3945.3206 6573.75 8313.7998 0 39294.9688 7375.2285 4176.4829 7709.1538 0 0 0 0 0 5392.981 8600.2813 10798 22520 37750 0 19832 52151 14790 0 15971 13989 0 12812 52198 13917 12078 3842 3667 10545 7800 8291 19239 51227 9042 13829 13687 13855 20874 22814 31268 45748 0 6704 19592 9912 15161 2484 8906 6147 7649 0 60601 18589 1619 10032 8505 2714 9310 36938 17589 16345 21952 2936 22807 22131 31072 9227 7666 53966 14898 4966 17582 47982 79454 37900 0 7730 42559 2135 7619 14937 10028 21036 0 0 42795 8092 0 8202 7154 0 44983 8920 4014 16143 8344 0 0 23360 34155 15591 26191 23401 14299 14790 14578 11050 11941 23828 21726 24631 N-acetylvaline 44916.4766 30655.5781 45818.7305 26990.1445 39756.1875 30063.9414 15834.2773 101505.5078 93901.6953 83442.4922 78185.1875 37375.1758 56782.8125 46847.1367 50258.3711 22031.9883 34958.9453 39473.2188 20302.8457 43168.8477 53952.1016 45486.668 32795.207 31702.7109 16621.834 47882.3984 21615.2773 19530.2559 55169.1758 40080.4609 25915.5977 10883.1641 34900.3906 28817.1016 21632.252 12370.5283 7497.5181 32575.5254 16327.957 12391.5107 7035.7231 7382.9502 42396.4102 12581.9297 16601.4727 15535.0664 15918.3652 21170.1914 17880.9609 29035.2109 33939.5898 35447.3438 45165.9102 48294.6367 40340.7227 12331.167 16030.4268 26857.4102 44546.5977 17159.6016 25482.791 29368.3457 19318.9922 13702.0371 29839.7734 28802.2988 45849.6289 65677.0156 47155.5547 50913.3789 68633.5781 49800.6992 35210.1445 41358.5352 45148.6328 17990.6777 29616.9668 24859.3164 33456.4258 45110.168 38488.8945 22253.0469 35092.9766 38880.2617 29493.3145 146254.0625 33456.4258 42836.1602 107564.1172 46282.625 19582.8047 49477.2695 32642.1484 23833.7559 46998.8281 133628.9688 71549 111192 62016 88565 172286 222544 22997 10460 121928 283819 12234 61660 76944 89682 219631 36486 58782 154475 238394 173045 121260 192530 114603 113280 139888 81242 421614 389819 87699 145561 64098 50425 67403 174563 146656 174518 207177 91165 76645 51201 143350 162792 49533 65749 138770 165578 22188 355645 142830 138998 311263 65708 261055 164107 676311 148444 47482 54316 89595 112917 131943 155378 59377 437523 29472 109943 46281 70699 51026 111637 102643 266360 0 0 210860 58743 36791 85492 57183 5171 263808 142181 52808 55600 216797 9914 4961 127071 163210 109467 153517 142008 81283 111192 37957 94021 55236 128882 122438 80304 N-carbamoylaspartate NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 105191 0 0 0 0 51119 0 329140 221116 0 86526 0 0 0 0 0 0 146876 0 0 0 0 0 0 0 0 0 0 0 0 47146 0 0 0 91084 0 39900 19121 0 0 0 29105 0 0 0 0 2221221 0 1709785 0 0 217856 0 0 0 0 14314 0 0 0 0 60489 464127 0 0 0 265809 0 121381 52421 0 0 0 89391 86633 0 79489 101253 0 0 0 0 0 368185 0 0 88219 156341 0 0 0 88805 38042 0 80820 0 40137 0 0 N-methyl proline 250808.4063 252698.7813 245366.5313 151472.7344 236168.6094 184373.9688 173539.5313 310110.2813 242055.5625 186104.4688 164641.9531 304651.7813 206426.75 214155.6094 168931.6563 166126.2188 180364.8438 197259 215214.6875 229102.1719 208507.5938 243718.4688 180361.0781 208000.6406 176509.0625 210960.2656 216653.8594 199511.5313 196732.1094 194050.7656 227940.8438 202953.9375 274806.3125 164984.4375 173395.5625 174344.0625 204255.1563 132207.9844 164993.0625 154903.125 194907.0625 262407.7813 217355.9375 162298.5313 232569.5781 205078.3594 250259.7188 275900.5313 212634.0469 191780.7188 180541.5938 174938.25 258879.0625 205139.9844 226274.2031 0 0 202156.4219 207871.9531 194449.8438 208494.8125 184853.6875 254570.9688 217802.6719 150387.3125 161155.1406 174677.7969 234177.5781 146047.0625 131684.8281 337006.0625 345480.9688 264091.0938 175668.7813 197816.75 200149.5 277508.4375 421440.25 245420.8906 204915.3125 227189.7031 283156.9688 234026.6563 210828.5938 180661.1406 531598.125 216839.3438 280431.1875 220291.9688 306797.3438 257436.8438 207871.9531 161029.4063 153010.3281 172040.9063 229564.9219 107079 345117 161199 144511 163862 173349 88085 122983 206939 160369 185813 273564 509418 269110 195216 188023 344808 191106 139656 228954 234673 157786 248925 149016 374915 179086 162705 201687 809715 125746 130921 143204 202591 175243 145670 158312 130720 121780 187728 155879 163448 107865 179880 157574 217668 272067 193400 237155 226135 179086 224826 136773 316825 107193 262865 203469 184955 155970 153496 209155 172077 241627 177145 196144 324902 134846 238338 261906 146247 181677 118142 169409 313568 224863 313006 147669 178939 130392 161660 91548 282323 110758 171833 169363 241597 315924 223518 162235 227617 217303 179232 193929 148986 174546 133013 150920 127868 261516 184244 109573 N1-methyladenosine 757285.75 602046.0625 321322.9063 330773.9375 221074.1563 207065.9844 322319.8438 267383.9063 317403.4688 262494.2188 352428.4688 366378.25 367805.2813 301548.1563 343591.1563 414731.375 373873.1563 276255.0938 367927.4063 274126.0938 557878.6875 675291.8125 465538.6875 711011.0625 595655.25 243263.5938 568618.9375 621553.5625 205714.125 408187.8125 205991.6719 627031.3125 310491.4063 799086.625 830305.25 349349.2188 455956.2188 370900.2813 314861 328991.9688 427098.5625 421536.0938 824706.0625 346876.4688 536687 389823.9688 437178.4375 455821.6563 541773.1875 341305.2188 335037.8438 343506.7188 456573.1875 280740.8125 338475.2188 341111.75 224563.6719 118672.1797 268844.6563 380093.5313 508597.7188 230636.0625 646020.3125 432987.5313 221645.2031 317910.5625 398332.7188 648191.75 403194.3438 422890.9063 485392.0938 502582.9375 405808.5313 621340.1875 398860.8125 441850.25 584630 731974.5625 357027 308322.8125 290012.1563 252087.375 354689.4375 388763.2188 367005.25 0 257844.5156 508950.7813 373995.2813 436149.5625 500941.0625 619786.0625 213413.5 201289.9688 260903.5938 283794.1875 331940 861347 361567 366999 713703 465363 194339 16512 591788 692251 6762 545479 105101 429937 603456 525386 299676 351527 698911 452812 399457 392640 717664 474216 265606 354963 411911 1016467 291791 517862 494546 343101 448143 681719 812515 252576 518310 384834 524540 264391 243403 649930 311574 420126 115598 133379 332516 188318 660382 178088 501058 288541 573780 133943 967777 383221 426771 344206 591263 459598 919381 415692 388224 393147 23148 429746 377596 613225 399457 266530 522455 1191594 28143 20956 167302 316369 217878 370087 1011954 28025 896273 389273 595058 428806 816487 66699 34140 419900 475145 263428 240940 209944 401645 644657 77736 480326 937552 340685 378440 608135 N1-methylguanosine 428330.25 344647 263449.2813 407317.875 345734.4688 156217.1094 173364.8281 254527.5 284387.6563 257192.0469 292496.4063 318164.5938 408751.25 359116.8125 378884.0625 272160.75 269015.1875 244467.5469 295583.5625 323367.8438 404326.875 418818.1563 348211.7188 294593.25 274726.9375 234161.1719 358764.9688 335443.8438 119173.3906 156758.5156 85048.875 208195.1719 238234.875 301132.5938 308241.75 251774.6875 288680.25 260391.375 341068.9688 325834.125 226412.2344 231343.8594 349389.0313 311701.9688 407708.0625 226258.5625 282315.5938 311276.0313 363572.8438 220984.9844 235708.3125 272378.1563 264756.5938 233058.8125 375829.5938 206166.9219 167126.0625 58125.5156 243883.375 276640.3125 281119.9063 216581.0156 462518.8125 410779.5313 381139.0625 238927.9219 320307.4375 287041.6563 234936.8125 274048.0625 349499.7813 258880.5 307375.875 440508.5313 354269.1875 405594.2813 343086.9063 521590.1875 302143.2188 289281.2188 320826.4063 212194.5625 263754.625 369284.9375 240553.5625 75230.2109 271041.5625 257162.8281 174409.1094 194072.0625 219780.7344 276640.3125 131224.9688 115650.9141 246287.5938 238909.8594 288427 570067 182617 215286 264684 424269 159839 8992 459863 497633 16032 371540 153616 230755 622950 427170 172363 498262 458006 409979 316666 443827 534494 533760 132212 296438 302356 610346 187779 483767 327229 324921 348319 451727 513192 173174 540631 359467 308410 166353 258457 472065 302039 386395 32863 100500 185630 114122 219068 129072 286439 175395 390771 354604 283578 173233 357846 192050 357777 271120 397862 455902 245860 366178 76840 577073 166313 480620 344558 307194 534175 649122 14002 14243 121923 262454 212521 356375 624548 16267 161341 418993 517456 356751 663857 91039 33932 263378 423492 461009 225893 164600 246481 316666 69634 371612 596325 469394 402999 497028 N2-methylguanosine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 297769 556675 259615 288670 401043 459051 138069 12400 460507 781896 2605 387866 583174 326113 898944 559929 168638 445123 479441 590513 385796 207163 520349 717293 124245 143755 303757 841967 959611 484746 273625 385036 466972 504240 660602 184934 447641 440636 501181 83560 310237 622591 362366 398329 62982 155422 250748 208519 239982 203449 362366 161016 490083 339695 921944 243706 565759 180239 310721 293899 216815 574326 240249 760742 37308 200702 282101 471973 387429 519221 566566 620713 10166 3710 206868 287500 247143 389354 743684 16128 522197 550534 294733 228573 794920 68091 30144 325819 515814 585934 298298 246856 236563 313951 64952 440658 1206469 682118 640315 536911 N2,N2-dimethylguanosine 524384.875 303039.1875 325006.1563 677212.25 649222.875 0 0 0 468423.9063 0 468335.25 389256.8125 467487.9063 502938.5938 583153.0625 508790.375 610239.75 358749.875 352841.6875 373162.1875 561465.375 725048.4375 540225.4375 633424.75 483788.7813 367922.2188 450572.25 365981.6563 220929.3906 271915.75 0 251647.6563 682714 584005.4375 533597.625 469397.25 476942.5 521492.25 697398.8125 815746.4375 283794.3125 438414.8438 545892.375 655065.6875 795772 304295.3125 422545.375 585632.375 450928.625 0 0 430207.1563 367678.8125 0 344609.5938 378295.125 443014.75 0 617068.375 460973.8438 379928.4688 375450.3438 544937.25 570110.75 740997.9375 522442.9063 785027.125 442908.5625 352918.4375 463276.75 471613.0313 334791.9375 450910.0938 545686.8125 402430.8438 571902.4375 419532.4688 659589.5625 422323.5 450910.0938 485129 0 301486.25 338341.2188 362708.0625 627805.75 278408.7188 389448.5625 201482.8125 396752.8125 401422.75 316851.5938 191654.875 226292.6719 356846.3125 410631.5938 432940 739103 348698 351190 480508 620473 171668 15046 603351 739689 0 589434 424834 837130 0 736068 303624 611365 510660 813249 1198657 0 799912 491902 209421 619979 397515 813073 885429 457957 462157 435109 0 576142 718500 278209 611351 347634 631339 405045 594231 509659 545477 586814 0 246312 251891 276250 0 244835 339048 94000 656773 1143566 923540 475422 422948 267884 0 447177 491902 0 338432 537057 0 1188140 341822 530779 430413 488724 798996 828633 8103 12146 178215 284395 360936 688346 476152 0 671275 912011 706778 922169 1054304 50525 26662 381870 520306 678099 0 0 346568 471586 104383 503296 834493 790751 551156 450203 N6-acetyllysine 204870.3125 185069.8594 43468.4609 45250.1484 45507.1133 32842.7422 30967.5859 60285.9805 131946.1563 56137.8008 41227.8906 156240.75 309273.75 166955.9063 24359.9824 66266.2578 25981.2363 0 17634.3164 23386.6426 24227.498 42128.6914 76314.2734 0 0 0 0 0 84422.1719 0 60628.9844 69303.9063 58196.6484 0 44760.3203 40132.9688 48242.5234 41392.4492 0 23939.373 26223.0996 40533.1133 106894.8516 45016.3203 60334.5391 126108.3281 80384.4141 95557.4063 33484.9023 115320.9922 94768.2266 23292.7871 0 0 122920.2969 83786.7734 66435.8984 188705.8281 39965.332 16866.6445 0 0 57716.9609 46797.3672 0 44496.75 77282.1484 0 61991.6094 53034.0664 44020.4766 151302.8281 0 80606.5703 104333.4219 0 15469.0947 0 0 0 42161.7031 0 0 114937.1016 106211.4609 488974.0625 63648.6719 0 154699.25 105220.9609 172873.9219 94559.5391 141029.2031 110962.1328 170098.9531 114252.4531 69543 81100 27828 172615 56357 87633 20281 10098 68534 69767 5905 56940 73944 24892 50346 20261 34431 57633 71957 87831 31289 0 32503 71709 57872 15179 149949 281085 67958 126172 27591 20555 26840 186352 82531 131925 31248 32679 27389 0 9155 170645 43683 49937 110123 72441 111373 91381 52790 94996 148369 0 620060 22123 575642 19061 168241 51859 5623 6572 30813 83506 43180 231768 56536 29279 32248 170711 65501 93959 79160 476650 11149 11047 26551 39627 17296 69470 44291 2192 413830 44373 16157 217855 74809 113156 53549 136055 366584 459308 59927 14690 52744 56738 21852 42813 97248 65703 37537 15801 N6-carbamoylthreonyladenosine 355637.8438 274752.1563 372780.0938 488145.8438 509449.3438 295600.875 214051.9219 449070.6563 399384.4063 261461.25 459538.8438 450160.0938 380147.2813 320653.1563 504792.6563 429373.5938 382251.8438 367090.7188 378429.5313 451638.7188 479147.3125 489070.8125 448879 435383.0625 393782.5625 307636.625 467778.125 394322.75 252679.6563 266710.0625 210737.6094 335364.4063 349190.375 264794.2188 301169.4688 248021.8594 262834.625 293635.6875 440593.8125 380872 249117.4219 271145.4375 369935.4063 362065.5938 515496.6563 278829.8125 307430.7188 396142.375 284488.8438 449442.8125 405904.2188 367816.4688 340148.9375 256202.9844 349013.9688 300485.125 272204.125 280403.6875 389891.2813 287397.2813 343558.4375 339440.5625 442855.7188 389331.2188 349812.6875 288154.5313 426108.0938 388565.375 362961.375 369935.4063 415159.5938 564411.5625 406992.0313 581486.5 473446.7188 457423.3438 438269.7188 962187.5625 363134.0938 398226.2813 349411.3438 372720.6563 516070.0313 528111.4375 292153.5625 707773 298960.0625 423479.9375 269759.7813 337642.6563 454526.25 276993.3125 310920.875 318969.9688 358374.9375 534189.75 445889 1067009 450848 563563 554253 773059 341381 462335 873563 622169 345126 561414 398761 451048 598471 745312 1519978 667564 797026 1815265 889197 975183 846750 734751 1539474 460004 512599 985011 796847 571780 448241 395933 717498 559482 1380838 566365 587574 454255 553536 429316 637390 652885 412101 692314 422488 739447 235154 447270 329547 423859 437606 345091 1097521 680243 976969 411994 442447 617152 399642 551113 566365 768210 330475 525763 537595 896822 421809 705651 483216 475773 767302 736394 1353869 1064520 329468 471536 583831 510108 567138 199859 980197 660238 730972 563288 1048759 591300 359122 560257 670103 797948 560949 511338 369059 544884 582689 