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"STUDY":{"STUDY_TITLE":"Metabolome analysis on multi-connected biparental chromosome segment substitution line populations in rice","STUDY_SUMMARY":"rice flag leaves at heading stage from three chromosome substitution line populations, which were respectively constructed by introducing genomic segments from japonica cultivar Niponbare, indica cultivar Minghui 63 and wild accession ACC10, to an indica cultivar Zhenshan 97, were collected. Metabolomics profile was conducted to generate quantitative trait loci that may affect contents of metabolites, and candidate genes were assigned.","INSTITUTE":"Huazhong Agricultural University","LAST_NAME":"Chen","FIRST_NAME":"Jie","ADDRESS":"#1 Shizishan street","EMAIL":"lqlcj@126.com","PHONE":"18986265127"},

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pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"121.1","Product ions (Q3)":"104.1","Main fragments":"104.1, 92.1, 78.1, 61.1","Local ID":"m0011"},{"Metabolite":"Leucine","retention time":"2.44","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"132.1","Product ions (Q3)":"86.1","Main fragments":"86.1, 69.1, 67.1, 56.1","Local ID":"m0016"},{"Metabolite":"Isoleucine","retention time":"1.58","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"132.1017","MW (theoretical)":"132.1019","Error (ppm)":"1.56","Formular":"C6H13NO2","Precursor ions (Q1)":"132.1017","Product ions (Q3)":"86.2","Main fragments":"86.2, 69.1, 67.1, 56.1","Local ID":"m0017"},{"Metabolite":"Aspartic acid","retention time":"1.61","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"134.1","Product ions (Q3)":"88.1","Main fragments":"88.1, 116.1, 74.1, 70.0, 68.0","Local ID":"m0018"},{"Metabolite":"Adenine","retention time":"2.62","PubChem ID":"190","KEGG ID":"C00147","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"136.0619","MW (theoretical)":"136.0618","Error (ppm)":"0.95","Formular":"C5H5N5","Precursor ions (Q1)":"136.0619","Product ions (Q3)":"119.1","Main fragments":"119.1, 109.1, 92.1, 77.1, 65.1","Local ID":"m0020"},{"Metabolite":"Tyramine","retention time":"1.57","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"138.0914","MW (theoretical)":"138.0913","Error (ppm)":"0.43","Formular":"C8H11NO","Precursor ions (Q1)":"138.0914","Product ions (Q3)":"77.2","Main fragments":"77.2, 110.1, 94.2","Local ID":"m0022"},{"Metabolite":"1H-Indole-3-carboxaldehyde","retention time":"9.57","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"146.1","Product ions (Q3)":"118.1","Main fragments":"118.1, 128.1, 100.2, 91.1, 85.0, 65.1","Local ID":"m0029"},{"Metabolite":"Lysine","retention time":"1.61","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"147.2","Product ions (Q3)":"84.2","Main fragments":"84.2, 130.1","Local ID":"m0032"},{"Metabolite":"Glutamic acid","retention time":"1.61","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"148.1","Product ions (Q3)":"84.1","Main fragments":"84.1, 130.1, 102.1, 79.7","Local ID":"m0033"},{"Metabolite":"Methionine","retention time":"1.58","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"150.2","Product ions (Q3)":"61.2","Main fragments":"61.2, 104.3, 75.0, 81.0, 53.9","Local ID":"m0034"},{"Metabolite":"Histidine","retention time":"1.51","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"156.1","Product ions (Q3)":"110.1","Main fragments":"110.1, 93.1, 83.1, 67.4","Local ID":"m0036"},{"Metabolite":"Phenylalanine","retention time":"3.41","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"166.2","Product ions (Q3)":"120.1","Main fragments":"120.1, 103.7, 93.4, 72.2","Local ID":"m0045"},{"Metabolite":"Methoxytyramine","retention time":"1.51","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"168.1014","MW (theoretical)":"168.1019","Error (ppm)":"3","Formular":"C9H13NO2","Precursor ions (Q1)":"168.1014","Product ions (Q3)":"68.2","Main fragments":"68.2, 65.9, 94.1, 105.9","Local ID":"m0046"},{"Metabolite":"Arginine","retention time":"1.51","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"175.2","Product ions (Q3)":"116.1","Main fragments":"116.1, 157.2, 130.0, 65.4","Local ID":"m0048"},{"Metabolite":"Serotonin","retention time":"1.58","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"177.1016","MW (theoretical)":"177.1022","Error (ppm)":"3.61","Formular":"C10H12N2O","Precursor ions (Q1)":"177.1016","Product ions (Q3)":"160.2","Main fragments":"160.2, 141.2, 132.2, 115.2, 103.2, 89.2","Local ID":"m0051"},{"Metabolite":"N-hydroxy tryptamine","retention time":"2.25","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"177.1016","MW (theoretical)":"177.1022","Error (ppm)":"3.61","Formular":"C10H12N2O","Precursor ions (Q1)":"177.1016","Product ions (Q3)":"160.1","Main fragments":"160.1, 132.2, 115.2, 105.2, 89.2, 77.2","Local ID":"m0052"},{"Metabolite":"Caffeic acid","retention time":"6.81","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"181.0501","MW (theoretical)":"181.0495","Error (ppm)":"3.3","Formular":"C9H8O4","Precursor ions (Q1)":"181.0501","Product ions (Q3)":"163","Main fragments":"163.0, 135.2, 107.3, 99.0, 91.1, 79.2","Local ID":"m0054"},{"Metabolite":"Tyrosine","retention time":"2.26","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"182.2","Product ions (Q3)":"91.2","Main fragments":"91.2, 136.2, 119.3, 76.9, 136.2, 165.0","Local ID":"m0055"},{"Metabolite":"Acetosyringone","retention time":"8.3","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"197.0803","MW (theoretical)":"197.0808","Error (ppm)":"2.73","Formular":"C10H12O4","Precursor ions (Q1)":"197.0803","Product ions (Q3)":"105.1","Main fragments":"105.1, 151.2, 115.1, 91.2, 77.1","Local ID":"m0069"},{"Metabolite":"Tryptophan","retention time":"4.89","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"205.2","Product ions (Q3)":"146.2","Main fragments":"146.2, 118.1, 170.3, 188.2, 91.0, 131.9","Local ID":"m0076"},{"Metabolite":"Pantothenic acid","retention time":"4.62","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"220.118","MW (theoretical)":"220.1179","Error (ppm)":"0.23","Formular":"C9H17NO5","Precursor ions (Q1)":"220.118","Product ions (Q3)":"202.1","Main fragments":"202.1, 184.2, 174.2, 124.1, 99.0, 90.1","Local ID":"m0092"},{"Metabolite":"Sinapic acid","retention time":"7.5","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"225.0758","MW (theoretical)":"225.0757","Error (ppm)":"0.22","Formular":"C11H12O5","Precursor ions (Q1)":"225.0758","Product ions (Q3)":"147.1","Main fragments":"147.1, 207.1, 192.1, 175.1, 119.1, 91.1","Local ID":"m0101"},{"Metabolite":"Leu-Pro","retention time":"2.5","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"229.1542","MW (theoretical)":"229.1547","Error (ppm)":"2.06","Formular":"C11H20N2O3","Precursor ions (Q1)":"229.1542","Product ions (Q3)":"142.3","Main fragments":"142.3, 114.2, 96.2, 70.0, 65.0","Local ID":"m0105"},{"Metabolite":"N-p-Coumaroylputrescine","retention time":"3.14","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"235.1441","MW (theoretical)":"235.1441","Error (ppm)":"0.02","Formular":"C13H18N2O2","Precursor ions (Q1)":"235.1441","Product ions (Q3)":"147.2","Main fragments":"147.2, 218.2, 175.2, 119.1","Local ID":"m0112"},{"Metabolite":"Cytidine","retention time":"1.53","PubChem ID":"6175","KEGG ID":"C00475","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"244.0921","MW (theoretical)":"244.0928","Error (ppm)":"2.87","Formular":"C9H13N3O5","Precursor ions (Q1)":"244.0921","Product ions (Q3)":"112.1","Main