564091 662518 593564 659353 500197 N6-methyladenosine 516089.8125 537625.9375 645270.1875 902199.5625 755866.1875 524076.625 494791.375 671777.4375 548381.625 678562.4375 912285.0625 939424.0625 1090231.125 1038448.9375 824384.25 582838.375 730542.3125 469539.5 552931.0625 662886.0625 777927.375 585629.1875 609286.0625 683231.3125 676640.4375 524731.25 658161.25 497575.125 127982.8438 210730.8906 87097.5859 214578.125 713785.25 326078.7188 344170.3125 601931.5 557003.875 268678.5313 925344.375 808051.0625 341504.3125 323900.5938 513133.5 493324.0938 767320.5625 213729.7031 315045.0938 358323.0938 556639.8125 617394.3125 405657.75 904875.4375 610405.6875 536300.0625 864789.125 249143.2188 225925.2188 40774.5234 577509.125 550765.5625 764188.1875 677081.375 1138329.625 1017511.375 925091.3125 545671.375 718345.875 626179.5 436115.5 580173.75 477487.5938 180653.4063 704337.625 581109.125 742082.0625 904251.75 679481.0625 432929.7813 659016.75 608976.9375 708890.8125 579238.4375 485420 985414.4375 462133.75 0 600620.0625 751509.4375 197689.6875 193065.2188 159147.2188 195018.125 66631.1719 62789.2891 361292.4375 704019.6875 427018 372231 87839 173344 489134 449106 46083 2926 634248 583915 0 319683 89468 363836 1015910 363836 95873 971844 427151 387944 468861 1005323 876939 859864 96928 686380 239562 663367 112539 831342 565408 183089 418780 326436 843554 126516 1729951 246946 265891 433887 902248 445297 378688 517568 51449 46405 49979 90155 363836 91306 210823 70993 345799 1193523 149352 258722 200879 112836 627084 702619 654289 1209974 115559 358030 4389 1299220 46309 516040 545291 633318 791061 973525 11821 12282 81328 251277 223166 344954 713221 4524 138323 952475 1091426 619732 643643 47872 27220 63842 114850 939278 363454 414857 128971 246456 48105 279889 534080 532931 781788 667526 N6,N6-dimethyladenosine 294357.5313 145087.5156 200926.4219 335033.6563 200010.2656 92464.0781 51413.4492 205129.8594 205664.5781 263008.7188 250797.8906 234445 194695.0156 211568.7031 258683.7031 154417.3906 190704.4531 307735.5625 250373.2969 255496.9375 311157.625 296865.4688 288798.9063 272036.1563 223434.9219 356322.3125 349183.5625 285691.4688 37428.3477 84803.9063 22067.8398 128524.1484 390654.2813 170344.8281 177304.1563 226252.7031 200751.25 150087.3281 275770.9688 186109.2031 126179.625 163253.7969 347614.7813 213354.125 268678.3438 58841.7578 199666.6875 273871.7813 274293.0938 53756.957 56162.2734 200751.25 184518.625 248054.4688 359272.3125 157751.5313 116435.9141 0 221688.8125 213255.0625 115642.0703 144152.625 200576.0938 221794.9531 395711.6875 226558.3438 315621.75 199907.1563 39425.3281 48445.3438 129255 68436.9609 299024.375 86696.1797 114784.9453 317950.0938 229062.7813 350314.8125 197218.9375 266574.9375 289076.9375 192716.0469 196307 314376.8125 56691.5742 779998.1875 267282.3438 78115.5078 61478.957 85433.8516 89699.0859 146024.4219 15342.7393 0 125541.3047 24985.9688 106389 365093 22437 74634 117158 402123 17130 0 307880 528666 0 162001 69738 449640 654813 185620 13172 239608 91322 413770 518559 763687 1379097 444347 20977 224184 82126 375721 135660 176125 142866 115228 232899 134004 286143 19604 185132 150403 158846 146943 349053 149931 133520 149559 12671 22039 73402 32173 82643 17812 69722 22527 211618 349215 553519 153558 85455 20866 403936 78144 325929 475840 11853 156365 0 377993 26359 156202 230014 253353 348740 204278 0 0 93304 33027 12305 147724 599150 0 1564573 413693 426991 419281 424204 0 0 22242 72740 366867 64679 28418 19846 35294 0 129165 528155 539247 1271425 174773 naringenin 73882.2891 43902.0234 0 3907.9844 2774.9988 0 3937.2771 4311.3853 2883.2234 5519.9829 0 7681.7051 14208.001 13309.71 6329.5708 4137.8706 7687.0903 23290.9512 8108.6909 2825.9585 2759.1619 11512.5205 0 32389.3262 11082.1191 62145.2656 4204.3892 4108.6519 0 7602.8809 4374.3403 0 28255.623 2920.5645 0 67348.2031 3907.3025 200969.3125 20636.1016 13427.4863 4283.5645 4120.7783 17627.1758 18625.3027 3371.6123 10945.8584 2431.7068 0 3438.1753 3690.7358 2451.6348 4092.4724 3021.6226 69979.7734 4721.8022 7681.7051 4293.5625 0 0 10584.6465 93304.3516 75267.7031 2572.5388 0 0 6557.0581 3810.4424 13624.9141 7245.8716 20071.0801 3837.6814 9624.0996 4095.3083 18153.5762 13520.415 3208.6228 4794.4829 4810.9883 31900.6992 11578.834 78424.3594 0 2403.572 0 7913.4043 200918.4375 148962.3594 2515.3186 8750.6064 242750.7813 10052.3027 30938.8887 6404.0264 6200.688 9033.8389 13624.8213 9937 25008 16325 14004 17247 13026 12097 0 20850 9197 3606 11789 43056 37450 37831 24321 18154 31888 20612 20482 7221 21554 111871 13392 10031 1630 40844 12395 15855 21801 3834 3474 95397 24743 5766 30209 0 4909 2145 25109 40045 30617 109135 7388 44089 31610 26102 24830 1026 11953 3444 0 11279 2925 55752 8254 36458 13387 0 59945 22235 13045 3913 19484 6392 3879 18452 9859 6356 45046 18313 4217 4497 2826 5345 6414 16090 16232 0 0 25331 20021 45612 4627 3948 3699 4025 20840 33897 8084 22058 13988 80011 40098 14933 13253 25688 20388 12630 0 naringenin-7-O-glucoside 34343.5234 6135.2144 0 3464.978 0 2747.7302 4616.5117 0 0 0 0 0 7132.1104 5404.5044 5029.3677 0 0 8275.2588 0 3535.1785 3298.374 6397.3311 0 10013.3369 0 23756.7227 4810.1987 0 5638.7227 8190.9902 10065.8086 8019.9463 7132.1104 0 0 31553.1113 3970.1218 14387.252 3432.6365 0 0 0 0 0 0 0 3223.3513 3906.6343 5226.4526 6178.3794 5369.9668 3516.3015 0 45368.1094 0 0 0 4596.7964 0 3583.5369 205187.875 74008.6328 0 0 0 0 0 30987.4883 7903.0215 20899.1152 3260.1255 15573.0264 2466.915 7866.8892 13679.5479 0 5599.6445 0 69722.5703 17733.9629 22542.1445 0 0 0 4620.3311 25195.3652 40755.7148 5490.0356 19514.2715 94090.5938 6227.1987 14058.167 0 0 0 10559.668 12634 6630 23972 15959 17964 0 3104 0 15890 0 0 0 1577 8259 14848 7605 54558 32711 0 8858 29213 29164 26944 3717 31382 1467 79999 7599 1576 12545 0 0 13856 22251 2809 21461 0 4317 0 45782 28510 10562 162370 0 62327 35848 13725 5956 0 11047 0 0 0 0 0 0 55260 7751 12152 39717 4722 4117 0 0 0 0 14950 0 7114 12634 6392 4179 11964 13065 0 3426 7208 4303 0 0 0 2029 17853 0 0 0 0 13367 19442 7312 9779 30989 20363 9734 14008 4317 12722 13720 11179 0 nicotinamide 627422.5 433515.9063 29971.0605 73692.0859 11442.0166 157823.1094 223907.0625 13585.6162 31302.9355 0 89729.0703 40490.1914 55827.1602 13216.2881 100350.1016 75438.1641 24080.2305 72617.2734 24429.041 0 383868.2813 149306.4063 0 338011.1563 113970.9766 170176.0781 141546.8594 113396.8281 3479873.25 5434190.5 3187539.25 2468580.5 62362.2461 1754139 1030221.6875 196426.6719 1018901.3125 71921.375 31107.0996 41006.2969 749236.5625 1493706.75 1135244.125 35744.2227 55597.0586 83443.2188 168130.5 242002.125 935049.125 1233833.75 1426551.375 68740.1094 125438.1953 129581.8672 134220.4844 29053.5098 51426.8711 11808606 47685.293 103098.1094 3660276.75 588673.125 757322.4375 173501.5625 32487.6191 0 64813.0742 244394.2813 917854.75 2106415.25 274601.2188 4600243 139012.25 169153.2813 767000 66324.9297 173723.6719 704229 245146.2969 169153.2813 120244.2734 0 0 110822.1719 52960.0898 218890.4063 54173.7695 2437055.5 4551877 2521342.75 4656222.5 2818082.25 1073228.625 3009545.5 18868.707 230902.2813 45434 33226 28393 3393051 2943191 30523 47482 55130 64281 84606 29826 27054 57925 2253285 64461 80540 10923 55130 270669 33139 25404 141875 99586 44237 7225 163237 1374840 353839 119594 100570 1177832 5155 1537317 2466386 13406 1527045 248282 25034 9649 592618 52554 243580 11379 33849 6805926 4425510 88996 9511 4435397 7023 1959698 652569 16951 21211 102169 1343321 389069 39324 557485 133677 3158818 32780 16423 8588 27288 171705 39603 48677 95710 9066 20629 67185 22206 48966 9623 19297 267676 57706 114348 46507 966171 24604 716716 349251 17914 7365 8644 8132 7292 31286 282887 453949 21922 76041 696480 48181 176100 22666 20806 22076 nicotinamide adenine dinucleotide (NAD+) NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 977 0 0 50278 5075 0 0 126545 0 14396 183398 0 23458 0 0 0 0 4956 2765 0 0 0 0 0 0 0 17993 6505 163075 5198 0 0 3282 29403 0 27697 0 0 0 0 0 12669 0 0 48685 12249 0 0 0 0 18014 44555 0 0 0 0 11550 14000 0 0 0 0 4793 0 15494 0 27911 0 0 0 0 0 5306 3308 0 11829 21358 0 0 222590 0 0 0 0 0 0 6784 9233 3776 0 0 0 0 4950 4839 779 0 0 0 0 nicotinamide ribonucleotide (NMN) NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 54771 55631 48793 386089 135920 0 63949 411665 0 5811 269311 22283 115094 0 27489 23290 63095 38536 120456 0 0 0 0 0 127332 0 23599 253486 81881 89588 0 31470 71838 558725 30498 145339 19535 19619 19782 0 0 39904 10426 0 479799 40871 227200 7229 0 7060 48340 668616 31748 0 0 0 180669 602473 10458 6776 8542 0 154111 7447 552081 0 248619 25968 0 8698 29100 55631 154494 352178 15784 50336 395076 8313 49614 1070435 0 0 0 0 27939 124575 2031800 167402 78084 0 46646 91107 63869 88761 1276423 54331 8965 0 11438 60926 nicotinamide riboside* NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 170632 67942 20700 303158 1502070 21040 78096 69467 36523 123812 30147 23521 1664013 74297 42553 72201 12349 0 356191 10302 24773 62373 22357 13166 18694 55799 794647 1083108 1138524 100347 0 0 204431 2581224 10296 455016 50595 0 9768 101024 25106 451832 32239 21442 1529795 2819948 1127389 0 81167 0 554906 4783677 132202 0 42928 155415 950137 109681 167007 0 109046 65024 86415 18261 85785 19136 474111 44447 12746 10639 0 99237 582020 937338 70529 0 132426 30685 55068 390491 37308 25116 27652 36784 75556 408472 447429 46621 33845 23280 113759 226272 71226 83688 855500 98165 358919 16823 70607 76837 nicotinate 7135521 7866297 8111499.5 10178065 8693260 7048560.5 6114847 12111267 8620091 10950951 10812442 10934484 9061345 9818859 10608759 8488252 9978540 8213855 7447099 8474334 12241875 11773378 9390925 9950306 8509241 8051407 8791446 5563747 3439862.5 2706706.25 1800693.25 2107554.5 10459454 5609558 5593807.5 9239136 7536392 6142239 7129064 6784661 4918158.5 6027706 4827731.5 5529713.5 5440082.5 5616092.5 6640831.5 8731946 8027650.5 6702385.5 5450233.5 8181727 9790481 7851237.5 11675210 4756078 6074766.5 3918703.75 9653149 7867064.5 4316906.5 7912770 7777508 9225229 11125667 9197556 10782187 11861703 5282152 6796150 7658448.5 4108867.5 8914975 8502477 8211526 9552407 6021441 6522174 6238617.5 8573190 10804528 9810037 9939537 13411869 7912770 1091332.125 9359087 7133486.5 5063523 3467032.5 2541764 4479600 4912832 5100947 7933558 7974302.5 5085441 7386674 3013011 2866978 4746370 5746078 3107301 27736 5308119 5901649 30977 5672671 2313367 4404328 9335594 5595017 2031576 8200654 6643178 4206829 6068886 8106773 7594149 5841719 2651329 6031022 4746370 8837395 3001521 5636597 3434433 4689445 4087590 4739482 5004096 5118735 6613118 4845167 5288533 4107901 6707570 3685453 5986943 5683540 3974656 2053911 2753876 4019996 4076261 3754769 3295410 2855281 7214261 7555053 3843140 1871878 3703491 3004348 6402027 4659860 6304400 8098698 3802511 4296949 76775 7756894 1761567 4336633 5615442 5283337 6347068 6170465 346635 141470 2644751 4803295 4081158 5138118 4339988 43438 3370476 5985124 4842203 6358795 8089993 649355 358387 2599470 3311936 6309098 5131150 6209767 4440614 4764830 3954218 5410930 6417208 6306933 7678968 4488149 nicotinate ribonucleoside* 1491049.625 1356591.5 135629.1406 696755.1875 124791.3516 2040676.875 3578530.75 233650.9531 210117.6875 218242.625 343145.9375 540051.6875 1843600.5 920587.6875 1388159.75 1476989.875 861685.5625 963479.0625 2151903 770283.0625 3016714.25 1963108.125 268415.7188 2336603.5 1524450.125 577747.8125 3354267.25 3323985 2512087.75 2335341.5 1388400.375 3327265.25 781543 5795654 8060171.5 3948975.5 4131013.75 200555.0156 883867.1875 1240786.625 2441375.75 3480262.75 296408.4063 115445.7578 217061.0313 3829102.75 1558237.875 417304.1563 973679.4375 5707838 7023180.5 2459491.25 3220908.5 1654554.625 1301326.125 2517293.5 1749077.5 4894050 172086.3906 3812877.75 4845742.5 5497703 4577262.5 5653328 446400.125 500251.5 454521.5625 1210985.375 4908469 6346947.5 3683365.75 6259447 1304766.5 5250057.5 7438693 1973044.75 3345034.75 3329921.25 3127723 1603715.625 973863.625 759178.0625 1184292 1511774.25 3972153.5 1382097.125 968903.5 5087727 1483014 1749077.5 3400633 2265981 3533244 3291197.75 214320.5 4159520.75 1718168 6575280 3663888 4585089 4697031 1415403 6256793 1006975 3634170 1498730 766993 1864384 2402981 4412563 1726047 3917431 5003889 3444294 3917125 666411 2326050 1484693 2426293 2996294 4126323 2120306 2882903 362547 1727781 5956603 3443358 772701 7861899 4789745 1108487 5510409 4848819 4036563 900355 609204 888741 4678428 3495202 4013418 3005636 2976879 3219657 416944 1936814 568395 4773490 3858393 615044 128970 2326926 1420089 3902949 6131276 1309468 3509310 3196045 262785 1364876 196697 1608611 2535283 4199011 2202262 3417953 153753 3060576 5288937 4509956 5297704 616393 3124858 7529516 6301766 6424404 1931906 3288423 127161 5520155 3629939 915188 5556628 3353877 4069670 1076773 242799 3698447 6345562 2060778 3487637 7985543 3060576 2727184 788880 2002037 5101041 norophthalmate* 0 0 0 0 0 0 0 0 0 0 0 0 4110453.5 4110453.5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6987 14280 7959 36309 10145 14901 23007 75120 0 0 49230 4923 6478 0 16415 7865 24589 0 44031 0 0 0 0 0 67584 0 31565 47390 6042 7797 0 6925 6488 18822 0 13819 0 20095 6449 0 0 20295 3274 7886 25682 9535 46585 12912 0 21734 4624 21613 21997 0 0 0 37277 10093 0 0 0 0 0 5564 227841 0 6399 11684 9677 3599 18656 5800 148702 226009 10667 5016 20145 14286 0 69454 0 0 0 6246 13319 685938 356456 11782 13813 9914 21877 11466 0 8492 16126 17361 34046 0 12545 0 ophthalmate 0 0 0 0 0 0 0 0 0 0 0 0 46362856 46362856 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13424 0 0 0 42646 6143 0 31741 0 29945 37429 4048 37721 33288 0 0 64530 7235 7650 0 4894 46972 24412 4497 219841 31115 23043 12466 21570 36919 20741 0 9870 0 4487 0 9941 6754 0 3425 25808 8287 0 21892 0 0 13820 66375 22159 29486 0 0 0 26917 0 20300 11669 0 5834 0 40308 16311 0 4838 740811 81174 8277 127756 21625 24359 0 15819 356657 279456 0 5083 0 21892 48841 19790 70091 8356 48349 90364 8099 1676670 878269 4846 9733 48903 36421 37456 2866 0 31230 6829 0 10777 13450 0 pantothenate 3495976.75 3232792.25 5811915 5429154 5458142 4367253.5 4739927.5 6457003.5 8062490 5503652 4404329.5 4870526 6536422.5 6758092 8924131 5037788.5 5517342.5 6249734.5 5480277 2922840 3461470.5 4495828.5 3743051 4402465 3349797.5 4536276 3031151.5 2807596.25 1761332.75 2081712.625 3177443.25 2484225.75 3255852.25 3131185.5 1445414.125 4739346 4047898.5 4929546 5027363 3640914.25 3473953.25 3131892.25 3202095.5 5185392.5 5996530 3747798.25 3658741.25 4513226 4798705 5222766 6103339.5 4286821.5 6561973 4640636.5 4769025.5 4905835 4271853.5 4389189.5 6003570.5 4925007.5 4081949 4387968.5 6359290.5 5858142.5 5430485 5412944.5 6852139.5 7022628.5 4769025.5 5012027.5 4089797.5 4361483 4838910 6068025.5 6108259.5 6647631 4826936.5 10825671 3773449 4625421 6018581.5 5837171.5 6536408 4198444.5 5217680 6723053 5777230.5 5561941 2002906.375 2918691.5 6310107.5 2101872.25 2776407.75 2745754 4681132.5 7469051 6238793 5038272 5307990 6724290 2267015 5050675 5288144 4680824 10012204 9281978 7777778 7024751 6013131 5199313 7036205 6624383 10513616 7356535 7402995 17031438 6584228 7266601 7794273 5250214 8672295 5356208 3419316 6545964 9473079 7802904 4702363 5270955 8427286 4768293 14804015 4379150 8210878 6385131 5589257 4240758 5658713 3237812 7856542 8409108 4243658 5943249 4537592 8835413 3605314 7830315 2492246 5894919 6886522 7197807 7109234 2482794 4724700 6570287 4885455 7588256 2838647 9454951 6570287 4821329 9941300 8930347 6220532 9176546 4497350 5846968 5979194 6541149 10302975 6845011 6516191 8599354 7317521 5292871 5709691 3445337 7231411 9282113 8786945 5610007 10008564 6003017 5735892 4860089 6942488 9439864 8867374 9287010 6646417 6191500 8226580 7195592 5434222 10233065 8538699 6340631 phenethylamine (isobar with 1-phenylethanamine) 328570.125 326549.375 367190.3125 58834.668 56461.4141 95125.9531 117994.9375 275309.2813 64123.0508 85238.3359 63537.0117 112280.7813 192988.4844 109979.3672 48327.5742 15263.0918 22678.459 113281.4219 297206.5 87392.1563 41192.4961 45826.8672 89843.1563 27026.7246 45080.1133 111280.1328 538618.25 428277.4688 70807.8125 146627.5625 1010510.875 164662.6406 76455.1328 23422.3574 18633.4395 45965.2813 33816.5273 116487.5391 42727.6953 20340.3535 38428.3242 42807.2891 297129.4063 567084.4375 581675.4375 1493107.25 156196 133233.8438 375630.2813 55940.9219 75530.1797 42729.1836 160253.4375 686690.5625 332713.7813 152435.3125 297567.2188 144643.4844 131461.9375 155402.1406 61671.5977 35865.7109 272703.6563 182539.1094 21901.5176 59890.0781 41336.207 81486.7109 145405.2188 56354.5547 95900.4766 141385.0156 162811.5313 1115126 479922.5 71855.6953 80419.3828 17292.7988 82413.9297 43758.7148 132929.2344 85655.5313 78288.2969 112280.7813 192251.0313 996688.625 382029.2813 26062.707 673980.4375 2520832 786376.9375 2629993.25 2343705.75 1646472.5 106363.9766 1107808.5 966505 3271991 530583 742225 13855170 526999 124246 699605 88024 765234 246820 1204401 680331 211220 125601 220679 233750 2043010 6134958 7604 89555 74371 163470 278124 144781 26046 489088 479119 201658 299370 24267 261846 23184 469873 67297 6504379 96032 591434 404433 4789 32957 606311 69358 19199 3023151 2408791 1665760 147440 80596 123625 1804738 759252 429664 32820 90057 21451 755954 233750 106433 113490 20594 84221 296988 42415 116641 14412 530202 499763 501545 551032 55105 231460 144271 228466 394089 558471 49317 1751229 2434778 308054 79251 393161 17269 44683 1214589 150224 44731 35278 54038 393765 388480 108320 535554 409107 127427 1623375 65442 136130 518094 341334 phenylalanine 11905116 13427041 8289568.5 5095858 9318454 8545440 9462207 10157827 12588381 11428378 3048795 4996461.5 12863731 14494838 3563298.5 9243204 6004279 3355635.5 7529303.5 2350760.5 2916241 4192959.5 4530022 3328948.25 2965340.75 2025319.375 4980161 5966585.5 5937535.5 2231452 7470497.5 4129254.5 6115021 5399113.5 4465569.5 4194369.5 4034917.75 8439081 8524078 8138190 2708930.75 6004279 6501888.5 13431453 12957247 24720686 13675237 16766107 15241509 7476708 11863556 2896648.75 4498777 4916245.5 4671047.5 16387280 22971680 12936163 6071022 6671075 2096257.875 2584117 7027842 8217346 2607480.5 5915204 6329815.5 3783312.75 8817747 4868235.5 4619487.5 5572542.5 2685664.5 27333058 18512604 2544869.5 3190602.75 1584003.25 3273326.25 2904702 3492432.75 3716438 3336231 2938092 14499207 5702288 5594470.5 3026886 8228747 21323518 28807204 14783847 24493034 28305882 13994102 24857110 15609108 17806440 12786386 18882618 18357568 12947642 17804008 12546947 8851825 24566192 9724047 20727588 15546342 3276234 19017562 25804804 10849832 25137734 19305676 15497779 9433126 2622747 4193819 14012359 15080288 2105578 15205283 26570726 5366137 15233769 2681567 18805324 11000605 23312988 20337034 17189326 5378236 17991148 23631046 893611 2350737 16995438 20650254 8453443 13672615 20343016 19670076 16062321 6764018 13200107 17804710 14668800 20149378 3603654 60867660 2380668 17385342 16027572 3305456 5242800 2598516 7844692 19187024 26523090 17265738 4616341 12048718 21847182 12655903 21475290 22359694 14921957 16382096 16027572 11270770 17900976 15727048 37855108 12424501 10723871 64938252 12176020 5145079 6819879 20965748 27605922 17428794 22299380 24905132 11439981 17191318 7884974 22176714 23879746 17815230 17562596 16328098 11077393 24495870 21881036 phenylalanylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 3916 12165 1736 0 1441 0 7935 10056 0 7270 3665 3794 0 5011 0 0 0 0 5821 6881 0 4604 5012 6190 5109 12629 0 4246 0 0 3960 0 5011 2641 0 0 0 4825 3248 0 0 7856 16058 0 0 8003 3394 6572 3698 0 0 1483371 6698 1863 0 0 4302 15227 5196 0 0 3311 5389 3922 1722 0 0 0 0 17051 0 6237 0 0 0 1545 0 1784259 4633 54449 0 1915 0 0 0 0 3563 0 4719 0 0 0 0 5478 0 2315 0 phenylalanylarginine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 0 0 0 0 0 0 1465 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10541 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297872 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7443 0 0 0 0 0 0 0 8992 0 8992 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylalanylaspartate NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 16708 13174 0 3384 11416 10933 10374 2866 14897 86941 11701 3549 15797 0 16958 0 15458 33469 15319 2355 5078 9423 6263 6390 25275 12916 0 13820 10981 7066 10374 2434 9240 9532 5069 8311 0 16365 3997 0 0 3993 9772 3289 24804 7542 5491 11886 0 9020 3964 11964 27088 0 1673436 6594 0 0 0 12287 14602 3814 7967 5876 14542 0 7404 0 6150 8915 16530 8408 25074 0 14286 10374 3423 14064 10485 3548 2331353 0 18428 0 4387 17905 16188 3702 4088 10777 4993 8983 7758 5348 13074 10508 14980 5864 40640 23872 phenylalanylglutamate NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 3087 0 0 0 0 3179 0 0 6493 24019 9641 0 7188 0 0 0 12458 15750 0 0 0 11052 13839 0 10986 0 0 0 10641 0 0 0 0 0 0 3956 0 0 0 0 2658 0 0 0 0 0 0 0 0 7571 0 0 0 0 953523 0 2490 0 0 0 6792 12915 0 0 0 0 0 0 0 0 0 0 6572 0 8188 5367 0 0 0 0 1091330 2979 9952 0 0 0 4341 0 0 0 0 0 0 0 0 0 0 0 10258 11107 phenylalanylglycine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 6068 4490 0 3506 16568 8559 4614 6612 0 45410 26496 2590 18316 5581 8881 2869 4522 6122 9690 2981 4231 5928 3858 0 5587 0 0 5575 8544 3326 0 0 4739 7367 0 4371 0 4717 3341 0 0 2823 5608 3336 3166 11142 7606 8966 0 8138 4220 7360 13382 6252 2830378 0 4668 0 4880 7938 6890 0 0 2093 8722 0 8277 1983 2235 2343 3299 5383 14509 3903 16599 2567 2741 12272 0 6071 4205704 0 13770 2783 4174 8950 2320 0 1577 2561 3598 5091 0 2234 6618 0 11131 0 17611 6751 phenylalanylhistidine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 199102 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 199102 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylalanylisoleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 6314 0 0 0 0 0 2360 0 4490 0 0 0 0 0 0 0 0 0 0 0 0 1507 0 0 5016 0 0 0 3372 0 0 0 0 0 0 0 0 0 0 0 0 2789 0 0 0 4087 4059 0 1684 0 1157791 0 0 0 0 0 3947 0 0 0 0 0 0 0 0 0 0 0 4199 0 4073 0 0 0 0 0 2931072 0 23479 0 0 0 0 0 0 0 0 0 0 0 0 0 2781 0 0 0 phenylalanylleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 28426 0 0 0 0 6234 9820 0 8725 0 0 0 4925 0 0 0 0 9820 11988 0 2063 13258 0 0 26322 0 2539 0 0 0 0 0 0 0 0 0 2143 0 0 0 2567 0 0 0 9820 0 0 0 0 0 1834115 0 0 0 7564 0 19490 0 0 0 6493 0 0 0 0 0 0 0 10093 0 0 0 0 0 0 0 5107689 0 67595 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylalanylphenylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1611074 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1611074 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 phenylalanylserine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 92105 91409 12600 49338 65496 3130 144082 115108 8428 34816 106491 105536 66985 0 15637 47995 61439 319316 25577 2105 2405 0 12067 9671 50717 7634 20199 178994 27914 30856 0 354516 3216 208762 14901 37809 0 203371 169684 0 5406 21543 207432 0 17499 165051 25556 31113 14665 17637 57943 59763 112466 0 2177451 7977 39762 95381 9431 0 11628 0 216735 18651 78564 0 40989 92108 0 13042 98764 19423 93519 375801 58296 62648 246454 165518 56094 401937 1620495 0 18191 0 19293 315787 229526 176189 64610 19560 20635 9182 190092 270385 134122 56078 53860 2753 41654 438745 phenylalanylvaline NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 20675 8609 0 19659 0 30211 0 20438 53391 22131 5081 25282 7388 9392 0 0 5101 0 0 0 21876 0 7963 0 11897 0 13321 35373 16898 3479 0 13506 9332 0 0 0 6269 4809 7189 7004 0 18929 0 0 20549 9262 22320 6187 47304 7506 7094 34497 9610 1896486 5670 14877 5821 0 10472 20488 27387 8045 0 8572 14288 18395 0 0 11559 7254 22733 0 0 23402 5575 18198 29633 0 2452 3217450 12181 36867 8577 13606 0 0 0 4276 2656 0 0 0 0 12518 2149 40298 0 11560 9174 pheophorbide A NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 255561 0 0 178829 0 0 53026 0 0 69553 0 0 0 0 61065 23138 0 34161 411945 0 0 0 0 0 0 47654 80146 1338683 257877 0 0 0 15264 145729 0 80146 154915 0 0 0 0 931308 29250 0 0 0 0 57275 0 0 0 0 37283 0 338270 0 340447 0 0 12891 0 0 0 0 0 0 58810 277636 0 0 0 0 0 0 24482 37934 41832 0 0 0 0 0 0 0 4392175 0 0 0 296574 0 90738 922913 0 0 0 0 14354 0 287732 0 phytosphingosine 2380889 3447734 5181188.5 7593957 14996815 3649435.25 1673660.5 12310149 17089440 12110675 4873426 7777650.5 8315735 10612127 4326469 5580329.5 8642206 4254567 3651698.5 4457235.5 1894889.375 7526804 2680072 4233175.5 2632021.5 1539833.375 2533408.25 3957592.25 947046.375 1479604.125 1266047 828820 4491795.5 1095686.375 1719262.875 2241787 1827136.25 8318174.5 4400415.5 4113928 1785422.125 2814117.25 4350624 7836606.5 8055810 2146737.25 3156054.5 3417326 3897138.5 3675640 3427169.25 5138047.5 3651698.5 2713526 6428251.5 3653961.75 6776307 1197642.625 8142704.5 2847095.5 1568767.875 1654301.5 4175641.75 3636587.25 826213.9375 3466736 4202736.5 2389474.75 3656090.5 2092972 5728272 5492997 1375467.25 10206942 9784953 1759767.375 1964242 7377461.5 1440308.125 3305028 3184217.25 1686954 2376580.5 5677438.5 4752102 5624823 4859137.5 3770485.5 1500193.25 2805949.5 3195656.5 1670741.625 2992735 2329519.5 9346164 9426700 6781487 5505484 3852794 1298970 10226467 34922944 2983077 662927 4192998 9128674 347130 2244334 7571288 5042280 7712714 2762490 7406723 2039476 2933789 31725138 6491129 2075727 4582460 4239668 10674607 4468461 2740839 2421787 10066469 6258945 2196893 5673338 3975281 1063783 28013186 2487315 2966045 4246163 6377894 760278 3618949 2440259 4007285 4041623 1582153 2060936 3660902 14217819 1133740 11369845 4216333 1310164 40825620 4423313 46887060 3673549 984257 10650910 2444301 3242550 1681292 4983776 5024723 40443356 1493427 3310335 4216333 3930943 2986112 6449482 8292053 20627352 2465565 4470256 11304609 6122464 2034993 2376254 2486719 587888 12283429 12907536 1703010 3537174 10788098 5130693 1709409 15704806 27330416 8532534 8297787 2766378 4193096 4988455 1594260 5283107 4891584 14429182 6961973 2059846 pipecolate 6467629.5 9978775 11651621 2284363 3909629.25 4386669.5 5198481 11032508 11662980 10334901 18860170 30008270 7004790.5 8961586 10184705 5823255.5 6974752.5 5796670 4471450 4874577 7698217.5 10224380 5868601 4866067.5 3751072.25 4208188.5 6835221 4005229.75 4257644.5 16182673 17327522 3134449.75 6608037.5 2825197.5 4582819 6748446 5382382.5 2180056.25 13135336 12135776 3530410.25 7734875 6608037.5 3524184 3415400 4085036.75 5020058 5315424.5 5418033.5 5926241.5 8770452 8135781 9218248 8934359 14929564 3712787.75 6105297 11726937 13442933 11861369 4295324.5 4131853.25 9685091 7477500 3923413.5 3022321.5 4972556.5 11976444 9568706 5463695 9936339 14819656 7909193 9622034 9284029 6482747.5 5522132 2140484.75 6312819 5584263 11097592 4844161.5 4331864.5 5074783 5403519.5 3175624.25 7699396 12249801 10261872 13794978 9487663 10911983 29595350 28784032 2657968.75 14944289 2283775 6745055 3506689 4690987 7330783 3085564 2506618 5641431 9110481 3018640 6104524 2096596 3756847 3529329 8338798 2580798 2451793 42546668 22008558 1670667 5389911 14677118 3782639 5956045 2474086 11706834 17135136 8102540 3011906 6556725 4427867 4122887 1661793 8661829 3563863 13911899 25953264 3842675 4610293 6688300 12096612 1738593 4880633 3858358 8984052 9772958 2425979 8167161 9261857 6884574 5989274 3418483 9381994 3046691 6943775 4874825 3742941 6296981 4017714 3574992 10037708 8107479 3134510 8107981 1137608 9106164 3536314 12182914 4331208 13276607 5298199 11123081 1738365 1628798 6062108 6647352 4271926 4426977 5851498 3153881 7328856 34894412 5070009 5298199 6157001 5217138 2862156 5789747 5485288 12115517 6056222 13004376 3153469 3730801 3481744 3959909 3181167 1640521 5848775 5379259 procyanidin B1 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 7264 3533 202634 27705 0 14539 249028 7960 