fragments":"112.1, 124.1, 99.0, 95.1","Local ID":"m0124"},{"Metabolite":"sn-glycero-3-phosphocholine","retention time":"1.61","PubChem ID":"657272","KEGG ID":"C00670","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"258.1111","MW (theoretical)":"258.1101","Error (ppm)":"3.87","Formular":"C8H20NO6P","Precursor ions (Q1)":"258.1111","Product ions (Q3)":"104.2","Main fragments":"104.2, 240.2, 184.2, 125.1, 99.1","Local ID":"m0149"},{"Metabolite":"N-Feruloyl putrescine","retention time":"3.74","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"265.1547","MW (theoretical)":"265.1547","Error (ppm)":"0.12","Formular":"C14H20O3N2","Precursor ions (Q1)":"265.1547","Product ions (Q3)":"177.1","Main fragments":"177.1, 248.2, 145.1, 117.1, 89.1, 72.2","Local ID":"m0155"},{"Metabolite":"Thiamine","retention time":"1.46","PubChem ID":"1130","KEGG ID":"C00378","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"265.112","MW (theoretical)":"265.1118","Error (ppm)":"0.91","Formular":"C12H17N4OS","Precursor ions (Q1)":"265.112","Product ions (Q3)":"122.1","Main fragments":"122.1, 175.1, 144.1, 113.1, 81.1","Local ID":"m0156"},{"Metabolite":"Adenosine","retention time":"3.21","PubChem ID":"60961","KEGG ID":"C00212","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"268.104","MW (theoretical)":"268.104","Error (ppm)":"0.26","Formular":"C10H13N5O4","Precursor ions (Q1)":"268.104","Product ions (Q3)":"136.1","Main fragments":"136.1, 107.1, 94.1, 69.1","Local ID":"m0159"},{"Metabolite":"Apigenin","retention time":"11.4","PubChem ID":"25200950","KEGG ID":"C01477","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"271.0601","MW (theoretical)":"271.0601","Error (ppm)":"0","Formular":"C15H10O5","Precursor ions (Q1)":"271.0601","Product ions (Q3)":"153.1","Main fragments":"153.1, 243.2, 229.1, 197.2, 145.2, 119.1","Local ID":"m0164"},{"Metabolite":"N-(9H-Purin-6-ylcarbamoyl)threonine","retention time":"5.48","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"281.1","MW (theoretical)":"281.0993","Error (ppm)":"2.57","Formular":"C10H12N6O4","Precursor ions (Q1)":"281.1","Product ions (Q3)":"162.2","Main fragments":"162.2, 221.0, 191.2, 136.1, 120.1, 99.1","Local ID":"m0184"},{"Metabolite":"Linoleic acid","retention time":"21.42","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"281.3","Product ions (Q3)":"81.1","Main fragments":"81.1, 263.3, 245.3, 105.1, 91.1, 67.1","Local ID":"m0186"},{"Metabolite":"Crotonoside","retention time":"1.57","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"284.0989","MW (theoretical)":"284.0917","Error (ppm)":"0.16","Formular":"C10H13N5O5","Precursor ions (Q1)":"284.0989","Product ions (Q3)":"152.1","Main fragments":"152.1, 238.2, 181.1, 135.1, 110.1, 95.2","Local ID":"m0189"},{"Metabolite":"Retinol","retention time":"11.7","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"287.237","MW (theoretical)":"287.2369","Error (ppm)":"0.2","Formular":"C20H30O","Precursor ions (Q1)":"287.237","Product ions (Q3)":"157.2","Main fragments":"157.2, 269.2, 227.2, 199.2","Local ID":"m0195"},{"Metabolite":"N-p-Coumaroyl spermidine","retention time":"2.3","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"292.2021","MW (theoretical)":"292.202","Error (ppm)":"0.5","Formular":"C16H25O2N3","Precursor ions (Q1)":"292.2021","Product ions (Q3)":"147.1","Main fragments":"147.1, 275.1, 204.2, 119.1, 91.1","Local ID":"m0200"},{"Metabolite":"Quercetin","retention time":"10.2","PubChem ID":"46906036","KEGG ID":"C00389","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"303.1","Product ions (Q3)":"153.1","Main fragments":"153.1, 285.1, 229.0, 177.2, 137.1, 99.0","Local ID":"m0218"},{"Metabolite":"N-Feruloyl agmatine","retention time":"4.54","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"307.1758","MW (theoretical)":"307.1765","Error (ppm)":"2.18","Formular":"C15H21N4O3","Precursor ions (Q1)":"307.1758","Product ions (Q3)":"177.1","Main fragments":"177.1, 272.2, 247.0, 187.1, 175.1, 145.2","Local ID":"m0233"},{"Metabolite":"N2, N2-Dimethyguanosine","retention time":"4.64","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"312.1305","MW (theoretical)":"312.1302","Error (ppm)":"0.82","Formular":"C12H17N5O5","Precursor ions (Q1)":"312.1305","Product ions (Q3)":"180.2","Main fragments":"180.2, 222.2, 135.1, 110.1","Local ID":"m0239"},{"Metabolite":"9,10-Epoxy-18-hydroxy-octadecanoic acid","retention time":"16.16","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"315.2528","MW (theoretical)":"315.2457","Error (ppm)":"0.549","Formular":"C18H34O4","Precursor ions (Q1)":"315.2528","Product ions (Q3)":"147.1","Main fragments":"147.1, 273.2, 215.0, 197.2, 155.2, 91.0","Local ID":"m0246"},{"Metabolite":"Buergeriside C1","retention time":"8.15","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"325.1287","MW (theoretical)":"325.1282","Error (ppm)":"1.61","Formular":"C16H20O7","Precursor ions (Q1)":"325.1287","Product ions (Q3)":"88.1","Main fragments":"88.1, 279.1, 238.1, 210.1, 173.2, 97.0","Local ID":"m0267"},{"Metabolite":"Tricin","retention time":"11.8","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"331.0811","MW (theoretical)":"331.0812","Error (ppm)":"0.39","Formular":"C17H14O7","Precursor ions (Q1)":"331.0811","Product ions (Q3)":"315","Main fragments":"315.0, 285.0, 258.0, 243.0, 153.0","Local ID":"m0278"},{"Metabolite":"Pyridoxine O-glucoside","retention time":"2.43","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"332.1344","MW (theoretical)":"332.134","Error (ppm)":"1.23","Formular":"C14H21NO8","Precursor ions (Q1)":"332.1344","Product ions (Q3)":"314.2","Main fragments":"314.2, 170.1, 152.2, 134.1, 124.1","Local ID":"m0282"},{"Metabolite":"Naringenin derivative","retention time":"8.95","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"341.1387","MW (theoretical)":"341.1384","Error (ppm)":"1.03","Formular":"C20H20O5","Precursor ions (Q1)":"341.1387","Product ions (Q3)":"137.1","Main fragments":"137.1, 323.3, 251.2, 219.2, 202.2, 114.1","Local ID":"m0302"},{"Metabolite":"Axillarin","retention time":"10.5","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"347.0763","MW (theoretical)":"347.0761","Error (ppm)":"0.45","Formular":"C17H14O8","Precursor ions (Q1)":"347.0763","Product ions (Q3)":"153.2","Main fragments":"153.2, 285.1, 257.1, 229.2, 201.2","Local ID":"m0316"},{"Metabolite":"6-Hydroxyluteolin 6,7,3',4'-tetramethyl ether","retention time":"8.76","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"359.1128","MW (theoretical)":"359.1125","Error (ppm)":"0.76","Formular":"C19H18O7","Precursor ions (Q1)":"359.1128","Product ions (Q3)":"329.1","Main fragments":"329.1, 298.2, 283.2, 183.2","Local ID":"m0341"},{"Metabolite":"5-Caffeoylquinic acid methyl ester","retention time":"10","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"369.1174","MW (theoretical)":"369.118","Error (ppm)":"1.65","Formular":"C17H20O9","Precursor ions (Q1)":"369.1174","Product ions (Q3)":"207.1","Main fragments":"207.1, 351.1, 233.2, 175.1, 147.1, 91.1","Local ID":"m0349"},{"Metabolite":"Feruloyl quinate","retention time":"7.41","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"369.118","MW (theoretical)":"369.118","Error (ppm)":"0.02","Formular":"C17H20O9","Precursor ions (Q1)":"369.118","Product ions (Q3)":"177.1","Main fragments":"177.1, 207.1, 145.1, 117.1, 162.2, 145.1","Local ID":"m0351"},{"Metabolite":"Grevilloside A","retention time":"7.33","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"374.1808","MW (theoretical)":"374.1809","Error (ppm)":"0.4","Formular":"C17H24O8","Precursor ions (Q1)":"374.1808","Product ions (Q3)":"137.1","Main fragments":"137.1, 223.2, 188.2, 144.1, 122.1, 85.1","Local ID":"m0359"},{"Metabolite":"trans-zeatin 7-glucoside","retention time":"4.737","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"382.1704","MW (theoretical)":"382.1721","Error (ppm)":"4.49","Formular":"C16H23N5O6","Precursor ions (Q1)":"382.1704","Product ions (Q3)":"220.2","Main fragments":"220.2, 336.1, 202.2, 185.2, 136.1","Local ID":"m0368"},{"Metabolite":"Sinapoylserotonin","retention time":"6.45","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"383.2","Product ions (Q3)":"233.2","Main fragments":"233.2, 207.2, 261.2, 279.1","Local ID":"m0370"},{"Metabolite":"Succinyladenosine","retention time":"5.3","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"384.1151","MW (theoretical)":"384.115","Error (ppm)":"0.3","Formular":"C14H17N5O8","Precursor ions (Q1)":"384.1151","Product ions (Q3)":"252","Main fragments":"252.0, 162.2, 136.2, 148.0","Local ID":"m0371"},{"Metabolite":"AKD 2B1","retention time":"12.4","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"390.3576","MW (theoretical)":"390.3578","Error (ppm)":"0.5","Formular":"C22H44O4","Precursor ions (Q1)":"390.3576","Product ions (Q3)":"328.3","Main fragments":"328.3, 284.3, 240.3, 132.1, 102.1","Local ID":"m0382"},{"Metabolite":"Adenosine O-ribose","retention time":"4.01","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"400.1969","MW (theoretical)":"400.1966","Error (ppm)":"0.8","Formular":"C19H26O8","Precursor ions (Q1)":"400.1969","Product ions (Q3)":"136.1","Main fragments":"136.1, 268.2, 175.2, 121.1","Local ID":"m0398"},{"Metabolite":"Apigenin 6-C-pentoside","retention time":"8.51","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"403.1025","MW (theoretical)":"403.1024","Error (ppm)":"0.35","Formular":"C20H18O9","Precursor ions (Q1)":"403.1025","Product ions (Q3)":"312.8","Main fragments":"312.8, 283.2","Local ID":"m0400"},{"Metabolite":"Apigenin 8-C-pentoside","retention time":"9.15","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"403.1037","MW (theoretical)":"403.1024","Error (ppm)":"3.34","Formular":"C20H18O9","Precursor ions (Q1)":"403.1037","Product ions (Q3)":"367.1","Main fragments":"367.1, 385.1, 337.1, 313.1, 297.1, 283.1","Local ID":"m0401"},{"Metabolite":"Hedyotoside","retention time":"9.94","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"404.1544","MW (theoretical)":"404.1551","Error (ppm)":"1.87","Formular":"C17H22O10","Precursor ions (Q1)":"404.1544","Product ions (Q3)":"193.2","Main fragments":"193.2, 284.1, 272.1, 165.1, 91.1","Local ID":"m0404"},{"Metabolite":"Threonyl carbamoyl adenosine","retention time":"6.02","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"413.1411","MW (theoretical)":"413.1415","Error (ppm)":"1.06","Formular":"C15H20N6O8","Precursor ions (Q1)":"413.1411","Product ions (Q3)":"162.1","Main fragments":"162.1, 281.1, 201.2, 136.1, 99.0","Local ID":"m0418"},{"Metabolite":"Apigenin derivative 1","retention time":"7.68","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"417.1546","MW (theoretical)":"417.1544","Error (ppm)":"0.49","Formular":"C22H24O8","Precursor ions (Q1)":"417.1546","Product ions (Q3)":"167.2","Main fragments":"167.2, 235.2, 205.2, 181.1, 145.2, 123.1","Local ID":"m0422"},{"Metabolite":"flavonoid-glycoside 1","retention time":"10.31","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"417.1177","MW (theoretical)":"417.118","Error (ppm)":"0.74","Formular":"C21H20O9","Precursor ions (Q1)":"417.1177","Product ions (Q3)":"255.1","Main fragments":"255.1, 209.1, 181.2, 167.2, 153.2","Local ID":"m0423"},{"Metabolite":"O-methylapigenin C-pentoside","retention time":"8.78","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"417.1181","MW (theoretical)":"417.118","Error (ppm)":"0.22","Formular":"C21H20O9","Precursor ions (Q1)":"417.1181","Product ions (Q3)":"297.1","Main fragments":"297.1, 335.0, 381.0","Local ID":"m0424"},{"Metabolite":"O-methylnaringenin C-pentoside","retention time":"8.36","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"419.1336","MW (theoretical)":"419.1337","Error (ppm)":"0.14","Formular":"C21H22O9","Precursor ions (Q1)":"419.1336","Product ions (Q3)":"383.1","Main fragments":"383.1, 365.1, 353.1, 337.1, 325.1, 299.2","Local ID":"m0426"},{"Metabolite":"(2S,3R)-2-{[{9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}(methyl)carbamoyl]amino}-3-hydroxybutanoic acid","retention time":"6.71","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"427.1578","MW (theoretical)":"427.1572","Error (ppm)":"1.44","Formular":"C16H22N6O8","Precursor ions (Q1)":"427.1578","Product ions (Q3)":"150.2","Main fragments":"150.2, 295.1, 247.2, 201.1, 136.1, 99.0","Local ID":"m0432"},{"Metabolite":"Apigenin derivative 2","retention time":"10.03","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"431.1344","MW (theoretical)":"431.135","Error (ppm)":"1.4","Formular":"C22H22O9","Precursor ions (Q1)":"431.1344","Product ions (Q3)":"359.1","Main fragments":"359.1, 395.1, 335.1, 311.1, 281.2, 251.2","Local ID":"m0438"},{"Metabolite":"Apigenin 8-C-glucoside","retention time":"8.12","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"433.1137","MW (theoretical)":"433.1129","Error (ppm)":"1.8","Formular":"C21H20O10","Precursor ions (Q1)":"433.1137","Product ions (Q3)":"367.1","Main fragments":"367.1, 397.1, 379.2, 349.1, 337.2, 313.1","Local ID":"m0442"},{"Metabolite":"Apigenin 6-C-glucoside","retention time":"7.92","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"433.1129","MW (theoretical)":"433.1129","Error (ppm)":"0.05","Formular":"C21H20O10","Precursor ions (Q1)":"433.1129","Product ions (Q3)":"367.2","Main fragments":"367.2, 397.1, 379.2, 349.1, 337.2, 313.1","Local ID":"m0443"},{"Metabolite":"Apigenin-7-O-glucoside","retention time":"8.72","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"433.113","MW (theoretical)":"433.1129","Error (ppm)":"0.18","Formular":"C21H20O10","Precursor ions (Q1)":"433.113","Product ions (Q3)":"271.1","Main fragments":"271.1, 415.0, 313.1, 253.3, 153.2","Local ID":"m0444"},{"Metabolite":"Apigenin 5-O-glucoside","retention time":"8.23","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"433.113","MW (theoretical)":"433.1129","Error (ppm)":"0.18","Formular":"C21H20O10","Precursor ions (Q1)":"433.113","Product ions (Q3)":"271.1","Main fragments":"271.1, 415.0, 313.1, 253.3, 153.2","Local ID":"m0447"},{"Metabolite":"O-methylapigenin 6-C-hexoside","retention time":"8.22","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"447.1286","MW (theoretical)":"447.1286","Error (ppm)":"1.63","Formular":"C22H22O10","Precursor ions (Q1)":"447.1286","Product ions (Q3)":"297.1","Main fragments":"297.1, 351.0, 323.0, 327.1","Local ID":"m0467"},{"Metabolite":"Chrysanthemin","retention time":"5.37","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"449.1","Product ions (Q3)":"287","Main fragments":"287.0, 245.0, 231.3, 213.3, 137.1","Local ID":"m0474"},{"Metabolite":"Luteolin 5-O-glucoside","retention time":"7.82","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"449.1078","MW (theoretical)":"449.1078","Error (ppm)":"0.08","Formular":"C21H20O11","Precursor ions (Q1)":"449.1078","Product ions (Q3)":"287.2","Main fragments":"287.2, 413.1, 353.1, 329.2","Local ID":"m0475"},{"Metabolite":"Luteolin 6-C-glucoside","retention time":"7.21","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"449.1078","MW (theoretical)":"449.1078","Error (ppm)":"0.08","Formular":"C21H20O11","Precursor ions (Q1)":"449.1078","Product ions (Q3)":"299.1","Main fragments":"299.1, 329.0, 311.1, 287.1, 283.0","Local ID":"m0476"},{"Metabolite":"Kaempferol 3-O-glucoside","retention time":"8.98","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"449.1073","MW (theoretical)":"449.1078","Error (ppm)":"0.58","Formular":"C21H20O11","Precursor ions (Q1)":"449.1073","Product ions (Q3)":"287.1","Main fragments":"287.1, 413.1, 383.1, 329.1, 299.1","Local ID":"m0477"},{"Metabolite":"Luteolin-7-O-glucoside","retention time":"8.09","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"449.1087","MW (theoretical)":"449.1078","Error (ppm)":"1.92","Formular":"C21H20O11","Precursor ions (Q1)":"449.1087","Product ions (Q3)":"287.2","Main fragments":"287.2, 413.1, 353.1, 329.2, 299.2","Local ID":"m0478"},{"Metabolite":"Eriodictyol C-hexoside","retention time":"7.32","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"451.1","Product ions (Q3)":"331.1","Main fragments":"331.1, 433.1, 385.1, 355.1, 301.2, 285.2","Local ID":"m0481"},{"Metabolite":"Chrysoeriol 5-O-hexoside","retention time":"8.48","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"463.1233","MW (theoretical)":"463.1235","Error (ppm)":"0.41","Formular":"C22H22O11","Precursor ions (Q1)":"463.1233","Product ions (Q3)":"301.1","Main fragments":"301.1, 286.3, 258.4","Local ID":"m0505"},{"Metabolite":"O-methylluteolin C-hexoside","retention time":"7.48","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"463.1234","MW (theoretical)":"463.1235","Error (ppm)":"0.19","Formular":"C22H22O11","Precursor ions (Q1)":"463.1234","Product ions (Q3)":"313.1","Main fragments":"313.1, 367.0, 343.0","Local ID":"m0506"},{"Metabolite":"Chrysoeriol 7-O-hexoside","retention time":"9.3","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"463.1234","MW (theoretical)":"463.1235","Error (ppm)":"0.19","Formular":"C22H22O11","Precursor ions (Q1)":"463.1234","Product ions (Q3)":"301.1","Main fragments":"301.1, 286.3, 258.4","Local ID":"m0508"},{"Metabolite":"Chrysoeriol C-hexoside","retention time":"8.27","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"463.1239","MW (theoretical)":"463.1235","Error (ppm)":"0.89","Formular":"C22H22O11","Precursor ions (Q1)":"463.1239","Product ions (Q3)":"313.1","Main fragments":"313.1, 367.0, 343.0, 298.0","Local ID":"m0509"},{"Metabolite":"Delphinidin 3-O-glucoside","retention time":"5.11","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"465.103","MW (theoretical)":"465.1033","Error (ppm)":"0.65","Formular":"C21H21O12","Precursor ions (Q1)":"465.103","Product ions (Q3)":"303.1","Main fragments":"303.1, 405.2, 257.1, 229.1, 153.1","Local ID":"m0516"},{"Metabolite":"N', N'-Coumaroyl, Feruloylspermidine","retention time":"6.63","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"468.2","Product ions (Q3)":"204.2","Main fragments":"204.2, 234.1, 147.2, 177.2, 292.2, 275.2","Local ID":"m0518"},{"Metabolite":"flavonoid-glycoside 2","retention time":"10.05","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"469.113","MW (theoretical)":"469.1129","Error (ppm)":"0.16","Formular":"C24H20O10","Precursor ions (Q1)":"469.113","Product ions (Q3)":"315.1","Main fragments":"315.1, 423.1, 352.0, 270.2, 257.1","Local ID":"m0520"},{"Metabolite":"O-methylchrysoeriol C-hexoside","retention time":"8.13","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"477.139","MW (theoretical)":"477.1391","Error (ppm)":"0.29","Formular":"C23H24O11","Precursor ions (Q1)":"477.139","Product ions (Q3)":"297.2","Main fragments":"297.2, 459.2, 441.3, 411.3, 381.4, 357.3","Local ID":"m0545"},{"Metabolite":"O-methylChrysoeriol O-hexoside","retention time":"11","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"477.1396","MW (theoretical)":"477.1391","Error (ppm)":"0.97","Formular":"C23H24O11","Precursor ions (Q1)":"477.1396","Product ions (Q3)":"315","Main fragments":"315.0, 441.1, 381.1, 357.1, 327.1","Local ID":"m0546"},{"Metabolite":"O-methylQuercetin O-hexoside","retention time":"8.36","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"479.1184","MW (theoretical)":"479.1184","Error (ppm)":"0.01","Formular":"C22H22O12","Precursor ions (Q1)":"479.1184","Product ions (Q3)":"317.2","Main fragments":"317.2, 383.1, 359.2, 329.1, 302.2, 274.2","Local ID":"m0556"},{"Metabolite":"Selgin O-hexoside","retention time":"7.65","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"479.1182","MW (theoretical)":"479.1184","Error (ppm)":"0.58","Formular":"C22H22O12","Precursor ions (Q1)":"479.1182","Product ions (Q3)":"317.1","Main fragments":"317.1, 460.9, 302.1, 274.2","Local ID":"m0558"},{"Metabolite":"Malvidin O-hexoside","retention time":"6.52","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"493.1341","MW (theoretical)":"493.1341","Error (ppm)":"0.1","Formular":"C23H25O12","Precursor ions (Q1)":"493.1341","Product ions (Q3)":"331","Main fragments":"331.0, 315.0, 270.2","Local ID":"m0577"},{"Metabolite":"Tricin 5-O-hexoside","retention time":"8.75","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"493.1339","MW (theoretical)":"493.1341","Error (ppm)":"0.31","Formular":"C23H24O12","Precursor ions (Q1)":"493.1339","Product ions (Q3)":"331.1","Main fragments":"331.1, 315.0, 270.2","Local ID":"m0578"},{"Metabolite":"LPC(1-acyl 16:0)","retention time":"18.64","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"496.3393","MW (theoretical)":"496.3398","Error (ppm)":"0.94","Formular":"C24H50NO7P","Precursor ions (Q1)":"496.3393","Product ions (Q3)":"184.2","Main fragments":"184.2, 478.3, 103.9, 79.2, 419.5, 283.4","Local ID":"m0584"},{"Metabolite":"Tricin 4'-O-(threo-β-4-hydroxyphenylglyceryl) ether","retention time":"11.85","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"497.1442","MW (theoretical)":"497.1442","Error (ppm)":"0.05","Formular":"C26H24O10","Precursor ions (Q1)":"497.1442","Product ions (Q3)":"331","Main fragments":"331.0, 315.1, 270.0, 320.8","Local ID":"m0588"},{"Metabolite":"Tricin 4'-O-(syringyl alcohol)ether","retention time":"11.31","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"497.1442","MW (theoretical)":"497.1442","Error (ppm)":"0.05","Formular":"C26H24O10","Precursor ions (Q1)":"497.1442","Product ions (Q3)":"331","Main fragments":"331.0, 315.1, 270.0, 320.8","Local ID":"m0592"},{"Metabolite":"naringenin derivative","retention time":"8.07","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"503.1909","MW (theoretical)":"503.1912","Error (ppm)":"0.54","Formular":"C26H30O10","Precursor ions (Q1)":"503.1909","Product ions (Q3)":"175.2","Main fragments":"175.2, 311.1, 251.2, 137.1","Local ID":"m0601"},{"Metabolite":"3’, 4’, 5’-Tricetin O-hexoside","retention time":"10.2","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"507.1501","MW (theoretical)":"507.1497","Error (ppm)":"0.78","Formular":"C24H26O12","Precursor ions (Q1)":"507.1501","Product ions (Q3)":"345.1","Main fragments":"345.1, 329.0, 315.1, 284.1, 255.1","Local ID":"m0605"},{"Metabolite":"flavonoid-glycoside 3","retention time":"8.05","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"521.1651","MW (theoretical)":"521.1654","Error (ppm)":"0.49","Formular":"C25H28O12","Precursor ions (Q1)":"521.1651","Product ions (Q3)":"359.2","Main fragments":"359.2, 374.1, 201.2, 145.2","Local ID":"m0636"},{"Metabolite":"LPC(1-acyl 18:1)","retention time":"18.82","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"522.3554","MW (theoretical)":"522.3554","Error (ppm)":"0.03","Formular":"C26H52NO7P","Precursor ions (Q1)":"522.3554","Product ions (Q3)":"184.1","Main fragments":"184.1, 504.4, 337.3, 125.1, 104.2, 86.2","Local ID":"m0639"},{"Metabolite":"Tricin 4'-O-(β-guaiacylglyceryl) ether 1","retention time":"8.9","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"527.1546","MW (theoretical)":"527.1548","Error (ppm)":"0.36","Formular":"C27H26O11","Precursor ions (Q1)":"527.1546","Product ions (Q3)":"331","Main fragments":"331.0, 315.0, 270.2","Local ID":"m0644"},{"Metabolite":"Tricin 4'-O-(β-guaiacylglyceryl) ether 2","retention time":"12.04","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"527.1549","MW (theoretical)":"527.1548","Error (ppm)":"0.21","Formular":"C27H26O11","Precursor ions (Q1)":"527.1549","Product ions (Q3)":"331","Main fragments":"331.0, 315.0, 270.2","Local ID":"m0645"},{"Metabolite":"di-C,C-pentosyl-apigenin","retention time":"7.82","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"535.1438","MW (theoretical)":"535.1446","Error (ppm)":"1.53","Formular":"C25H26O13","Precursor ions (Q1)":"535.1438","Product ions (Q3)":"499.3","Main fragments":"499.3, 481.3, 433.4, 381.5, 349.7","Local ID":"m0656"},{"Metabolite":"LPC(1-acyl 20:4)","retention time":"19.03","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"544.3376","MW (theoretical)":"544.3398","Error (ppm)":"3.99","Formular":"C28H50NO7P","Precursor ions (Q1)":"544.3376","Product ions (Q3)":"485.2","Main fragments":"485.2, 104.0, 147.1, 339.1","Local ID":"m0672"},{"Metabolite":"Chrysoeriol O-malonyhexoside","retention time":"10.9","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"549.1234","MW (theoretical)":"549.1239","Error (ppm)":"0.88","Formular":"C25H24O14","Precursor ions (Q1)":"549.1234","Product ions (Q3)":"301.1","Main fragments":"301.1, 347.1, 286.1, 177.1","Local ID":"m0681"},{"Metabolite":"di-C,C-pentosyl-luteolin","retention time":"7.12","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"551.1398","MW (theoretical)":"551.1395","Error (ppm)":"0.49","Formular":"C25H26O14","Precursor ions (Q1)":"551.1398","Product ions (Q3)":"497.2","Main fragments":"497.2, 515.2, 407.1, 395.1, 365.1, 337.2","Local ID":"m0686"},{"Metabolite":"flavonoid-glycoside 4","retention time":"13.15","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"557.1653","MW (theoretical)":"557.1654","Error (ppm)":"0.09","Formular":"C28H28O12","Precursor ions (Q1)":"557.1653","Product ions (Q3)":"177.1","Main fragments":"177.1, 304.1, 285.1, 169.2, 145.1, 117.1","Local ID":"m0695"},{"Metabolite":"C-pentosyl-apigenin O-hexoside","retention time":"8.54","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"565.1554","MW (theoretical)":"565.1552","Error (ppm)":"0.39","Formular":"C26H28O14","Precursor ions (Q1)":"565.1554","Product ions (Q3)":"367.1","Main fragments":"367.1, 403.0, 337.1, 313.1, 283.0","Local ID":"m0705"},{"Metabolite":"C-hexosyl-C-pentosyl-apigenin","retention time":"7.07","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"565.1553","MW (theoretical)":"565.1552","Error (ppm)":"0.21","Formular":"C26H28O14","Precursor ions (Q1)":"565.1553","Product ions (Q3)":"499.2","Main fragments":"499.2, 547.3, 511.3, 427.4, 379.5, 337.7","Local ID":"m0706"},{"Metabolite":"flavonoid-glycoside 5","retention time":"8.79","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"577.1552","MW (theoretical)":"577.1552","Error (ppm)":"0.03","Formular":"C27H28O14","Precursor ions (Q1)":"577.1552","Product ions (Q3)":"337.1","Main fragments":"337.1, 545.2, 397.2, 207.2","Local ID":"m0720"},{"Metabolite":"Apigenin 7-O-rutinoside","retention time":"8.68","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"579.2","Product ions (Q3)":"271.2","Main fragments":"271.2, 561.2, 543.2, 525.2, 409.2, 379.2","Local ID":"m0722"},{"Metabolite":"Tricin O-malonylhexoside","retention time":"10.8","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"579.1344","MW (theoretical)":"579.1344","Error (ppm)":"0.09","Formular":"C26H26O15","Precursor ions (Q1)":"579.1344","Product ions (Q3)":"331.1","Main fragments":"331.1, 535.1, 493.1, 315.2, 287.1, 270.2","Local ID":"m0723"},{"Metabolite":"C-rhamnosyl-apigenin O-hexoside","retention time":"7.94","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"579.1714","MW (theoretical)":"579.1708","Error (ppm)":"0.98","Formular":"C27H30O14","Precursor ions (Q1)":"579.1714","Product ions (Q3)":"525.2","Main fragments":"525.2, 561.2, 379.2, 337.2, 325.2, 295.2","Local ID":"m0724"},{"Metabolite":"C-hexosyl-luteolin O-pentoside","retention time":"7.73","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"581.1505","MW (theoretical)":"581.1501","Error (ppm)":"0.7","Formular":"C26H28O15","Precursor ions (Q1)":"581.1505","Product ions (Q3)":"383.2","Main fragments":"383.2, 419.1, 365.2, 353.2, 329.2, 299.2","Local ID":"m0726"},{"Metabolite":"3’, 4’, 5’-Tricetin O-malonylhexoside","retention time":"12.7","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"593.1","Product ions (Q3)":"345.1","Main fragments":"345.1, 330.1, 312.1, 284.1","Local ID":"m0734"},{"Metabolite":"C-hexosyl-apigenin derivative 2","retention time":"7.58","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"595.1662","MW (theoretical)":"595.1657","Error (ppm)":"0.76","Formular":"C27H30O15","Precursor ions (Q1)":"595.1662","Product ions (Q3)":"283.3","Main fragments":"283.3, 577.2, 559.3, 409.3, 355.4, 325.4","Local ID":"m0739"},{"Metabolite":"Cyanidin 3-O-rutinoside","retention time":"5.24","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"595.1653","MW (theoretical)":"595.1657","Error (ppm)":"0.75","Formular":"C27H31O15","Precursor ions (Q1)":"595.1653","Product ions (Q3)":"287.1","Main fragments":"287.1, 415.1, 397.1, 153.1","Local ID":"m0740"},{"Metabolite":"C-pentosyl-chrysoeriol O-hexoside","retention time":"8.62","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"595.1663","MW (theoretical)":"595.1657","Error (ppm)":"0.93","Formular":"C27H30O15","Precursor ions (Q1)":"595.1663","Product ions (Q3)":"397.1","Main fragments":"397.1, 433.1, 379.2, 367.2, 343.2, 313.3","Local ID":"m0741"},{"Metabolite":"di-C,C-hexosyl-apigenin","retention time":"7.35","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"595.1659","MW (theoretical)":"595.1657","Error (ppm)":"0.26","Formular":"C27H30O15","Precursor ions (Q1)":"595.1659","Product ions (Q3)":"409.2","Main fragments":"409.2, 577.2, 559.3, 439.3, 379.2, 355.4","Local ID":"m0742"},{"Metabolite":"Chrysoeriol O-rutinoside","retention time":"8.62","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"609.1814","MW (theoretical)":"609.1814","Error (ppm)":"0.17","Formular":"C28H32O15","Precursor ions (Q1)":"609.1814","Product ions (Q3)":"301.1","Main fragments":"301.1, 463.1, 327.1, 286.1","Local ID":"m0760"},{"Metabolite":"C-hexosyl-luteolin O-hexoside","retention time":"6.91","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"611.1609","MW (theoretical)":"611.1607","Error (ppm)":"0.39","Formular":"C27H30O16","Precursor ions (Q1)":"611.1609","Product ions (Q3)":"299","Main fragments":"299.0, 449.1, 353.4, 329.6","Local ID":"m0762"},{"Metabolite":"di-C,C-hexosyl-luteolin","retention time":"6.21","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"611.1613","MW (theoretical)":"611.1607","Error (ppm)":"1.05","Formular":"C27H30O16","Precursor ions (Q1)":"611.1613","Product ions (Q3)":"473.1","Main fragments":"473.1, 425.1, 395.1, 341.1","Local ID":"m0763"},{"Metabolite":"C-hexosyl-chrysoeriol O-hexoside 1","retention