129645 207310 6035 13488 53905 0 11925 5549 0 15080 0 5702 0 5183 0 14294 0 30017 19944 12319 0 0 0 11488 268642 0 13372 0 0 0 31310 6358 24393 2232 0 20103 434045 3667 5656 0 0 0 8415 2089 0 108052 6149 8358 26761 0 0 0 4598 0 0 258473 0 158351 13372 21574 11932 3953 5951 108692 243350 1635 3985 33643 0 4242 25544 9138 2075 0 0 3857 135170 9639 14819 0 9550 88021 26447 0 5927 205787 0 124506 6112 0 0 procyanidin B2 35970.5547 19343.6543 0 0 9268.2715 0 0 0 0 0 0 0 0 0 0 12033.0029 0 0 0 0 0 66006.2813 0 0 0 0 0 0 352141.3438 605565.3125 763363.625 134303.5313 0 0 0 0 0 0 0 0 0 42705.2188 22981.5977 23088.9961 42189.543 0 146037.7813 387092.3438 72378.7266 0 0 0 0 0 0 10533.2656 0 85709.1016 0 0 151020.8281 72378.7266 0 0 0 0 0 0 0 0 45775.2461 438436.9375 0 0 40004.582 0 42546.082 37068.375 72378.7266 0 0 0 0 0 0 87651.9922 23143.5859 0 308637.5938 1826628.375 2645907.25 977302.5 282360.1875 726655.5625 0 14812.21 83816 149191 29950 4995204 1255913 3388 109081 3708497 25096 53123 1040099 71471 166618 460937 6771 88129 21648 8101 23444 1885 31538 0 28639 22422 44892 0 954948 211486 199634 13745 4494 4301 155502 3117793 4240 70659 0 0 8733 85421 5687 252797 56052 5840 214469 4440764 85824 86971 8217 0 18466 146247 148160 3776 852533 139737 86485 355383 19941 18528 18537 53593 85034 9748 1433229 0 3021630 616719 82598 102847 20320 160851 891203 1928677 9833 13347 154632 82211 0 387816 55058 49851 0 0 59541 626749 44645 111422 12986 101882 560970 173581 46163 108745 946564 61852 750718 4463 0 0 proline 71954576 78681480 87093392 31536778 46552208 76268480 127872960 78567912 54743044 86835576 47793356 55719376 35407304 42094840 72007368 72060176 128412104 57858116 86670112 59977944 25645508 39652616 52273512 68553712 62812172 81382856 85913248 111524864 85971888 94207264 175402080 105189768 101281880 70188856 86585536 55859896 43354020 74088976 74852160 77709648 37080504 38594516 64941940 56164668 60698268 104089728 81178248 89241888 111291032 85513968 91207120 47907448 135670464 94811856 49513692 85394704 98035040 79567432 52257972 123234280 30748386 29979220 57837168 59453020 81880984 63320612 62001092 80379120 68291760 63058688 42967220 54759404 73685856 73675304 61571344 50535604 38363196 37080108 40567920 33496410 70805968 72007368 80597968 54913720 99481208 12598553 88846048 63942156 116021056 188632800 138791328 172147952 93849592 102326528 77789816 50877368 72091600 89757832 66671572 71547264 114929376 72227512 74413128 54737788 61544452 77572320 56870056 80829632 62665136 89962832 71749848 67990312 39532536 80131280 60745364 92631608 56246748 26652692 35944844 81499080 38919624 35525352 73741960 83786184 19733752 36823588 24776616 76391440 50207708 84576872 111537392 56765644 49561196 95212560 77729976 2627907 29411192 73861784 62353864 53469212 96324272 108882048 39702664 54301596 110931600 44905448 64165952 94054880 81764496 44756232 57725656 58781676 56572604 37903808 67787752 104794720 95326712 58131992 66336068 63889844 21297900 31997398 61400956 72441192 48478816 50414556 70150088 53279608 12987143 38616608 40545340 69870872 86965368 95619240 83329720 65891636 61988352 64165952 62440264 21129276 83234128 36513208 33223920 53147716 52550892 36480200 85237072 81738176 81512168 75623584 96943728 80203976 89811424 59284060 95216256 86263616 pyridoxal 63002.6445 29478.6387 88590.6641 50722.3242 43660.5781 46683.6289 30715.7402 59071.0469 35114.1406 16359.6436 56303.3867 22113.8145 27153.0566 42348.8398 66131.7578 43103.957 46117.0781 61134.6133 39739.1172 46732 33614.0586 44139.5195 36112.5273 36301.2031 25262.4277 38651.0703 42252.2461 40424.0391 39518.0078 34368.2617 77781.5 62482.207 35609.5273 32576.9707 18170.0391 49084.4297 22759.2461 0 15471.3809 19886.4961 27365.3613 17567.5254 19738.4258 0 22841.3398 0 40720.1641 29176.0215 27019.7656 25172.1289 22504.0488 26333.6289 53811.7852 37423.4648 39517.9375 25889.6543 34189.1328 83567.5156 46158.25 42466.4766 52288.2227 46609.4883 28973.3613 45363.3828 49891.3711 22825.6152 34832.4063 49349.3047 58204.1797 60600.4102 28640.8594 47429.7422 35695.1719 54623.1094 65369.1016 43365.3281 29984.5547 56449.0508 34538.9336 38714.0469 39295.793 48396.9258 53384.8281 38873.2852 24751.127 44264.8516 27713.9609 28179.877 42743.6133 39084.5391 23962.5879 33337.4453 34291.2109 34495.4922 55119.4453 63290.3008 11090 20261 13498 15924 32153 63626 14041 9325 24365 27725 11829 25058 86258 20273 23991 19112 51167 20780 17555 70040 23471 22375 15869 10265 50365 19704 13591 11543 104657 20810 22310 24022 9689 23835 77596 21020 20872 11021 28646 39533 23647 19902 7909 19420 32093 13553 20320 0 28495 7434 20805 39063 15400 22662 11472 17007 20430 20782 17034 15785 44121 20529 14455 22346 16486 15545 18032 7599 19273 1992 20267 26443 21726 6996 51402 14779 16314 20969 12975 9116 22833 16381 26910 10404 20104 16739 38605 17523 10873 15049 12112 37723 14387 22872 20407 21629 34958 22396 6610 18108 pyridoxine (Vitamin B6) 836613 806551.625 581473.5 818516.9375 782743.125 610310.5 724605.8125 634418.6875 415440.25 583480.8125 731093.8125 702828.4375 1047382.625 960852.8125 622643.4375 750190.25 958867 681079.9375 484762.5313 553976.125 810784.875 802008.125 831087.1875 737573.0625 599713.8125 789770.5 1103268.875 687656 681977.0625 1089950.375 1280305.625 671283.1875 774722.4375 763008.0625 748952.875 839668.8125 613047.875 841911.1875 507243.9688 406801.5938 645155.0625 832207.5625 745908.625 612208.625 698546.875 741627 613616.5 594881.6875 807972.3125 811813.6875 806006.375 874055.8125 1116837.625 632897.625 844542.4375 402329.375 398339.5625 880300.8125 592233.75 530074.5 756727.8125 665092.75 591964.8125 615507.6875 524070.4375 573034.625 583632.5 1566029.375 904210.625 830408.6875 565974.875 569839.1875 572547.1875 1237336.625 757415.125 719465.3125 491579.4688 528755.1875 529075.875 477199.4375 859704.0625 781484.6875 745908.625 548033.875 737824.25 1500198.75 817220 1047737.4375 1670013.5 1003406.375 1026660.25 1862428.75 1048734.25 1058215.75 952582.1875 872576.5625 764095 1050787 769134 547000 769134 429331 494801 426207 1153197 720407 74117 1080186 711644 1276562 1730162 779284 648004 1183092 886526 958223 604615 778355 1017263 944598 509710 603251 1530702 857238 972785 1325555 847345 471759 781391 1166500 653104 1221262 635756 469055 620179 862126 758984 1267279 910567 587069 1658708 1185076 474274 472840 875866 375743 893767 757588 1000242 593073 457356 939344 906565 787494 802275 874854 1308600 1101173 614943 464344 82762 782118 705977 755742 781938 555142 846937 1137082 198084 397067 490445 815157 669515 1066312 616615 93821 466404 514859 906481 703535 755494 478569 266063 462385 386020 1107737 878826 996202 759650 915274 732248 823440 925374 651279 997066 613076 pyroglutamine* 2211233.75 2456588.5 1458858.75 1387934.125 1940284 1110896 1260984.125 2718067 3049064.5 2482835 2294032 3639438.25 2589341.5 2246887 2199916.5 1979658.625 1936607.625 1686440.375 1780270.375 2331652 2471564 2809558.75 1771049.875 2084463.625 1168848.375 1342842.375 2023676.5 851570.6875 1314498.125 2635433.25 4808533 1213063.25 2744802.5 2578760.5 1976212.75 1721067.5 1899320.5 1735027.125 1657620.25 1506486.625 1433913 2368996.25 1722876.125 669400.8125 978239.9375 1352004.625 1558799.875 1556053.75 2452956.75 3402888 5032339.5 3589345 2073675.25 1449542.875 2260753.5 1311639.25 1388778.375 3459982.25 2184669.25 2451262.75 2417109.5 1615664.75 3154862.25 2937027.75 1128906.875 746973.9375 1444921 2298297.75 2754235.5 2227158 2852845.5 5035348 2062886.75 3810648.25 3579522.5 2555061.25 1841552.875 3077779.25 1810964.75 1686091.625 1823749.5 1300865.625 1639442.875 1679828.375 1781650.875 2073675.25 1775428.375 2461708 3124432.5 3482236.25 2423187.5 3070105.5 2754218.5 3134657.25 1652871 3881959.75 1315392 2906111 713356 2137928 1199993 912047 796169 2127699 1675970 1196345 2014864 1544271 758876 3282337 2807796 1878385 409950 2452433 2813268 333786 1038222 1156359 1240711 924314 714561 1688510 3432837 2293659 514912 1827062 945178 1168011 1589034 2507533 506473 4942565 1792122 1481914 1334802 808887 1335368 1573853 1132646 1875044 4113157 3494151 616735 947399 3449835 787165 1872198 1994012 2534180 933938 1325119 2473973 846860 1412872 972010 903025 2644866 2137344 1359200 1355325 735033 1896321 1386308 1408068 1229259 1939926 2325150 2315232 381181 242856 1311692 2135509 902639 1398897 1695844 1426847 1903694 2972533 2283315 1051650 2459910 1710088 1012522 1279936 1516052 1674665 2678390 1150029 1412872 1400285 1177422 1367888 1066554 1470867 1628812 1640073 quercetin-3-o-glucoside 544975 179814.1875 31325.4922 159957.6406 14249.6416 46639.4766 106761 3263.0828 51482.4531 40842.5977 35164.7344 246007.25 39776.2578 4540.3545 241736.4531 47956.9258 15021.4014 480268.0938 21044.8535 220421.9375 1386739.25 1392749.125 16941.1875 613253 31778.4707 83402.2031 113731.4844 37464.9648 1120163 7160376.5 3766365.25 748223.9375 146121.4688 394425.4688 143287.5938 30865.1582 23997.0352 37423.9336 70024.625 0 63539.625 160398.0469 272317.5313 34441.5859 50249.8477 133998.9531 162521.3125 532218.3125 959608.125 295438.9063 210143.5625 28884.1016 412069.25 97783.7891 83043.9766 99397.8438 19314.4785 745725.625 91167.875 24352.7813 739718.9375 123243.1172 152576.2344 30882.4219 0 5258.8081 0 198856.9844 205873.6406 296496.9063 626696.3125 6718161 81670.2734 251940.125 1170798.75 88429.1094 943122.6875 646843.3125 226280.9219 46166.168 41082.6133 18587.4785 36929.1953 76359.6875 69506.625 357336.125 31085.9746 473474.625 2302833.75 496902.9375 932846.75 391099.8125 476952.6875 646967.5625 8246.8223 1375627 90229 551125 4102337 1543869 226594 88032 259715 107100 462575 18406 301579 98402 3693498 3483164 606809 3059392 145204 21090 1025078 35840 339933 552185 1156348 45293 288062 189125 945831 7436743 6567789 266745 172406 54889 707216 1528957 91094 1810964 389704 259547 155045 3095597 26945 402350 52783 55202 448432 512891 34504 629194 93289 77246 31318 264406 465061 44417 1348886 631204 883935 102423 41379 308786 318839 30418 70013 128439 1551523 114751 4242987 740934 264551 259631 152295 132047 238533 708665 1321338 945075 709366 105419 0 41010 4146004 16690 108868 45171 254856 224889 13521 406514 335183 17375 190196 166586 111957 148490 1239408 644565 606335 25050 111100 4434 riboflavin (Vitamin B2) 55024.4414 51543.4648 32871.2695 47290.1094 57329.043 0 16416.6035 51918.5117 34445.7578 76510 116476.0859 112269.4609 0 15834.2637 161072.7969 41190.3828 81361.0469 77724.4531 38359.5391 33421.0977 60148.3477 39526.543 76596.4844 109597.5313 63041.0508 147720.5781 57417.8828 54964.4102 19124.3262 0 0 43036.7539 216897.7188 20900.6016 32637.2305 0 40882.1445 35546.6875 37787.1953 40633.2617 0 16752.6152 76068.5703 0 138675.4375 24459.1426 0 23185.291 0 0 0 21595.4551 123271.7656 30847.7949 27219.6016 37150.25 60663.3438 23123.5137 0 73730.6953 0 18654.1543 0 100753.8516 103831.6797 25690.209 36310.9336 70632.2109 30522.2676 30718.6445 67022.0703 61744.7266 0 75424.375 45425.5313 126220.6094 28605.6016 206986.7969 30929.6133 23098.418 92833.0078 24769.9824 57259.3516 130488.0078 16840.5918 32545.4863 61074.7969 57816.6055 0 20838.0117 98022.7109 93655.9063 33497.168 43230.2539 49154.6875 0 32515 276332 39083 3329 68890 10025 22262 2376 62198 33696 3608 62318 26072 14669 11989 121781 84403 53980 39511 175079 11041 286060 30511 113394 74357 45120 11712 18056 89966 32740 5202 30171 98025 12998 85921 31456 4921 23809 74805 9516 52943 29744 41000 44384 17049 53505 16292 21207 11097 28350 10176 9598 82330 0 376676 26580 25523 30145 29839 28738 63721 3661 17319 33245 17638 5379 44486 92356 2718 11336 27428 31456 45837 12849 49924 92226 21674 16530 50005 0 404268 67096 110563 17963 215909 50368 14303 29921 87317 33425 53941 23225 26528 63251 35409 55248 18458 52040 92385 19541 rutin 258135.3594 133814.9531 31121.3867 124085.7422 21520.4844 14430.416 37664.7305 0 46567.3945 54266.5313 29575.6133 158106.2344 35842.1211 5466.9849 419132.1875 84712.8906 45523.1602 131691.0938 9453.1328 179782.5781 252311.9531 339475.1563 31872.2441 315363.4375 45524.2188 47412.6211 103646.8906 43795.582 523230.1563 1961861 998033.8125 825567.0625 194676.4688 586401.625 362550.6563 50029.1797 57813.0273 53305.7109 50566.9023 0 90828.625 314462.0938 111497.5938 35433.6172 47088.4336 116697.0938 357268.9688 1305405.75 818046.0625 241175.8906 425235 21725.4648 101478.6719 54755.3438 73046.8828 87896.5469 29701.4297 1645426.25 46889.0859 44386.1367 288262.25 134639.8438 191570.4531 93369.1016 7131.0391 7169.4165 25342.6484 119421.4297 347047.625 819155.8125 447938.9375 4366562 33183.8281 120541.4609 1093323.75 151293.1406 642348.5625 1233627 423638.4063 48165.7188 29843.4824 6422.3989 24333.6309 72951.0703 115577.0625 292336.4688 29722.6523 275994.4063 889838.4375 599648.5625 1722063.25 243601.0313 243558.1563 676738.3125 12384.6885 589891.25 192199 1121652 984478 1067203 107374 218366 1207349 86888 363844 53137 373377 257287 873245 6307381 529323 4194442 192189 13867 1821038 63721 308002 340098 1421760 65188 375408 189908 803674 7421244 1332492 919937 335762 137315 1843145 1995305 95869 3220405 541700 793462 246238 3079612 45989 612010 34039 481109 1741047 2716016 141819 1164191 269956 158041 108188 833215 394557 63815 1999253 693830 617963 313907 293784 377439 609518 46977 117429 174456 4868009 488124 1315836 611794 305500 438755 179407 372092 357130 739877 634261 668778 1145464 200309 25013 227529 2627093 17555 199605 176106 370679 499959 33881 552279 835927 14647 637603 355491 127808 161815 5575656 927749 946552 242737 375408 60893 S-methylglutathione 792437.375 1339617.75 73209.5781 209089.6719 74915.9922 229088.4063 589025.4375 325767.6563 488407.6563 219538.9063 117578.2344 461734 1201059 852879.875 208910.9219 238837.0156 221244.5938 162537.7656 327322.9063 40369.6758 29142.3203 65994.8672 15378.0469 142577.4531 85973.0703 0 338750.625 136874.5 747177 86815.4219 740770.5 239426.4375 68200.3047 386777.3125 450360.2813 156531.7969 342459.0313 0 123944.2031 67537.2734 184143.4219 431714.4375 0 0 0 443391.875 172279.3594 224294.3906 1406614.125 1212563 2748294 119162.6328 239426.4375 456572.625 506760.4688 353258.1875 139926.5781 2867324 82331.4688 1124631.625 219700.2031 146694.4688 967657.375 1140331.25 26463.1445 0 31700.041 274953.5938 745420.6875 559105.625 286688.3438 1917844.375 88464.6641 2266016.75 4431840 68223.25 143463.2188 40045.9375 104273.2422 179210.7656 170668.4063 27227.4102 82560.6953 110044.6484 1097927.875 55905.9258 482788.9688 240015.8594 621073.9375 733258.875 536708.8125 995845.875 2232435 4334563.5 71440.7266 3119573 1212680 1603814 1377371 2736611 898606 319185 2519041 3183275 522483 1308137 1585706 291551 974633 105041 1741863 100027 242205 6033669 3285646 0 72365 24801 11340 1186133 620593 102606 3514524 3665612 485912 3044163 315061 744953 462369 3657261 94127 3388083 1467084 1669929 217708 57966 14663 785525 985829 619372 2679946 1575313 1073052 441902 1464677 388627 3441374 3524258 689751 55600 137261 52798 2942822 1362732 334714 238028 286820 94679 2014388 199244 464236 201981 2405070 2702828 635581 271301 2770832 3606786 1552078 1353447 198724 746071 3843604 2647707 1661362 2740368 1109320 21249 99374 287115 297445 1730189 1929152 2531559 1512481 464466 2547323 1325313 825003 970721 3444284 895951 1524130 253610 1456528 3967669 serotonin (5HT) 652840.75 456262.5625 898623.375 77266.8672 46763.0977 215406.4844 166938.3594 249619.75 184876.7969 35198.7734 0 60667.4141 651840.375 88884.1328 214286.5469 73671.8906 36402.043 179599.2813 413563.2813 157956.7188 0 28699.0996 0 0 0 54803.0078 968242.9375 803856 214034.8281 407671 1174178.5 203239.2656 0 20078.6719 0 0 0 0 0 0 0 55458.5859 0 71820.625 32900.4336 1698601.5 368407.4063 226429.5156 237452.5469 580893.1875 609096.9375 12338.0723 291300.2188 773935.6875 557576 421753.9375 212646.5313 1007120.8125 33982.7383 402352.9688 126172.9531 77012.3438 573813.3125 288663.1563 0 0 0 129651.9922 385572.5938 163699.3594 424494.8125 1196268.75 83619.1953 2269516.75 2500237.5 0 72593.8906 42975.1523 82824.5859 69675.2813 146018.2969 79188.1406 241520.4063 200360.7344 351507.9688 0 883569.5625 54283.8789 7334722 2672113.5 5432518 2253870.75 4370950 8294929 149049.3281 2314517.5 3258996 11262938 4740619 5550164 5380195 2254978 3132575 7878364 527778 13338062 11933269 2189648 3096709 32980 1544701 7753 1421831 6931658 4040898 0 202792 43265 69573 11232895 4677258 14673 12575147 7543269 1926030 1748052 33434 4604122 16127 6112911 1607587 2317382 481961 4087411 3010907 20836 144339 937998 1596545 84920 8045143 6743335 3443351 2203148 51478 1160983 3420997 8759111 13526953 24352 4630602 32606 1522135 4133014 171031 1060411 197374 152132 4771991 2676295 3679747 0 6416346 10578088 1331594 3494425 409478 974649 10949943 12989526 3507085 6146815 2424449 7753050 9629575 9158881 0 256686 8618 13829 1293967 11367736 8391422 7100539 4144488 405020 6439727 6253934 4134226 3421283 4220685 3531646 895064 1215417 3918248 7405872 serylisoleucine* NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 50838 10702 13579 48730 37707 31963 23313 3446 11623 168600 53807 0 29219 5603 68030 0 33070 81190 32035 4551 17847 5660 13900 16541 21945 12231 17856 88425 19416 25376 12677 3072 30822 43535 6943 20031 13099 38718 3797 0 0 16384 22596 11166 24139 17697 11930 17936 0 19988 3248 33708 41682 0 229125 0 13883 5441 9229 9823 16901 2387 16477 5699 24043 4793 25457 0 17892 12795 24454 30393 40395 10791 27736 17907 17892 19660 49610 41842 815087 8994 32892 11585 4158 26362 26288 7575 6311 5574 11820 15052 11008 11649 41533 13204 57800 6416 76760 65457 serylleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 268499 82210 85660 298033 252767 289277 199783 56743 92309 1125713 375866 29266 151068 15930 323564 19998 99777 427643 111241 42627 109430 57437 53299 145049 75207 68976 129129 416330 156536 148910 80649 34535 187669 223844 67778 104958 89703 144503 34557 11777 31006 86482 133163 66072 160071 86681 87701 160774 35991 148153 115610 318213 307500 25467 4408350 11203 104730 57353 54511 121847 152995 29230 109430 65821 183655 40384 231583 31160 83610 114878 156822 208816 210874 104849 349792 134212 153047 120110 210308 85691 8848008 69053 395561 68494 19411 239407 86873 50514 45647 47405 114130 238202 87800 88792 282250 74238 472236 54325 390177 323830 serylphenyalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 27088 11764 9015 37365 36522 30067 24411 3719 6185 104008 22167 0 30168 0 47683 0 14054 108693 25680 2498 17093 6929 6804 11494 6169 0 8999 72237 21111 17962 8638 0 33273 32801 0 16672 25234 19070 0 0 0 0 16672 9107 16131 7939 7692 16803 0 21944 4392 23093 30784 0 550749 0 6677 9940 6257 9910 10748 0 7884 0 22938 0 17082 0 6607 14078 13137 21047 43516 9488 18840 7911 12472 9889 42604 3078 2135605 0 51547 8018 0 16672 3034 0 0 0 6457 23254 6823 0 50351 7536 43989 8082 72613 33754 seryltyrosine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 34350 13425 12648 45918 17765 23266 32664 7057 34651 155059 21689 6765 37361 85418 71892 0 17602 100311 26307 4263 10231 0 21534 23111 14729 0 42691 55980 25338 39831 6342 1737 64822 45552 15134 24305 32336 28288 2571 0 0 11106 22400 16646 86448 18942 10747 25246 124050 21081 13539 32880 27798 0 356436 6229 19129 6306 26455 38331 74355 25123 13785 18227 20222 0 21520 7824 19016 16108 21931 23699 41695 14467 21148 15754 27286 27069 40082 15117 1105638 80208 62103 31872 3770 21349 10274 7707 4677 13218 23629 27213 14030 17054 43866 13806 39816 19966 92927 65851 serylvaline NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 72225 33739 33006 75802 50365 57307 40794 5763 30018 313944 57721 8453 47534 4774 129586 7824 57438 173683 56047 17967 36269 0 11955 36272 54789 10099 32619 150901 34279 47414 14126 10474 42450 74662 20885 34457 21479 59521 10813 0 0 34850 38690 19212 34325 22021 14363 49548 0 38679 0 44846 58802 0 387185 0 30223 16601 3804 24526 21340 6867 34457 19965 52516 0 47733 6315 26595 38144 46843 62028 75150 25751 68157 41856 38228 45191 74374 16039 899188 23732 29292 13914 4308 52629 49452 18033 16647 13091 26983 34063 22917 24809 69976 23927 111147 15264 134916 102842 sinapoyl aldehyde 449926.1875 313633.0625 435388.1563 215758.125 222478.9844 184547.5313 188707.8438 581669.4375 629833 568902.5 439531.5 690023.9375 308981.625 222035.2031 533083.8125 317436.875 426828.875 512494.3438 197390 276410.5938 420656.0938 771848.0625 349059.375 522317.625 297154.9063 365075.625 488851.8125 526036.75 336418.5313 845978.5 876467.4375 919626.5 397165.6563 383747.2813 405402.1875 435161.9688 288306.0938 167573.5938 0 157776.9219 303017.8125 393959.375 126824.5391 292775.9375 264250.1563 159075.1719 514301.7188 569146.9375 531293.3125 559041.4375 843876.4375 563316.5625 490558.375 369484.3125 304353.25 312417.125 339493.375 499749.5625 436412.5938 420656.0938 527553.125 494410.1563 322175.0313 501531.9063 420656.0938 689968.75 533278.6875 328594.7188 291233.2813 753805.6875 647604.5625 678617.8125 335586.1563 921985.0625 935727.3125 453041.75 341675.125 1191541.125 344834.9063 370411.7813 468326.3438 257843.5156 492849.3125 337659.3125 508659.7813 311515.2813 324530.375 649917.4375 308644.0313 263124.4375 409601.8438 277005.4375 457122.5625 533620.3125 252907.6563 1129955.875 118999 582710 82823 169703 844303 670915 45872 31399 550120 110411 108501 402992 19700 870433 80548 309092 421013 385781 523213 879177 416947 210805 490079 112097 456166 253866 79062 301539 90009 221559 345867 68483 506724 174375 893225 544377 192114 230285 143816 781725 311133 133923 210805 428521 532987 192709 28050 53976 50238 114225 75900 45192 190174 254353 315452 238016 219923 130595 73317 271395 761547 200228 70116 214428 59618 181577 60776 145625 467014 299202 139553 502131 276055 277587 329532 542974 184334 201686 191672 39558 460322 269597 284006 122041 154253 341666 93419 118338 316045 187363 162541 264225 186466 406294 212287 69620 327638 175823 83317 50572 sphinganine 310777.9375 234665.9531 297024.375 435960.2813 529109.75 172364.6094 91692.6328 690832.8125 367637.5625 722824.125 140210.9531 963574.1875 455759.2188 464016.4375 201094.1406 457214.5938 466379.7813 933073.6875 157238.4375 89713.7891 230010.375 1948084 123786.0313 444279.3125 129493.1641 111761.5859 77695.25 60923.3398 147729.625 133905.9531 202897.1094 95485.2891 444436.1563 120412.4375 96575.6172 120281.9453 83966.1016 140598.25 151564.4688 152727.1719 121543.8672 247166.375 53448.918 199218.0938 621372.8125 129860.5547 200102.1719 249145.1563 562230.4375 215325.7813 232024.3594 275110.75 163245.7813 262912.5625 416563.4688 128397.3281 158205.0469 232776.3125 577801.625 154842.5156 205692.0469 202897.1094 315333.4688 189143.2813 28473.6406 108279.875 186393.625 65468.582 158653 115986.2266 451516.3438 2671714.5 122919.1406 1126452.25 666987 89854.9922 95268.9531 1347826.125 95584.6094 241585.8281 261126.4219 89681.4219 133155.5625 274381.3125 217593.2656 120873.1641 296839.25 291660.8125 87638.6719 322564.875 199731.3594 503356.8438 242059.2969 265076.6875 177345.0781 963835.875 192393 224420 140457 120199 146025 345616 79016 86596 254209 140609 53309 48923 103486 433626 1554624 68054 857244 71822 153116 914816 131034 91857 192237 81607 851917 97191 54276 40499 658999 370417 161275 113537 311033 74434 517791 358400 62163 64799 140212 70102 95077 75313 88871 90344 178718 103050 140457 144153 32657 161473 90866 91391 679773 110877 1024238 730524 55889 377282 66640 613494 104783 143345 90220 770808 108037 91271 168349 242710 120055 351476 278500 1864605 232362 411249 387780 202139 112219 113924 51074 63231 196094 328838 56097 97989 280332 576534 478570 443234 3202300 188438 169129 283253 110005 125286 96895 137411 140305 150987 90135 34753 sphingosine 98149.2813 138807.7188 195306.8438 304827.6563 512067.875 152339.4531 67116.8047 457466.75 664964.4375 451666.2188 204303.3906 287679.9688 323884.8438 401511.25 162815.9844 216517.5469 287266.5 174836.5313 121767.0781 156658.3594 83276.5781 302844 115157.4375 165855.25 112719.1797 67323.2344 99923.5 154674.6875 46812.8594 69436.6406 145344.3594 47630.9063 156250 51935.6406 67610.8125 90216.5 83698.0234 312567.8125 192181.2813 165647.1875 91633.7031 103776.5234 156493 326201.9063 263972 104765.0703 141035.9688 139336.7344 170052.2969 137617.3438 131791.625 187771.375 112305.75 106041.3984 240350.5938 132097.2656 243320.3906 75397.25 337977.5625 107782.8906 71864.9766 62175.082 170866.7188 139326.6563 36452.9453 139326.6563 137087.6406 102765.7422 119369.1406 88904.8359 236199.6875 233410.2031 60835.707 390347.0313 343802.5 61488.5938 97649.5938 281709.5938 58276.8516 111887.2813 112743.5 78952.3203 79324.6797 223967.5938 154693.1094 196651.6719 230330.0625 147833.3438 67239.5859 121511.3516 114047.375 77711.4375 116145.2891 96482.1484 329694.4063 436054.5625 225188 180358 105648 55484 289254 968887 101765 22794 140270 296120 24761 90574 211715 157516 213812 111190 269952 76871 116701 921212 205041 100885 151462 159660 344822 155460 95001 81156 284317 189649 71016 183534 134469 42332 839460 99875 105552 150909 197512 38735 119056 104186 95149 133131 65073 75006 132465 405960 43988 344164 142541 66280 1230835 144101 1560174 140980 62464 318873 101136 112775 48290 153920 142541 1236908 57445 91306 142465 150794 121258 181006 257082 558034 64429 196959 376075 189286 78386 81031 93081 38382 370037 377572 64453 100623 339021 160769 75033 479536 860479 270053 236909 72440 134625 157491 50000 156213 156130 369151 199768 61705 stearoyl ethanolamide 162788.5469 228349.375 256610.0156 102202.375 97026.3359 140689.9219 152296.7188 85088.1328 189274.5469 191163.625 98031.25 106226.3438 150432.4688 144342.2656 107419.7813 108126.1563 154188.6563 94823.1563 192376.9531 193094.75 174001.6406 103984.7734 198153.6563 333759.625 155826.9531 137726.5469 191453.3594 181537.4531 142319.375 64884.7461 80862.5547 129859.6172 80399.1406 97344.1094 73992.0859 144264.0625 130018.3984 426392.9688 281609.8125 206093.0469 112348.9688 110610.3594 123506.6719 720472.6875 257279 137570.4375 158535.5 203686.9219 306581.5313 154160.9688 100493.1016 143103.6563 273535.6875 91460.9219 132905.6875 198373.9688 168956.5 181827.5625 96914.3281 113914.9844 146203.7656 94186.8672 187027.3438 155565.6094 175181.3438 144560.5781 148532.5 407369.2813 260788.4531 202077 126131.8203 78736.6641 88888.0938 347545.2188 255690.4844 174980.2031 154483.2813 152296.7188 108392.2031 170647.8125 111206.2109 87469.4219 70296.6094 143550.1719 117493.3516 27158.3574 89235.6875 154310.8906 284967.8438 397531.0313 490749.125 543369.75 470071.9688 491014.625 307666.375 493481.8438 154941 142040 61131 77277 540637 447702 94320 79798 158675 173094 52339 149477 286157 84599 297411 85539 101763 130482 313706 764141 123181 413455 443467 124514 71628 299819 170423 232505 387413 140279 115407 88795 449094 171660 181522 181296 239717 111481 174515 225279 311153 186662 114659 141594 224223 401939 79742 177469 142966 123698 102053 176983 305475 100684 67372 56243 64657 101672 80488 231885 178738 222386 47196 149477 36939 267276 77404 91824 97398 211777 224882 286271 63104 76182 178859 128663 174988 86546 127520 54175 44662 113882 216918 177687 160281 84933 61725 42555 52881 247109 172096 341452 123539 175079 386219 313483 527209 155815 117626 72092 syringaldehyde 1580880.625 1234374.75 972150.5625 469854.7813 737023.5625 917474.125 801818.625 1083351.625 1432202.75 1508553 955858.875 1751682.125 1068685.125 1241218.25 1007215.9375 843164.5625 778443.625 818405.75 1183195.25 653731.25 1065885.125 2082742.125 1250456.875 655119.4375 564359 393123.6563 801028.8125 1158609.875 1185171.875 645504.5 917708.8125 1325479.875 931377.0625 701087.875 606335.25 1350171.5 917708.8125 705160.375 1202474.875 1130301.75 873217.0625 888859.9375 677378.0625 1369441.25 1171888.625 917943.5 1350922.75 1778173.125 1304026.875 