time":"7.75","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"625.1766","MW (theoretical)":"625.1763","Error (ppm)":"0.46","Formular":"C28H32O16","Precursor ions (Q1)":"625.1766","Product ions (Q3)":"463","Main fragments":"463.0, 445.4, 427.4, 409.4, 397.4, 367.4","Local ID":"m0776"},{"Metabolite":"C-hexosyl-chrysoeriol O-hexoside 2","retention time":"6.68","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"625.1771","MW (theoretical)":"625.1763","Error (ppm)":"1.26","Formular":"C28H32O16","Precursor ions (Q1)":"625.1771","Product ions (Q3)":"607.1","Main fragments":"607.1, 565.3, 367.1, 343.1, 313.1","Local ID":"m0778"},{"Metabolite":"di-C,C-hexosyl-chrysoeriol","retention time":"6","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"625.1766","MW (theoretical)":"625.1763","Error (ppm)":"0.46","Formular":"C28H32O16","Precursor ions (Q1)":"625.1766","Product ions (Q3)":"607.2","Main fragments":"607.2, 463.2, 391.1, 367.1, 343.1, 313.1","Local ID":"m0779"},{"Metabolite":"Tricin O-rutinoside","retention time":"8.55","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"639.1918","MW (theoretical)":"639.192","Error (ppm)":"0.25","Formular":"C29H34O16","Precursor ions (Q1)":"639.1918","Product ions (Q3)":"330.6","Main fragments":"330.6, 493.2, 315.4, 270.5, 85.1","Local ID":"m0794"},{"Metabolite":"Tricin O-hexosyl-O-hexoside 1","retention time":"7.74","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"655.1879","MW (theoretical)":"655.1869","Error (ppm)":"1.57","Formular":"C29H34O17","Precursor ions (Q1)":"655.1879","Product ions (Q3)":"330.9","Main fragments":"330.9, 475.0, 373.1, 315.2, 287.1, 270.1","Local ID":"m0814"},{"Metabolite":"Tricin O-hexosyl-O-hexoside 2","retention time":"6.65","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"655.1877","MW (theoretical)":"655.1869","Error (ppm)":"1.26","Formular":"C29H34O17","Precursor ions (Q1)":"655.1877","Product ions (Q3)":"331.1","Main fragments":"331.1, 493.1, 315.0","Local ID":"m0815"},{"Metabolite":"Tricin O-hexosyl-O-hexoside 3","retention time":"8.65","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"655.1869","MW (theoretical)":"655.1869","Error (ppm)":"0","Formular":"C29H34O17","Precursor ions (Q1)":"655.1869","Product ions (Q3)":"331","Main fragments":"331.0, 373.1, 347.0, 315.2, 270.2","Local ID":"m0817"},{"Metabolite":"Tricin 4'-O-(syringyl alcohol)ether O-hexoside 1","retention time":"8.96","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"659.1954","MW (theoretical)":"659.197","Error (ppm)":"2.5","Formular":"C32H34O15","Precursor ions (Q1)":"659.1954","Product ions (Q3)":"331","Main fragments":"331.0, 623.3, 497.1, 315.0, 209.3","Local ID":"m0821"},{"Metabolite":"Tricin 4'-O-(syringyl alcohol)ether O-hexoside 2","retention time":"10.2","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"659.1962","MW (theoretical)":"659.197","Error (ppm)":"1.29","Formular":"C32H34O15","Precursor ions (Q1)":"659.1962","Product ions (Q3)":"331.1","Main fragments":"331.1, 527.0, 497.2, 315.2, 270.2","Local ID":"m0822"},{"Metabolite":"Tricin 4'-O-(syringyl alcohol)ether O-hexoside 3","retention time":"9.57","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"659.1954","MW (theoretical)":"659.197","Error (ppm)":"2.5","Formular":"C32H34O15","Precursor ions (Q1)":"659.1954","Product ions (Q3)":"331","Main fragments":"331.0, 641.4, 527.2, 315.2","Local ID":"m0823"},{"Metabolite":"Tricin 4'-O-(β-guaiacylglyceryl) ether O-hexoside 1","retention time":"10.14","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"689.2082","MW (theoretical)":"689.2076","Error (ppm)":"0.86","Formular":"C33H36O16","Precursor ions (Q1)":"689.2082","Product ions (Q3)":"331","Main fragments":"331.0, 527.1, 375.2, 242.2, 181.2, 153.1","Local ID":"m0843"},{"Metabolite":"Tricin 4'-O-(β-guaiacylglyceryl) ether O-hexoside 2","retention time":"8.52","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"689.2082","MW (theoretical)":"689.2076","Error (ppm)":"0.86","Formular":"C33H36O16","Precursor ions (Q1)":"689.2082","Product ions (Q3)":"331","Main fragments":"331.0, 527.1, 375.2, 242.2, 181.2, 153.1","Local ID":"m0844"},{"Metabolite":"Tricin 4'-O-(β-guaiacylglyceryl) ether O-hexoside 3","retention time":"9.21","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"689.208","MW (theoretical)":"689.2076","Error (ppm)":"0.56","Formular":"C33H36O16","Precursor ions (Q1)":"689.208","Product ions (Q3)":"331.1","Main fragments":"331.1, 527.1, 375.2, 242.2, 181.2, 153.1","Local ID":"m0845"},{"Metabolite":"Tricin 4'-O-(β-guaiacylglyceryl) ether O-hexoside 4","retention time":"7.88","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"689.208","MW (theoretical)":"689.2076","Error (ppm)":"0.56","Formular":"C33H36O16","Precursor ions (Q1)":"689.208","Product ions (Q3)":"331.1","Main fragments":"331.1, 671.3, 527.2, 314.9, 153.1","Local ID":"m0846"},{"Metabolite":"Kaempferide 3-rhamnoside-7-(6''-succinylglucoside)","retention time":"10.2","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"709.1948","MW (theoretical)":"709.1974","Error (ppm)":"3.73","Formular":"C32H36O18","Precursor ions (Q1)":"709.1948","Product ions (Q3)":"207.2","Main fragments":"207.2, 529.4, 291.1, 175.2, 147.1","Local ID":"m0863"},{"Metabolite":"C-pentosyl-apigenin O-p-coumaroylhexoside 1","retention time":"9.36","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"711.1919","MW (theoretical)":"711.192","Error (ppm)":"0.09","Formular":"C35H34O16","Precursor ions (Q1)":"711.1919","Product ions (Q3)":"147.1","Main fragments":"147.1, 549.2, 367.1, 337.1, 313.1, 283.1","Local ID":"m0864"},{"Metabolite":"C-pentosyl-apigenin O-p-coumaroylhexoside 2","retention time":"9.73","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"711.1919","MW (theoretical)":"711.192","Error (ppm)":"0.09","Formular":"C35H34O16","Precursor ions (Q1)":"711.1919","Product ions (Q3)":"367.1","Main fragments":"367.1, 549.4, 349.1, 337.1, 283.2, 147.1","Local ID":"m0865"},{"Metabolite":"Tricin O-rhamnosyl-O-malonylhexoside","retention time":"10.31","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"725.2","Product ions (Q3)":"331.1","Main fragments":"331.1, 340.1, 579.1, 91.7","Local ID":"m0871"},{"Metabolite":"C-pentosyl-apigenin O-caffeoylhexoside","retention time":"8.98","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"727.1869","MW (theoretical)":"727.1869","Error (ppm)":"0","Formular":"C35H34O17","Precursor ions (Q1)":"727.1869","Product ions (Q3)":"163.2","Main fragments":"163.2, 283.2, 145.1, 565.0","Local ID":"m0873"},{"Metabolite":"C-pentosyl-apigenin O-rutinoside","retention time":"8.69","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"727.1882","MW (theoretical)":"727.1869","Error (ppm)":"1.82","Formular":"C35H34O17","Precursor ions (Q1)":"727.1882","Product ions (Q3)":"419.1","Main fragments":"419.1, 284.0, 331.2, 256.1","Local ID":"m0875"},{"Metabolite":"C-pentosyl-apeignin O-feruloylhexoside","retention time":"9.42","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"741.2027","MW (theoretical)":"741.2025","Error (ppm)":"0.28","Formular":"C36H36O17","Precursor ions (Q1)":"741.2027","Product ions (Q3)":"177.1","Main fragments":"177.1, 145.1, 283.3, 367.2","Local ID":"m0885"},{"Metabolite":"C-hexosyl-apigenin O-p-coumaroylhexoside 1","retention time":"8.81","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"741.2027","MW (theoretical)":"741.2025","Error (ppm)":"0.28","Formular":"C36H36O17","Precursor ions (Q1)":"741.2027","Product ions (Q3)":"147.2","Main fragments":"147.2, 