963138.125 957622 486456.375 645031.9375 498248.375 500439.75 591723.125 810753.1875 597693.5625 823821.5 530565.6875 536961.1875 413340.875 1999464.5 1755438.625 783297.75 1102099.5 1020980.5625 673582.25 431803.5625 801351.8125 1717738.375 1768336.5 790141.3125 1869920.25 1329603.25 1136939.25 677452.625 2857445.5 523641.4375 554399.125 630526.4375 798770.3125 956245.0625 449894 812646.125 410127.8438 326923.3125 992768 755820.1875 874111.0625 1138278.25 829904.125 1218093.125 1452029.5 1649750.75 1940817.375 860703 2073781 532217 784785 1616779 1614481 900114 28463 2629106 527184 257305 2057971 541218 1553223 2272300 1354484 767726 1328609 1774370 1959968 1253184 1723099 1764638 566363 458643 900114 786019 1258811 615175 1404751 919215 860319 2214852 544873 1290617 883692 454456 1624750 1945715 1277352 974113 1647563 1140282 453510 526216 454602 292836 803965 225902 1164172 266087 161080 463037 1263718 1433770 1095467 790714 529865 212725 851333 1681876 1048032 333872 2418371 246501 1451405 228793 594774 1851420 1085605 1981990 1538931 173109 150531 502197 939908 1393620 1107744 588595 70126 1256767 1799847 1209697 872680 1145351 55340 52316 171853 795134 696975 555084 576070 1013977 1362669 1060750 785405 2062083 856411 1210876 358492 threonine 4781380.5 3159573 2365478.25 2006173 4177727 1641056.5 1506541.5 5794474.5 4985821 3182181.75 1463387.625 2641914.75 6838450.5 5860211.5 1268468.375 2642538.5 1565926 743795.5 2235983.25 1391368 1349698 1293016.25 1343617.875 979922.8125 1104204.625 1202714.875 1653466.25 1733470.375 942882.5625 790555.9375 3944738 1759063.875 3495670.5 906144.6875 1881572.25 1938147.25 1663752.5 2869353.75 1817954 1815680.375 572289.0625 1613725.875 1530259.75 4180783.75 2714435.5 4238629 2756386.5 3886947.75 3361444.5 3802934.25 4712066 977423.5625 1862224 1824997.25 1672535.875 7936396.5 9584397 4755067.5 2067453.125 2122185.25 1006087.375 859772.125 3259201.75 2350268.75 1033809.875 1759559.5 1782439.625 1210857.875 1881572.25 1215668.375 3303698.75 8248379 1407215.875 13282057 14618470 755091.6875 1146785.75 1315196.25 1327168.375 1204010.625 1880352.125 919112.875 1154301.25 1275500.375 3855227.75 1945247.625 2844661.25 1274246.875 3200500.5 4499246 4818683 2880068.75 7900018 9196702 6509013.5 7725846 310042 311660 175950 234784 358127 540289 181942 99533 408919 501752 142609 323105 297207 132546 432993 413369 226165 435089 385349 355052 295090 114395 259235 305531 292445 251142 337062 373196 156101 416742 135684 421291 157658 252173 403637 336298 178025 292625 451593 47436 157240 329702 405781 278726 186554 168002 319709 640145 205108 581033 242786 128607 828877 262994 1592657 157530 284819 415136 67100 179550 164881 372971 283260 1129592 456323 173828 144860 505694 336583 853292 665379 363686 111923 149467 293443 416675 137984 296736 174559 72928 884136 525793 221461 254519 861094 308969 205185 525860 875999 664825 274318 192227 295090 308363 121189 287625 200295 645716 475755 236104 threonylisoleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 19309 9130 3842 28149 19078 24253 14431 6401 19354 268936 54409 0 20634 0 40879 2303 29629 41771 21406 10223 10065 5245 12903 21691 25319 13602 15555 51334 10556 34648 10391 0 20136 28880 6500 15555 12121 20041 3354 0 6484 15555 11196 10231 15761 20670 9252 19005 0 20968 6823 41760 30664 4602 674333 0 13702 3795 5536 20975 12766 5652 11785 7776 28619 14425 18238 0 12592 21768 18091 21471 45809 24060 35166 7905 15344 30891 42382 12783 1522378 9834 30250 8939 4130 68555 42770 10436 12896 6546 13348 11096 7567 5339 32407 5072 57623 5999 50211 49261 threonylleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 167802 68839 43178 123377 110684 158863 95222 35387 87084 723002 258022 32949 104561 13086 180246 17870 103573 255111 76968 113708 94143 23966 23760 103463 76028 34445 61635 180702 114042 146871 36778 29886 105823 145287 67652 73702 45238 100766 33831 6392 20144 35296 117531 57200 44558 72945 52882 128158 19393 113179 39996 153450 366849 20245 4450379 7683 73642 38517 40047 53952 60516 20792 43711 55580 133796 23607 114260 23930 48191 79553 160965 98146 154975 73702 146575 106028 79960 181100 108811 36154 6974899 43429 207064 45483 32642 146870 64378 38097 41925 45255 78247 73761 44082 47192 140026 39124 199837 59250 226971 175894 threonylphenylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 38886 8926 11515 33094 29264 39881 26300 6175 19398 285112 34831 6904 46117 0 49407 2558 29686 99604 23000 12056 13948 7526 11264 20282 23874 11763 12081 50548 58326 43597 18367 6094 22889 29542 9017 18270 10344 23888 6387 0 0 10078 19992 14163 21089 19494 13586 24039 0 25573 12004 50241 51761 3965 1787658 0 12430 8904 13176 21294 17061 4219 16063 11969 34182 11273 29584 7389 19397 18190 25484 19553 54080 15222 44087 17394 16626 32342 38820 16613 3347306 14859 116342 11053 7501 31689 14504 8793 6307 6602 18882 23698 11682 11126 35902 11861 62627 6365 71911 57061 threonylvaline NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 71153 15425 15516 67650 50793 49743 34827 6143 29048 337012 50431 9005 27548 6433 100532 4432 60151 147413 48020 10331 25926 10950 22327 32801 63924 31654 30709 123710 25352 62761 16633 11331 51480 54730 15371 40235 24587 57134 6906 0 6272 16853 23972 28908 14765 36152 17015 39389 7211 40160 13208 49045 57662 6673 615641 0 26712 12979 9877 23115 22144 8039 28556 10583 27880 9437 27880 9537 27195 29530 40677 38045 49972 27363 37585 29936 35406 56695 85972 12528 1635256 28125 36047 20373 8350 47423 39491 15264 12018 15309 20062 26238 15595 15275 69020 16701 112641 18387 116477 99600 tigloylglycine 384651.5 291934.0938 111741.1484 114926.9766 135959.4375 67164.1016 54250.0508 156763.9219 130611.1875 0 169870.8438 76993.2734 83742.2031 73640.5234 120685.5469 104757.4141 87554.2813 111544.3906 99637.2813 66329.5781 103448.8516 89112.2188 46532.5039 95598.7422 114835.5234 47977.332 68768.9063 64411.5547 52990.7148 81056.9922 103082.4844 62611.0859 101062.6797 98411.5938 0 0 141071.9844 0 133421.5781 95489.7891 32162 0 152188.1719 190502.1406 208051.8906 98676.5078 49012.7461 81977.1172 76839.2266 130432.8125 125984.3047 74364.1484 0 46458.207 78034.0156 48314.2305 0 106622.8906 45471.5664 0 155448.2188 96269.1641 206599.0156 78057.1328 53954.7305 102488.0781 0 195650.2344 84860.5703 0 135537.2031 108157.4609 96590.7422 129112.3203 142700.9531 149017.6563 192935.1875 168073.2031 153970.3438 160922.875 60361.4492 98123.5938 69664.1328 67671.2266 153703.0938 0 43396.0117 130809.6953 0 0 135594.2188 0 0 0 0 111764.6328 94139 64961 51811 62712 42720 129222 80807 80367 184545 97435 43661 99370 56084 138762 119261 106997 139365 93650 122177 110424 64585 120225 162472 44443 131880 99434 97945 97101 51342 65613 77804 56502 89753 204312 97614 107286 157951 63994 63405 62713 73719 186746 62211 65223 114206 124535 21620 150783 104728 135144 53330 214556 164001 104751 127668 49558 43500 78740 51032 81616 305678 138349 134193 150585 104111 123135 43391 96275 57233 129499 75327 95975 127488 82645 46219 98082 126705 163805 72665 29524 0 126967 168868 124231 106881 103099 91718 100786 110834 112422 164789 136324 130245 112073 123087 99498 78706 67618 128342 63392 trans-4-hydroxyproline 923926.4375 914353.5 998120.25 869953.0625 1025098.4375 582242.6875 480595.125 508980.9688 1950390.25 861135.8125 959748.6875 1205288.25 1053390.125 892195.6875 674882.375 1169794.875 1046108.625 482406.75 534133.25 689014.125 822613.6875 1018040.3125 721310.875 652573.4375 723420.125 382734.6875 518176.9063 729367.25 551407.375 1102403 945350.3125 701263 835469.0625 645566.75 809351 473582.0938 590990.5625 567398.875 1074448.875 1454389.375 660094.125 741605.875 610708.125 675930.1875 707559.3125 353012.4375 770891.875 842041.0625 766691.5 1618517.75 1575024.125 563879.3125 498737.9375 476430.3438 736663.6875 1050491.25 1143196.125 682292.6875 661148.0625 653610.5625 378291.9688 358885.5313 1133895 1026245.5625 594212.125 542892 778981.3125 322778.25 830504.9375 976162.8125 1437959.5 2923274.5 624505.875 1573412.375 1341829.625 610694.3125 481581 1229924.5 401138.3125 598850.75 548007.5 484296.3438 512779.875 752486.125 1147681.5 891701 503510.8125 1075327.5 543392.1875 348851.9063 507773.4375 619780.875 607461.625 721310.875 464747.4688 2208193.5 216394 209847 177149 270357 239653 248109 301781 197696 336795 159491 137356 167936 275883 268486 236396 473729 173268 207606 263897 236396 183999 182755 262291 342092 132857 451031 233027 265609 238024 440571 264407 236396 262696 208302 309064 297671 357044 215858 270755 0 224036 207158 243614 694472 193765 268061 342891 148812 292117 115602 154957 289481 278712 607963 257349 384885 413301 194483 258505 162748 179776 545591 145765 186976 70911 551111 208653 201788 316233 343704 197834 441782 111775 131405 205262 217941 422062 222068 214252 147001 238842 454061 545294 309565 356945 172897 122667 160154 180978 1141359 205262 207337 180301 190289 348375 186334 453309 258497 177137 221182 tryptamine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 185725 186543 29710 184266 138167 108595 78201 3828672 5682 383017 11222 165157 43149 4865 81391 11760 38950 139169 41750 172184 18378 4025 6086 131131 40858 0 88452 155572 25352 45586 2502 204161 0 63025 131603 59624 3882 106872 209079 0 8199 2008169 134081 0 55401 39377 79999 162125 0 69063 33574 735334 875215 0 614822 0 88638 2683912 0 6757 0 19055 295429 388030 16955 0 34566 913042 37172 85806 5862 146214 15745 10323 60852 72554 44340 121443 150062 74144 0 78224 0 0 461517 40038 2119 321284 508242 112611 188792 37938 307033 290093 82783 392723 17445 34961 85192 136364 tryptophan 1504319 882890.75 737767.125 712023.5 1327628 626534.375 592643.75 720159.1875 2350081.5 1073249.125 125179.9844 279708.6563 1677084.125 1388916.125 474204.4375 1072002 476347.25 298487.25 634383.9375 347095.0938 90524.2734 366899.5938 88468.2969 67848.4688 43759.4609 97182.6328 316370.7813 354823.9063 534085.4375 213611.0938 255083.8906 229980.5938 511532.2188 870058.0625 637667.5 208934.5781 180584.4531 226589.6875 234795.9688 244476.625 133506.4375 329052.125 153085.9531 681717.625 406406.6875 1299269 766743.5625 1134593.75 1377321 644269.5625 931836.8125 135424.5313 438232.7813 418609.0625 489667.375 1403026.375 2095814.375 1023755.375 329114.875 721929.875 85365.5078 187501.5781 338976.4063 503862.25 65226.3008 470172.9063 450052.9063 283929.9688 613541.875 418948.5 456774.4375 1512253.875 232065.2656 1540044.25 1683939.875 28839.3086 275490.5313 151827.7031 709443.4375 399272.0313 407219.6563 259477.125 476347.25 367756.3125 1027144.0625 1520878 870091.4375 112416.3438 921547.6875 565253.25 1110889.375 490145.9063 931237.5 1239690.125 2609996.5 1154846.375 1545771 2333133 1001044 779067 2506670 3562315 1113850 267801 1156137 3846350 552196 2530021 1669737 261124 2555040 2162015 1161282 2033607 1447882 1234613 1552052 177943 342605 1910247 1469344 135470 2348959 2961290 622844 3507541 128806 1375388 2769873 1828615 987791 1115707 457664 1948033 1727111 32180 505650 1757840 1570368 985589 428582 626684 2677865 3850917 398083 2306064 1997180 1139288 3444394 364107 12603986 78463 1528456 1106795 379562 373000 239718 1696336 2289069 5807892 2974928 98794 681923 1226976 2547301 4484997 3574916 1962314 491892 354785 1575647 1592921 376005 2514248 1723175 192573 14971345 1552052 184927 561453 1498522 1005286 793417 3237132 5324818 1668964 2484591 875518 2409825 2398382 1494401 1837228 1654038 1756315 3243180 1828052 tryptophylleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 45120 4745 0 0 15263 49826 20818 0 5863 299402 25893 0 26212 0 0 0 3552 11501 3195 0 8191 77010 30214 4885 0 14605 0 0 39900 6507 77907 0 32615 0 0 0 0 1904 0 0 21419 0 0 0 95595 5943 4389 18264 7081 34862 9037 199699 50905 13062 1266874 0 0 0 20681 128330 29567 3824 0 0 15148 28064 21667 0 4005 15789 8852 8133 28643 0 116687 4043 0 34323 0 0 971793 17738 71069 8423 0 13150 5063 0 0 2225 10376 9802 0 2320 0 0 42934 0 12425 20377 tyramine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 34045 154490 83852 69945 345187 67803 15244 55735 16975 137496 38493 60000 62407 6662 18428 0 15303 50401 484014 0 0 9817 18836 94425 19881 0 331822 58570 29909 44889 15033 47909 0 71564 6948 533900 17942 40704 36190 0 16047 26206 11449 6212 387856 169273 131341 14230 20149 6309 138181 105565 133391 17333 7481 10137 119487 23138 18881 31899 12438 19315 87642 6505 8862 0 89508 159774 71035 86226 5416 13153 11395 42613 49352 70276 5451 113494 310452 44902 0 26890 10675 4296 17859 18430 11516 6744 8268 139673 78233 55838 66519 34045 22694 105144 14703 22279 30941 48447 tyrosine 7744686 7418432.5 3788018.25 2629074 4014286 2937189 3339810.25 4837664.5 11859805 8632275 2472568.5 5156862 7142822.5 6676452 1936395.75 3090665.75 2304073.5 1546408.75 3048860.25 1254765.125 980367.625 1998858.25 1782995.625 1168906.125 951587.25 885048.875 2520800.75 2906697 3354425.75 1749316 9489666 1664967 1241001.75 3031044 2412196.25 1617239.75 1458797.125 3240139.25 2286770.25 2562887.75 1175032.25 2187552.5 2078091.875 6029185 5015358.5 8780517 4911394.5 6984149.5 6370694 3997032.25 4716841.5 1268766.5 2984116.5 2378054.75 2544584.5 6918330.5 7539732.5 3996295 3089451.5 4191367.75 869391.25 918415.25 4825731 5073008 1236781.125 2984116.5 4300752 2058986.125 2862466.25 2670416.75 2416607.75 4186046.75 1406324.25 8888127 7266507 1203200.875 1834190.75 1096898.625 1529043.375 1450857.5 1662808.125 1141082 1456279.25 1862235.625 5115568 5996824 2995206.5 1479406.25 4862459.5 8593019 11342993 7236930.5 13183625 15137746 7060864 9794150 6588199 10400656 7822726 8960955 8419044 7437062 7434169 5367062 5374513 14942019 1952309 7312487 7268157 877433 8886563 902948 3376920 11011350 11679161 78921 1845141 899069 2069729 9046525 6000934 980661 9979272 13098812 2537269 8124754 905872 9811743 4882626 10032166 1693307 9055581 2873893 9275330 9215873 390330 1083595 4380697 8402365 2872484 7129996 