579.3, 367.1, 337.0, 207.2","Local ID":"m0886"},{"Metabolite":"C-hexosyl-apigenin O-p-coumaroylhexoside 2","retention time":"8.38","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"741.2027","MW (theoretical)":"741.2025","Error (ppm)":"0.28","Formular":"C36H36O17","Precursor ions (Q1)":"741.2027","Product ions (Q3)":"147.2","Main fragments":"147.2, 579.3, 367.1, 337.0, 207.2","Local ID":"m0887"},{"Metabolite":"C-hexosyl-naringenin O-p-coumaroylhexoside 1","retention time":"9.31","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"60","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"743.1","Product ions (Q3)":"147.2","Main fragments":"147.2, 725.3, 462.1, 221.2, 77.2","Local ID":"m0888"},{"Metabolite":"C-hexosyl-naringenin O-p-coumaroylhexoside 2","retention time":"11.3","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"60","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"743.3","Product ions (Q3)":"147.2","Main fragments":"147.2, 725.3, 462.1, 221.2, 77.2","Local ID":"m0892"},{"Metabolite":"flavonoid-glycoside 6","retention time":"10.29","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"755.2","Product ions (Q3)":"177.1","Main fragments":"177.1, 593.2, 321.1, 297.1, 145.1","Local ID":"m0897"},{"Metabolite":"C-hexosyl-luteolin O-p-coumaroylhexoside","retention time":"7.62","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"60","MW (detected)":"757.1972","MW (theoretical)":"757.1974","Error (ppm)":"0.28","Formular":"C36H36O18","Precursor ions (Q1)":"757.1972","Product ions (Q3)":"147.1","Main fragments":"147.1, 595.3, 395.1, 329.0","Local ID":"m0898"},{"Metabolite":"C-hexosyl-apigenin O-caffeoylhexoside","retention time":"7.69","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"757.1972","MW (theoretical)":"757.1974","Error (ppm)":"0.28","Formular":"C36H36O18","Precursor ions (Q1)":"757.1972","Product ions (Q3)":"163.2","Main fragments":"163.2, 366.8, 337.0, 433.0, 283.0, 313.1","Local ID":"m0899"},{"Metabolite":"C-hexosyl-apigenin O-hexosyl-O-hexoside derivative","retention time":"6.64","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"757.2191","MW (theoretical)":"757.2186","Error (ppm)":"0.7","Formular":"C33H40O20","Precursor ions (Q1)":"757.2191","Product ions (Q3)":"595.2","Main fragments":"595.2, 366.8, 337.0, 433.0, 283.0, 313.1","Local ID":"m0900"},{"Metabolite":"C-hexosyl-apigenin O-hexosyl-O-hexoside","retention time":"8.07","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"757.4","Product ions (Q3)":"739.1","Main fragments":"739.1, 577.1, 637.3","Local ID":"m0901"},{"Metabolite":"C-hexosyl-naringenin O-hexosyl-O-hexoside","retention time":"9.59","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"759.2","Product ions (Q3)":"597.2","Main fragments":"597.2, 699.3, 462.1, 315.1, 207.2","Local ID":"m0904"},{"Metabolite":"C-hexosyl-chrysoeriol O-p-coumaroylhexoside 1","retention time":"8.86","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"771.2132","MW (theoretical)":"771.2131","Error (ppm)":"0.14","Formular":"C37H38O18","Precursor ions (Q1)":"771.2132","Product ions (Q3)":"147.2","Main fragments":"147.2, 463.2, 343.1","Local ID":"m0909"},{"Metabolite":"C-pentosyl-chrysoeriol O-feruloylhexoside 1","retention time":"9.39","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"771.212","MW (theoretical)":"771.2131","Error (ppm)":"1.42","Formular":"C37H38O18","Precursor ions (Q1)":"771.212","Product ions (Q3)":"177","Main fragments":"177.0, 433.1, 337.0, 591.1, 145.1, 283.0","Local ID":"m0910"},{"Metabolite":"C-hexosyl-apigenin O-feruloylhexoside","retention time":"8.58","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"771.2132","MW (theoretical)":"771.2131","Error (ppm)":"0.14","Formular":"C37H38O18","Precursor ions (Q1)":"771.2132","Product ions (Q3)":"177.1","Main fragments":"177.1, 433.1, 337.0, 591.1, 145.1","Local ID":"m0911"},{"Metabolite":"C-pentosyl-chrysoeriol O-feruloylhexoside 2","retention time":"9.01","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"771.212","MW (theoretical)":"771.2131","Error (ppm)":"1.42","Formular":"C37H38O18","Precursor ions (Q1)":"771.212","Product ions (Q3)":"177.2","Main fragments":"177.2, 433.1, 337.0, 591.1, 145.1, 283.0","Local ID":"m0912"},{"Metabolite":"C-hexosyl-chrysoeriol O-feruloylhexoside","retention time":"8.53","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"801.2243","MW (theoretical)":"801.2237","Error (ppm)":"0.81","Formular":"C38H40O19","Precursor ions (Q1)":"801.2243","Product ions (Q3)":"177.1","Main fragments":"177.1, 343.1, 313.1","Local ID":"m0926"},{"Metabolite":"Tricin 4'-O-(β-guaiacylglyceryl) ether-O-rutinoside","retention time":"9.19","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"60","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"835.5","Product ions (Q3)":"331.1","Main fragments":"331.1, 527.0, 816.8, 328.8","Local ID":"m0942"},{"Metabolite":"C-hexosyl-apigenin derivative 1","retention time":"7.28","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"919.2","Product ions (Q3)":"471.1","Main fragments":"471.1, 799.1, 679.2, 661.2, 621.2, 381.1","Local ID":"m0966"},{"Metabolite":"C-pentosyl-luteolin O-hexoside","retention time":"7.04","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"581.1503","MW (theoretical)":"581.1501","Error (ppm)":"0.35","Formular":"C26H28O15","Precursor ions (Q1)":"581.1503","Product ions (Q3)":"383.2","Main fragments":"383.2, 419.1, 365.2, 353.2, 329.2, 299.2","Local ID":"m0974"},{"Metabolite":"Tryptamine","retention time":"4.41","PubChem ID":"3985862","KEGG ID":"C00398","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"161.1071","MW (theoretical)":"161.1073","Error (ppm)":"1.4","Formular":"C10H12N2","Precursor ions (Q1)":"161.1071","Product ions (Q3)":"144.2","Main fragments":"144.2, 102.1, 91.1","Local ID":"m0980"},{"Metabolite":"Guanosine","retention time":"2.32","PubChem ID":"6802","KEGG ID":"C00387","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"284","Product ions (Q3)":"152.2","Main fragments":"152.2, 135.1, 110.1, 82.2","Local ID":"m0998"},{"Metabolite":"Chrysoeriol","retention time":"11.85","PubChem ID":"25203524","KEGG ID":"C04293","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"301.1","Product ions (Q3)":"286","Main fragments":"286.0, 258.1, 229.2, 153.0","Local ID":"m1002"},{"Metabolite":"Brevifolincarboxylic acid","retention time":"5.23","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"303.1074","MW (theoretical)":"303.1074","Error (ppm)":"0.15","Formular":"C13H18O8","Precursor ions (Q1)":"303.1074","Product ions (Q3)":"137.2","Main fragments":"137.2, 197.6, 76.9, 79.7","Local ID":"m1003"},{"Metabolite":"Quercetin derivative","retention time":"13","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"345.0971","MW (theoretical)":"345.0969","Error (ppm)":"0.64","Formular":"C18H16O7","Precursor ions (Q1)":"345.0971","Product ions (Q3)":"177.2","Main fragments":"177.2, 149.3, 145.2","Local ID":"m1010"},{"Metabolite":"Riboflavin","retention time":"6.72","PubChem ID":"12217","KEGG ID":"C00255","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"377.2","Product ions (Q3)":"243.1","Main fragments":"243.1, 145.1, 216.0, 172.3","Local ID":"m1016"},{"Metabolite":"Tricin O-sinapoylpentoside","retention time":"10.37","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"669.1833","MW (theoretical)":"669.1814","Error (ppm)":"2.85","Formular":"C33H32O15","Precursor ions (Q1)":"669.1833","Product ions (Q3)":"331","Main fragments":"331.0, 523.1, 315.1, 301.2, 