10463536 6839126 10718722 2872054 8306785 11089032 5628043 30184066 1383854 24923654 1514743 8475248 5043318 1009385 2320310 1151910 3440517 11000854 12282455 7268157 2067052 7087000 15712270 6988290 10897873 10831027 4109609 2996493 6404775 6212668 8938064 7003376 17485256 6884342 4444328 23299040 4915502 2482883 2413960 2453851 9813568 7967626 9323478 11668208 10199945 8393827 3585109 9959271 8816356 9345097 7325897 7532939 5344033 11554376 10564872 tyrosylisoleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 12537 15719 7100 14720 33907 20505 22845 7605 16684 59458 10983 4708 16693 19227 29081 10472 10978 27476 29627 6523 10856 15100 16710 11218 8118 10174 16373 35518 20924 20152 14811 1770 22299 22398 3761 15289 13638 6456 4820 12685 15923 15864 10491 10285 31289 17133 7691 9630 17891 12813 15872 39298 28454 11893 1146073 8892 9819 3870 10030 15786 30956 14389 3670 6205 8462 16969 11733 14455 15074 11663 11239 21583 16954 4141 17779 7859 6595 14794 14588 32392 2081266 9340 44566 8781 15056 10876 0 2071 5958 19266 14588 27433 6420 0 19999 4784 34642 5123 28909 12407 tyrosylleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 4667 0 0 0 16941 19834 11921 0 5869 45614 23461 0 23168 0 0 0 0 0 0 0 0 11887 14808 0 4204 7424 0 0 22061 0 10962 0 15434 0 0 0 0 0 0 0 5013 0 0 0 23072 9781 0 15523 0 18827 7828 24099 15319 0 2280884 0 0 0 15947 9758 19644 0 0 0 15203 0 5922 0 0 0 0 0 34550 0 25884 0 0 4660 0 0 5072884 0 76891 0 0 0 0 0 0 0 0 12673 0 0 0 0 15319 0 10610 8520 tyrosylphenylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 709258 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 364184 0 0 0 0 0 0 0 364184 0 19109 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 tyrosylvaline NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 14091 8250 3360 7238 16129 19323 22099 2376 5641 62056 19483 3384 32204 0 15281 0 9684 47108 10175 3429 4298 20716 9568 11431 9669 0 3298 26908 23399 13192 8999 2596 15640 12090 17880 8630 0 9865 3667 0 0 0 7659 9164 13817 8892 9110 11244 0 12906 3640 23873 35299 15707 808204 5334 0 11699 6226 10175 16087 0 12700 8903 18318 0 10084 3623 3071 10265 22661 22891 24423 8516 15891 7533 2752 5021 10925 4741 2752585 0 21962 0 3465 14832 7276 4888 6698 0 5582 13867 5663 9273 7821 18261 23103 4736 49464 40001 uracil 2666128.25 2581247 4279938.5 5943809.5 5439135 3345364.25 2680164.75 4449329.5 3409140 5800549 3752062.25 3450245.25 4523747.5 5290807 3789437.5 3556749 3740285.25 4647265.5 3373723 3707283.5 2801548.25 3096966.75 5008171.5 3174513.75 3263923.5 4587949 4426344 2771402.5 3121483 2152823 2135453.5 1762047.5 5515539 2440159.25 2054783.75 5132058 3853905.25 3423781 2516573.25 2625933.75 2535649.5 3011156.25 2543388.5 2874769.5 2394566 2507223.5 4049574.5 4655329.5 3624920.5 3072507.25 2130797.25 3802627 3292698.5 4115391.25 5118810.5 2448809 2925419.75 3356030.25 4559050 2996422.25 1741080.875 3373723 2826706.25 3259347 5250321.5 5037915 5009451 3402082.25 3524604 4524738 2394420 774024.3125 4699568.5 4554740 3924547.5 4535701.5 1894512.375 1193176.125 2567749.75 3133257.5 5838491.5 7247223.5 4801655.5 5028948 3925652.25 1035358.5625 5392823.5 1884820.875 2698989 1723584.125 960334.4375 1782045 1944297 1376055.875 4383273 3572786.5 2731697 1822447 1062814 555951 2157786 2535153 1396041 28405 1892078 2911881 26679 2862859 1307623 2986971 3233956 2863397 255168 2387035 2253346 1726043 2613279 2786586 3351014 3738349 344108 2273201 1945961 2354256 404989 3972991 1143055 2612958 1584660 1701361 1357970 2552034 2272444 1801614 3144359 1436728 5071617 2608470 3250817 1983854 3724737 1226137 1482951 2041513 2374577 1993277 2006901 1094976 2748998 4504072 1886790 3432795 1817737 1281248 1822496 2505954 2934206 4166990 1892925 2006901 37447 2927241 670439 2179707 2536779 2621675 3042329 2149782 19038 9023 1105452 2569670 992965 2121723 1944991 28383 660656 2861060 1628734 4271887 4069288 57247 85822 861153 1508820 2796679 1510314 2229771 1791132 1795480 1239911 2218643 1766080 2931604 4006768 1399560 valine 6754107 5945955.5 5840662.5 3151446.75 3897386.5 3364177.5 3221465.5 7709575.5 10414651 7590277.5 3703070.25 5360164 6995480 7252379 2303348.5 3995028 3611255 2509064.75 5307027 2535602.75 2092414.75 2800151.75 3677061 2221958.75 2102071.25 1881420.5 3120621.5 3397398.25 3778062 1414272.625 2791902.5 1235308.5 5008730 2710987.75 2306468.25 2889034.25 3541504.75 5840384.5 3970072.75 3677061 1665799.375 2711471.75 5011985 6269834 6280274 7983992.5 3651051.75 5552612 4435287 3741663.5 5034842 2035559.25 2931719.75 2704936.25 3440528.5 7820975 10514028 3178154.75 3957866.25 4334127 1472101 1407107.5 4409147.5 4746416 1989646.625 4249702.5 5130033 2940433 3449145.75 2239256 4048287 5679627 2319510 7843302 7352016 1676904.75 2047822.625 1983550.375 2237702.25 2034934.75 3078151.5 1517579.625 2484130 3432593.5 6351065 3360205.25 4915913.5 2533408.25 6344664 8632410 9933614 7750842.5 11076037 13788756 9916926 7482646 4283961 6705404 2406226 4239293 7636475 6431465 2904481 2702627 4753078 16961376 2196224 5592134 3090438 1225037 5960332 5510642 4677902 5196284 7241169 6579293 2767342 1123170 2886126 5775495 7550909 1053645 6280256 7399708 1000448 5054325 768257 5092874 3805417 5071541 4553007 5783970 1915140 4903701 5480279 238349 1127008 6367082 4523675 2879785 3371466 6481633 4181378 8524469 1767061 8477362 8111924 4327547 10408361 1607613 21929810 1602229 4011635 3342163 1133783 2217810 1109715 3129564 5444926 11893496 12266245 1700497 3002838 6357279 3302486 7419392 5673093 5147829 4581361 4903701 3970315 5577037 2315638 8707594 5479976 2139094 28404062 5270026 2031586 2644367 8197620 12782924 8427124 8041597 10754166 5079070 5704865 2747226 5994416 6024051 2927456 5328617 3569839 4535326 7558111 4600516 valylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 39712 24130 0 3328 17710 39881 20716 0 11161 169077 17823 0 23561 0 8313 0 16705 9751 17886 64433 9321 0 5521 5534 33893 0 0 13361 43832 6094 12954 0 31414 10806 68657 16985 0 3916 4334 0 0 8893 38351 0 12596 17760 3290 23907 0 15849 0 83905 75899 0 2186005 0 7077 0 0 20438 18270 0 0 30919 29172 0 24082 0 0 17376 13583 13717 37653 0 31942 0 0 35263 0 0 3068288 0 35905 22763 0 12717 0 0 0 0 0 0 0 0 11247 0 53357 0 15714 15092 valylarginine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 0 0 0 0 0 12000 7791 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 837506 0 0 0 0 0 0 0 0 0 140 0 0 0 0 0 0 0 9976 0 7952 0 0 0 0 0 19812 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 valylasparagine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 75912 154913 209678 55925 102990 66256 121171 23871 20191 569634 113833 254159 71319 0 138660 468217 7395 112061 290503 0 18858 0 0 45399 16801 0 187261 186205 186646 106706 0 677633 14582 121830 6680 175216 0 252555 537446 0 7151 299615 110944 13298 408756 182476 93039 329975 0 419841 33819 468149 160703 0 997176 0 115861 29652 0 88174 0 0 342394 17929 87951 0 110269 190607 17121 67238 64183 90378 27362 13985 277799 333107 46767 85965 95449 812780 670803 30339 45538 9529 143934 67204 47790 32560 18679 8468 24329 54443 308128 147984 117548 238516 239686 43987 423946 411412 valylaspartate NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 34016 14869 7605 18185 11825 22722 15020 5803 56832 207187 27239 3686 15008 0 32552 3670 49026 80296 17953 0 5253 0 10841 14601 57984 337194 5077 23777 16751 23949 5070 11303 14333 8735 5311 9077 0 47581 10016 0 0 7090 10520 0 0 11875 10897 17798 0 23770 6728 17530 31850 0 1789293 7266 5117 7201 4156 0 0 5220 17626 5027 29917 0 14194 0 0 8412 19514 6250 17203 7075 24964 18741 7768 29308 36895 6293 2693571 0 8646 9736 3837 20849 35607 18387 14097 0 6602 9698 9468 6514 15051 17614 27310 9947 83074 66320 valylglutamate NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 60560 49325 25903 15898 35910 35075 41372 17688 39895 974716 67374 18558 30556 17277 76875 13786 58455 195891 50392 7070 18885 13897 33812 44369 84537 32093 48819 76347 44317 47863 17122 31341 88683 44336 15616 39833 19374 91588 25572 0 10696 39833 41652 17263 43973 68482 12069 43924 0 34032 14826 63002 55176 0 3444771 0 28148 35109 12703 14931 13680 0 69140 0 76190 8085 54212 13607 27085 29622 31915 39833 39335 20734 65850 66748 23013 102469 92841 16929 3727422 41901 43346 41937 19813 37746 54833 0 21192 8838 19080 16523 59735 47350 56803 44479 104850 14604 79086 172779 valylglutamine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 19627 8031 0 10896 7356 6390 6295 3800 5003 187500 30486 0 15038 4097 8184 0 8814 6656 7203 2235 0 0 15145 4947 5977 8836 0 7092 12232 17060 5247 0 39104 5630 0 8059 0 4629 0 0 0 3797 0 3027 7182 12611 2530 9810 0 8488 3317 17446 14953 0 1747944 7360 6447 0 3220 9070 13895 0 0 0 13330 5087 18479 0 0 7481 7906 4545 13476 5812 9572 8027 3047 14625 10819 5389 2161985 0 25161 12286 0 5884 3123 1439 0 0 2142 5040 3481 5669 10816 2058 45023 0 19953 8459 valylglycine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 17376 14273 0 34031 24729 14016 7297 7857 5072 200009 66423 0 23494 3828 39608 0 12793 32407 18725 0 7471 0 0 11329 5921 5319 22751 42276 24481 16652 0 0 18530 45089 0 26406 0 9252 0 0 0 9667 14273 5603 0 39277 5250 20905 0 14215 13210 55874 95000 0 4958864 0 14187 0 0 11123 11408 0 0 0 26931 0 31140 0 7234 12760 11361 12565 25500 11924 28607 6511 10981 27893 15245 14359 7111319 0 17171 4445 4936 17024 5158 0 3177 0 7813 2692 10878 13130 33771 8684 47511 0 44703 23231 valylisoleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 46140 16627 6802 16593 51655 56666 49100 5643 45734 274741 94452 2901 23593 21651 38717 3337 27383 31493 31724 36251 24171 35603 44618 31549 22205 70684 16202 42723 30792 37690 44850 6406 40148 28276 3683 19733 12041 24833 8224 7515 25741 13564 37263 29907 52750 28095 12671 30565 28938 35806 17187 123160 101801 32667 4837232 14605 11330 4564 23289 60845 87464 17666 7746 28198 63304 60609 25339 0 27957 27992 44415 22930 74811 21537 48827 22831 12541 48956 20232 16033 7894968 33325 141240 27300 9871 44746 43603 10031 13861 13137 11975 30449 11829 9070 26367 7959 80195 13260 41100 48322 valylleucine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 46950 15817 8963 29790 53304 55150 51276 14856 47614 330603 186896 3461 59711 14436 35018 4340 40285 35957 28859 16344 24182 36974 41947 22896 29258 54882 18732 30111 105332 49632 61197 5116 34973 26467 5594 22420 10931 22471 13180 11762 30051 10565 26462 27980 48231 39166 20306 65121 26688 60609 22433 87668 83392 26701 11764311 18923 13903 7728 23985 61711 95627 22872 18009 18594 70350 49646 67970 0 19520 40179 26023 20747 156103 27494 99987 25668 20653 55299 15446 36592 11362345 24794 389949 28376 9078 59406 39628 14062 10236 24473 19206 47058 9658 11461 32637 10817 90670 11107 58551 47210 valylmethionine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 0 0 0 0 0 31855 19921 0 2698 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7543 0 0 0 0 0 0 0 0 0 0 0 0 0 21210 0 16402 7851 0 8114 0 12477 18279 0 683883 0 0 0 0 5616 12477 0 0 0 8552 0 0 0 0 0 0 0 20878 0 9413 0 0 5143 0 0 1077560 0 22140 0 0 0 0 0 0 0 0 0 0 0 0 0 8956 0 0 0 valylphenylalanine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 7512 3518 0 6012 22074 15306 13596 4488 9891 57696 26409 0 14463 3441 4429 0 14418 12787 9074 3350 8308 17619 11880 4552 13664 19310 2162 4865 40035 12879 12582 0 16071 4849 0 6240 0 5289 0 0 4304 2282 4546 4973 12476 11015 4608 18307 9407 26145 7687 19627 21614 3799 4200373 4521 3508 0 12089 16264 39692 5837 0 3346 22315 8741 12179 0 5650 10597 4156 4531 40115 6743 19519 0 3486 12383 5548 4247 7175629 6536 99833 11433 0 9074 3879 0 3137 4571 7004 12144 0 0 8750 2219 22135 2439 14660 9800 valylserine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 7072 0 682 4198 14827 6490 6343 0 0 28643 18292 4002 9784 0 0 0 6650 0 0 5666 0 0 0 0 4959 6029 7025 0 10600 6088 0 0 9575 0 0 0 0 0 1119 0 0 0 6912 0 4314 0 0 4720 0 0 0 0 11559 0 1524007 0 0 0 0 0 0 0 0 0 16089 0 10286 1971 0 0 0 0 21341 10771 7474 0 0 7938 6311 0 3580786 0 4015 0 0 0 171 2137 0 0 0 3315 3184 5413 10063 0 9560 0 15477 0 valylthreonine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 26131 35104 15299 80484 24329 40922 15777 3945 16734 98018 47505 12624 32207 56378 78095 7226 14563 83214 68619 11296 25231 16302 38010 21308 14125 16460 148596 190748 17912 66723 16975 4694 30786 83069 0 53288 56358 24225 7350 0 16999 77660 28079 21632 52907 25995 10468 42396 85285 38133 69935 27313 96938 14465 3129075 55292 8677 17927 9661 26282 69877 32472 12692 84877 24555 17987 17201 23911 19641 45298 63843 167788 18152 5797 25995 12946 8526 47094 21877 5524 5106950 23184 53593 59789 52301 25633 10291 35055 22936 17779 61586 36361 13049 18553 20475 19921 47009 73588 40481 22567 valyltyrosine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 5838 0 0 0 0 0 0 0 1455 29575 8290 1312 0 0 21885 0 0 17426 10207 0 0 0 0 0 0 0 0 0 8369 11246 0 0 0 0 0 13582 0 0 0 0 0 0 0 0 25620 6531 0 0 0 0 0 0 0 0 1696059 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3965 0 0 8369 8099 0 0 2250 0 965624 6959 31177 0 0 0 0 0 0 0 3756 5028 0 0 1149 0 14024 0 13242 0 valylvaline NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 49685 28835 10708 32342 54404 63341 35388 13677 54713 1121328 132773 5765 38061 24800 56527 12672 37385 77780 36063 12872 21865 24508 94031 38528 33045 75926 20825 60645 47178 65116 28535 9670 137005 35419 10896 35780 18048 38504 12875 10757 33923 24712 36158 28209 43402 45537 20955 35419 21798 31903 21239 128605 100489 23164 5848027 29350 23785 9766 24657 42446 62789 18636 16332 13213 56815 59867 42622 0 29466 28140 36078 36232 77946 17829 76502 38366 25520 53468 48582 16971 6416551 32431 164791 45566 15264 97522 36915 15160 15870 24139 20866 67617 0 10069 45184 17179 241663 17269 77390 92573 xanthine 954274.8125 707257.4375 2318959.5 2764997.5 3623877 1903461.875 1622079 1528359.875 1700712.875 1292470.875 642270.1875 760463.5625 1953069.125 1928300.625 1507923.625 1627203.125 2225608.25 1582395.625 1223555.875 1529020.125 1588890.625 1767357.375 1153725.875 567640 1214772.25 1318967 1096624.125 698471.5625 1687951.5 1182362.375 1255697.875 1345641.125 1328377.75 547623 953898.625 1033612.3125 1083161.375 1266433.75 1247182.25 1695954.125 990196.625 685494.3125 525874.625 1697548.75 1048689.875 258170.7656 1737064.875 1904769.25 501722.125 1743748.625 712782.9375 582392.4375 1309150.375 734003.5625 1375405.375 2046209.375 2137061 1214772.25 1876404 1069264.125 140807.75 645038.0625 400700.8438 299684.125 1280868.75 3423644.25 1689437.5 564013.5625 665036.6875 896974.9375 740346.9375 128160.4063 1549786.625 629040.625 109387.7422 622428.5625 345097.5625 188085.8281 561578 711695.5625 1706602.5 3404912.25 1771356.25 2325291.75 2060754.125 1934154.625 2226808 602146.75 452483.1563 418506.2813 254681.1719 786019.0625 416987.0938 90902.7656 1344481 236854.1563 955068 570090 1052892 111872 1335907 2398349 414180 26555 1905557 802391 12190 937210 2493687 796411 507890 1260575 147937 487618 282180 1339557 1383694 903691 738629 3264878 89789 700297 237778 346437 1186703 1909817 589981 1996607 376019 881917 1573685 325624 738629 361332 2413973 738629 4026684 357461 999688 1190657 270971 548857 553526 1207390 1220183 1199345 584187 236926 1694012 4566739 817170 335455 443709 1032908 631006 1187798 734382 1317367 663171 807376 15988 1023474 741665 1659064 877459 1244875 669029 4063014 32343 17476 769468 717735 712244 213786 610786 0 370450 2213144 203460 2706973 3890330 22822 22310 571050 360742 2782065 459548 496996 434975 553185 343294 855631 1142486 2314530 1047112 231005 xanthosine 37671.7109 29134.6621 233162.2656 302722.7813 144917.9375 171509.5938 109459.5469 103196.9063 57888.2227 61759.4648 92204.6797 50268.9297 109739.6328 97685.3047 240880.375 213101.4844 136533.4688 293816.9688 227342.8438 137103.25 89409.9844 76491.0938 29912.1348 76608.5234 111663.2422 150984.7969 84147.0156 117766.9297 13544.875 11677.416 16762.0078 33345.6055 133351.0156 71917.9922 51341.6641 70708.8203 60933.1992 26270.502 118425.0469 99103.5547 13576.6201 5626.752 6082.2202 75173.8047 37822.4844 76373.6641 63411.0156 34944.4453 84976.75 105583.9453 50719.5547 76036.7031 128010.1719 146371.1875 102928.4375 135174.7344 85019.7031 24336.3906 46032.6094 160983.5469 64647.0586 220684.2031 61588.4063 76491.0938 280555.0938 176149.4531 66733.9141 51794.7578 20697.877 24852.4668 87794.4766 17058.3906 240351.25 37792.1836 20373.9434 117575.1328 92112.2266 91770.7969 145728.4375 173443.0313 175179.4688 345258.6875 221518.4063 304918.2813 74168.4453 16353.8428 211223.8125 39649.6133 14285.6504 26833.0391 50764.1641 31148.3398 25138.8145 23286.6406 49993.2461 22752.8203 943859 471351 418027 112248 941676 1214806 297323 49011 607825 1996605 12364 600628 370272 56971 674408 815073 207242 302429 59891 453962 892480 1324010 289837 1832650 180331 1277777 68194 103775 446457 479945 53700 156009 172237 281113 1148125 131621 876521 113825 237154 1091656 2758318 392034 717624 968263 109013 158930 231206 250650 60687 336558 29697 107415 219933 1288653 31811 96619 513149 739374 386218 758112 38624 205531 297323 81947 31497 1064056 295477 681706 645542 160729 405730 185139 13181 14722 62700 702899 669007 244471 171224 4266 31557 387299 962079 774010 905642 9461 17907 141473 42923 310475 96590 284171 334844 570870 259014 421602 1455686 1000710 1575760 233202 xanthurenate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1290852.875 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1368121.5 0 0 0 0 0 0 0 0 0 0 0 33060 6581 13251 0 7310 0 0 16684 0 0 0 9303 0 0 0 0 0 0 0 0 7739 0 0 354 190479 0 0 15303 3500 0 0 0 628 0 0 0 0 0 0 0 0 0 0 0 3216 0 11973 0 0 0 0 0 16329 0 0 0 0 0 0 0 0 0 0 0 1172 8468 0 0 0 0 0 0 0 7892 0 0 0 0 0 0 627 7157 5387 0 0 0 0 0 0 0 0 0 0 0 0 1788 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID 1-amino-1-cyclopentanecarboxylic acid 1270 130.08626 2901 C03969 1-linolenoylglycerophosphocholine (18:3n3)* 5527.9 518.32412 1-linoleoylglycerophosphocholine (18:2n6) 5574 520.33977 11988421 C04100 1-margaroylglycerophosphocholine (17:0) 5750 510.35542 24779463 C04230 1-methyladenine 953 150.07743 78821 C02216 1-myristoylglycerophosphocholine (14:0) 5481 468.30847 460604 C04230 1-nonadecanoylglycerophosphocholine(19:0)* 5917.4 538.38672 1-oleoylglycerophosphocholine (18:1) 5700 522.35542 16081932 1-palmitoylglycerophosphocholine (16:0) 5671 496.33977 86554 1-pentadecanoylglycerophosphocholine (15:0)* 5563 482.32412 1-stearoylglycerophosphocholine (18:0) 5844 524.37107 497299 2-aminoadipate 794 162.07609 469 C00956 2-linoleoylglycerophosphocholine* 5544 520.33977 2-linoleoylglycerophosphoethanolamine* 5541 478.29282 2-oleoylglycerophosphocholine* 5640 522.35542 2-oleoylglycerophosphoethanolamine* 5625 480.30847 2-palmitoylglycerophosphocholine* 5604 496.33977 15061532 2-piperidinone 2034 100.0757 12665 2-stearoylglycerophosphocholine* 5780 524.37107 10208382 2-deoxyadenosine 1632 252.10912 13730 C00559 2-O-methyladenosine 1876 282.11968 102213 3-hydroxykynurenine 1453 225.08699 89 C02794 3-methoxytyrosine 1765 212.09174 1670 3,4-dimethoxycinnamic acid 3981 209.08084 717531 3,4,5-trimethoxycinnamate 4116 239.0914 735755 4-acetamidobutanoate 1724 146.08117 18189 C02946 4-guanidinobutanoate 1085 146.09241 500 C01035 5-aminovalerate 860 118.08626 138 C00431 5-hydroxymethylfurfural 1992 127.03897 237332 C11101 5-methylthioadenosine (MTA) 2427 298.09684 439176 C00170 7-methylguanine 1353 166.07234 11361 C02242 7-methylguanosine 1451 298.1146 acetylcholine 866 146.11756 adenine 1003 136.06178 190 C00147 adenosine 1650 268.10403 60961 C00212 adenosine 2-monophosphate (2-AMP) 1625 348.07036 94136 C00946 adenosine 5-monophosphate (AMP) 1210 348.07037 6083 C00020 adenosine-2,3-cyclic monophosphate 1484 330.0598 2024 C02353 alanylisoleucine 2011 203.13902 417358 alanylleucine 2150 203.13902 259583 alanylphenylalanine 2422 237.12337 2080 alanyltryptophan 2630 276.13427 1550278 apigenin-7-o-glucoside 3841 433.11293 5280704 C04608 arginine 650 175.11896 232 C00062 asparagylisoleucine 2070 246.14484 asparagylleucine 2170 246.14484 asparagylvaline 1517.3 232.12919 aspartate 675 134.04479 5960 C00049 beta-hydroxyisovaleroylcarnitine 1683 262.1649 betaine 721 118.08626 247 C00719 choline 674 104.10699 305 C00114 choline phosphate 695 184.07332 1014 C00588 citrulline 715 176.10297 9750 C00327 coniferyl aldehyde 3587 179.07027 5280536 C02666 cytidine 1065 244.0928 6175 C00475 dimethylarginine (SDMA + ADMA) 812 203.15026 123831 C03626 epicatechin 2860 291.08632 72276 C09727 gamma-aminobutyrate (GABA) 682 104.07061 119 C00334 gamma-glutamyl-2-aminobutyrate 1589 233.1132 gamma-glutamylalanine 1108 219.09755 440103 gamma-glutamylglutamine 806 276.11902 150914 C05283 gamma-glutamylisoleucine* 2644 261.1445 14253342 gamma-glutamylleucine 2744 261.1445 151023 gamma-glutamylphenylalanine 2846 295.12885 111299 gamma-glutamyltryptophan 3033 334.13975 3989307 gamma-glutamyltyrosine 2073 311.12377 94340 gamma-glutamylvaline 2040 247.12885 7015683 glutamate 700 148.06044 611 C00025 glutamine 684 147.07642 5961 C00064 glutamine-isoleucine 2070.6 260.16049 glutamine-leucine 2180 260.16049 glutathione, oxidized (GSSG) 1535 307.08326 65359 C00127 glutathione, reduced (GSH) 1274 308.09109 124886 C00051 glycerophosphorylcholine (GPC) 694 258.1101 71920 C00670 glycylleucine 2236 189.12337 92843 C02155 glycylphenylalanine 2377 223.10772 92953 glycylproline 1115 173.09207 3013625 glycylvaline 1572 175.10772 97417 guanine 1022 152.05669 764 C00242 guanosine 1676 284.09895 6802 C00387 guanosine-2,3-cyclic monophosphate 1620 346.05472 92823 C06194 histidylisoleucine 1414.9 269.16082 4060215 histidylleucine 1482 269.16082 189008 histidylphenylalanine 1730 303.14517 4466133 histidylvaline 849 255.14517 Isobar: sorbitol, mannitol 709 183.08632 5780 C01507 isoferulate 3576 195.06519 736186 C10470 isoleucine 1614 132.10191 6306 C00407 isoleucylalanine 1686 203.13902 5246009 isoleucylasparagine 1340 246.14484 4414300 isoleucylaspartate 1552 247.12885 isoleucylglutamate 1650 261.1445 isoleucylglutamine 1530 260.16049 isoleucylglycine 1732 189.12337 342532 isoleucylisoleucine 2678 245.18597 isoleucylleucine 2856 245.18597 11644431 isoleucylphenylalanine 3155 279.17032 435728 isoleucylserine 1472.5 219.13394 isoleucylthreonine 1555.1 233.14959 isoleucyltyrosine 2300 295.16524 342468 isoleucylvaline 2202 231.17032 5246011 isopentenyl adenosine 3985 336.16663 266767 C16427 isovitexin 3551 433.11293 162350 C01714 kynurenate 2825 190.04987 3845 C01717 kynurenine 1902 209.09207 161166 C00328 leu-leu-leu 3795 358.27004 259327 leucine 1674 132.10191 6106 C00123 leucylalanine 1760 203.13902 259321 leucylasparagine 1418 246.14484 4128305 leucylglutamate 1716 261.1445 5259589 leucylglycine 1800 189.12337 79070 leucylleucine 3012 245.18597 76807 C11332 leucylmethionine 2504 263.14239 118276 leucylphenylalanine 3308 279.17032 259325 leucylproline 2395 229.15467 80817 leucylserine 1519.7 219.13394 3621685 leucylthreonine 1621.9 233.14959 leucyltryptophan 3216 318.18122 329275 leucyltyrosine 2413 295.16524 273262 loganate 2641.7 394.17078 89640 C01512 luteolin-7-O-glucoside 3590 449.10784 5280637 C03951 lysine 603 147.11281 5962 C00047 mevalonolactone 1784 131.07027 10428 N-acetyl-1-methylhistidine* 1019 212.10297 N-acetyl-3-methylhistidine* 935 212.10297 N-acetylalanine 1603 132.06552 88064 C02847 N-acetylarginine 1087 217.12952 67427 C02562 N-acetylasparagine 974 175.07134 99715 N-acetylglutamate 1492 190.071 70914 C00624 N-acetylglutamine 1204 189.08699 182230 C02716 N-acetylhistidine 843 198.08732 75619 C02997 N-acetylisoleucine 3370 174.11247 2802421 N-acetylleucine 3444 174.11247 70912 C02710 N-acetylproline 2184 158.08117 322640 N-acetylputrescine 895 131.11789 122356 C02714 N-acetylserine 1012 148.06044 65249 N-acetylserotonin 2619 219.11281 903 C00978 N-acetyltryptophan 3553 247.10772 700653 C03137 N-acetylvaline 2654 160.09682 66789 N-carbamoylaspartate 951 177.0506 93072 C00438 N-methyl proline 833 130.08626 557 N1-methyladenosine 1356 282.11969 27476 C02494 N1-methylguanosine 1850 298.1146 96373 N2-methylguanosine 1950 298.1146 3035422 N2,N2-dimethylguanosine 2157 312.13025 92919 N6-acetyllysine 1134 189.12337 92832 C02727 N6-carbamoylthreonyladenosine 2656 413.14154 N6-methyladenosine 1985 282.11969 102175 N6,N6-dimethyladenosine 2525 296.13533 348206 naringenin 4373 273.07575 932 C00509 naringenin-7-O-glucoside 3665 435.12858 92794 C09099 nicotinamide 1267 123.05529 936 C00153 nicotinamide adenine dinucleotide (NAD+) 1370 664.1164 5893 C00003 nicotinamide ribonucleotide (NMN) 886 335.06388 14180 C00455 nicotinamide riboside* 955 255.09755 439924 C03150 nicotinate 1241 124.03931 938 C00253 nicotinate ribonucleoside* 1105 256.08157 161234 C05841 norophthalmate* 989 276.11902 5489007 ophthalmate 1457 290.13467 7018721 pantothenate 2218 220.11795 6613 C00864 phenethylamine (isobar with 1-phenylethanamine) 2114.7 122.0964 7408 C02455 phenylalanine 2056 166.08626 6140 C00079 phenylalanylalanine 2047.6 237.12337 6993123 phenylalanylarginine 1553 322.18737 10268029 phenylalanylaspartate 1901 281.1132 335051 phenylalanylglutamate 2005 295.12885 4422358 phenylalanylglycine 2120.1 223.10772 98207 phenylalanylhistidine 1475.9 303.14517 phenylalanylisoleucine 3050 279.17032 phenylalanylleucine 3252 279.17032 4078229 phenylalanylphenylalanine 3317 313.15467 6993090 phenylalanylserine 1808 253.11829 9859812 phenylalanylvaline 2570 265.15467 4096934 pheophorbide A 6053 593.27585 5323510 C18021 phytosphingosine 5189 318.30027 122121 C12144 pipecolate 1120 130.08626 849 C00408 procyanidin B1 2163 579.14971 146798 C10238 procyanidin B2 2525 579.14971 122738 C17639 proline 796 116.07061 145742 C00148 pyridoxal 1210 168.06552 1050 C00250 pyridoxine (Vitamin B6) 1386 170.08117 1054 C00314 pyroglutamine* 764 129.06586 134508 quercetin-3-o-glucoside 3649 465.10276 5280804 C05623 riboflavin (Vitamin B2) 3111 377.14557 493570 C00255 rutin 3630 611.16067 5280805 C05625 S-methylglutathione 1610 322.10674 3605667 C11347 serotonin (5HT) 1660 177.10224 5202 C00780 serylisoleucine* 2021 219.13394 serylleucine 2106 219.13394 serylphenyalanine 2348 253.11829 seryltyrosine 1714 269.1132 4575735 serylvaline 1501 205.11829 sinapoyl aldehyde 3564 209.08084 5280802 C05610 sphinganine 5175 302.30536 3126 C00836 sphingosine 5197 300.28971 5353955 C00319 stearoyl ethanolamide 5968.9 328.32101 27902 syringaldehyde 3246 183.06519 8655 threonine 713 120.06552 6288 C00188 threonylisoleucine 2135 233.14959 threonylleucine 2204 233.14959 4420322 threonylphenylalanine 2500 267.13394 4099799 threonylvaline 1574.5 219.13394 416721 tigloylglycine 2523 158.08117 6441567 trans-4-hydroxyproline 705 132.06552 5810 C01157 tryptamine 2323 161.10733 1150 C00398 tryptophan 2445 205.09716 6305 C00078 tryptophylleucine 3369 318.18122 323786 tyramine 1503 138.09134 5610 C00483 tyrosine 1516 182.08117 6057 C00082 tyrosylisoleucine 2518 295.16524 tyrosylleucine 2656 295.16524 87071 tyrosylphenylalanine 2890 329.14959 3421919 tyrosylvaline 2041 281.14959 7009560 uracil 1149 113.03456 1174 C00106 valine 1040 118.08626 6287 C00183 valylalanine 1278.6 189.12337 334517 valylarginine 794.2 274.18737 4266827 valylasparagine 912 232.12919 7020200 valylaspartate 1073.3 233.1132 9964657 valylglutamate 1346 247.12885 7009623 valylglutamine 1102 246.14484 5253209 valylglycine 1330 175.10772 136487 valylisoleucine 2365 231.17032 5246012 valylleucine 2503.3 231.17032 352039 valylmethionine 2000 249.12674 292427 valylphenylalanine 2790 265.15467 6993119 valylserine 974 205.11829 139506 valylthreonine 1094 219.13394 4046492 valyltyrosine 2000 281.14959 4065033 valylvaline 1842 217.15467 409682 xanthine 1430 153.04071 1188 C00385 xanthosine 1785 285.08296 64959 C01762 xanthurenate 2690 206.04479 5699 C02470 METABOLITES_END #END