270.1, 207.1","Local ID":"m1046"},{"Metabolite":"C-hexosyl-chrysoeriol O-p-coumaroylhexoside 2","retention time":"8.19","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"771.2132","MW (theoretical)":"771.2131","Error (ppm)":"0.14","Formular":"C37H38O18","Precursor ions (Q1)":"771.2132","Product ions (Q3)":"147.2","Main fragments":"147.2, 343.1","Local ID":"m1052"},{"Metabolite":"N-Sinapoylputrescine","retention time":"4.468","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"295.1654","MW (theoretical)":"295.1652","Error (ppm)":"0.57","Formular":"C15H22N2O4","Precursor ions (Q1)":"295.1654","Product ions (Q3)":"207.2","Main fragments":"207.2, 175.2, 147.2, 119.0","Local ID":"mr1008"},{"Metabolite":"N-p-Coumaroylagmatine","retention time":"5.05","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"277.166","MW (theoretical)":"277.1659","Error (ppm)":"0.35","Formular":"C14H20N4O2","Precursor ions (Q1)":"277.166","Product ions (Q3)":"147.2","Main fragments":"147.2, 119.0, 91.0","Local ID":"mr1010"},{"Metabolite":"N-Caffeoylagmatine","retention time":"3.366","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"293.1617","MW (theoretical)":"293.1608","Error (ppm)":"3.02","Formular":"C14H20N4O3","Precursor ions (Q1)":"293.1617","Product ions (Q3)":"163.2","Main fragments":"163.2, 233.1, 135.1, 89.0","Local ID":"mr1011"},{"Metabolite":"N-Caffeoylspermidine","retention time":"2.397","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"308.196","MW (theoretical)":"308.1969","Error (ppm)":"2.83","Formular":"C16H25N3O3","Precursor ions (Q1)":"308.196","Product ions (Q3)":"163.2","Main fragments":"163.2","Local ID":"mr1019"},{"Metabolite":"N-Feruloylspermidine","retention time":"4.256","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"322.2115","MW (theoretical)":"322.2125","Error (ppm)":"3.17","Formular":"C17H27N3O3","Precursor ions (Q1)":"322.2115","Product ions (Q3)":"177.2","Main fragments":"177.2","Local ID":"mr1020"},{"Metabolite":"N', N''-Di-p-Coumaroylspermidine","retention time":"6.428","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"438.2391","MW (theoretical)":"438.2387","Error (ppm)":"0.84","Formular":"C25H31N3O4","Precursor ions (Q1)":"438.2391","Product ions (Q3)":"147.2","Main fragments":"147.2, 292.0, 204.2, 119.1","Local ID":"mr1022"},{"Metabolite":"N', N'', N'''-DiFeruloyl,Sinapoylspermidine","retention time":"10.318","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"704.1","Product ions (Q3)":"177.2","Main fragments":"177.2, 145.1, 109.0","Local ID":"mr1025"},{"Metabolite":"Kynurenic acid","retention time":"8.204","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"190.0496","MW (theoretical)":"190.0499","Error (ppm)":"1.43","Formular":"C10H7NO3","Precursor ions (Q1)":"190.0496","Product ions (Q3)":"144","Main fragments":"144.0, 116.0","Local ID":"mr1035"},{"Metabolite":"Denin","retention time":"16.135","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"694.4009","MW (theoretical)":"694.4008","Error (ppm)":"0.1","Formular":"C33H56O14","Precursor ions (Q1)":"694.4009","Product ions (Q3)":"353.3","Main fragments":"353.3, 488.3, 261.2, 163.1","Local ID":"mr1041"},{"Metabolite":"Coumaric acid","retention time":"12.476","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"165.0544","MW (theoretical)":"165.0546","Error (ppm)":"1.34","Formular":"C9H8O3","Precursor ions (Q1)":"165.0544","Product ions (Q3)":"95.1","Main fragments":"95.1, 147.2, 119.1, 109.2, 83.1","Local ID":"mr1046"},{"Metabolite":"Selgin C-hexoside","retention time":"8","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"479.1184","MW (theoretical)":"479.1184","Error (ppm)":"0.01","Formular":"C22H22O12","Precursor ions (Q1)":"479.1184","Product ions (Q3)":"329.1","Main fragments":"329.1, 383.1, 359.2, 302.2, 274.2","Local ID":"mr1081"},{"Metabolite":"Hesperetin 5-O-glucoside","retention time":"8.359","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"465.1","Product ions (Q3)":"303.1","Main fragments":"303.1","Local ID":"mr1145"},{"Metabolite":"C-hexosyl-tricetin O-pentoside","retention time":"7.805","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"611.2","Product ions (Q3)":"465.1","Main fragments":"465.1, 411.2, 399.2, 315.1","Local ID":"mr1146"},{"Metabolite":"Naringenin C-hexoside","retention time":"7.828","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"435.1","Product ions (Q3)":"285.1","Main fragments":"285.1, 195.0","Local ID":"mr1149"},{"Metabolite":"Naringenin-7-O-glucoside","retention time":"8.812","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"435.1","Product ions (Q3)":"273.1","Main fragments":"273.1, 153.0, 147.0","Local ID":"mr1151"},{"Metabolite":"Pyridoxine","retention time":"1.605","PubChem ID":"1054","KEGG ID":"C00314","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"170.1","Product ions (Q3)":"134.1","Main fragments":"134.1, 152.1, 124.1, 106.1","Local ID":"mr1158"},{"Metabolite":"Chlorogenic acid","retention time":"5.928","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"355.1","Product ions (Q3)":"163","Main fragments":"163","Local ID":"mr1161"},{"Metabolite":"Caffeoyl shikimic acid","retention time":"7.194","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"337.0903","MW (theoretical)":"337.0918","Error (ppm)":"4.45","Formular":"C16H16O8","Precursor ions (Q1)":"337.0903","Product ions (Q3)":"163","Main fragments":"163","Local ID":"mr1170"},{"Metabolite":"4-O-p-Coumaroylquinic acid","retention time":"6.849","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"339.1076","MW (theoretical)":"339.1074","Error (ppm)":"0.46","Formular":"C16H18O8","Precursor ions (Q1)":"339.1076","Product ions (Q3)":"147","Main fragments":"147.0, 119.1, 97.1","Local ID":"mr1183"},{"Metabolite":"p-Coumaroyl-2-hydroxyputrescine","retention time":"4.911","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"251.2","Product ions (Q3)":"147.2","Main fragments":"147.2, 191.2, 175.2, 119.1, 91.1","Local ID":"mr1191"},{"Metabolite":"Tricetin O-hexoside","retention time":"9","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"465","Product ions (Q3)":"303","Main fragments":"303","Local ID":"mr1252"},{"Metabolite":"flavonoid-glycoside 7","retention time":"12","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"503","Product ions (Q3)":"255","Main fragments":"255","Local ID":"mr1253"},{"Metabolite":"Selgin O-malonylhexoside","retention time":"10.1","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"565","Product ions (Q3)":"317","Main fragments":"317","Local ID":"mr1257"},{"Metabolite":"N', N'', N'''-DiFeruloyl, p-Cinnamoylagamtine","retention time":"11.669","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"613.2","Product ions (Q3)":"177.2","Main fragments":"177.2, 145.2","Local ID":"mr1259"},{"Metabolite":"N', N''-DiFeruloylagamtine-N-arabinoside","retention time":"7.219","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"615","Product ions (Q3)":"177","Main fragments":"177.0, 145.2","Local ID":"mr1260"},{"Metabolite":"Naringenin","retention time":"11.695","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"273.1","Product ions (Q3)":"153","Main fragments":"153.0, 147.0, 119.0","Local ID":"mr1263"},{"Metabolite":"N-Feruloyltyramine","retention time":"5.051","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"314.1384","MW (theoretical)":"314.1387","Error (ppm)":"0.91","Formular":"C18H19NO4","Precursor ions (Q1)":"314.1384","Product ions (Q3)":"177.2","Main fragments":"177.2, 145.2, 121.2, 91.0","Local ID":"mr1268"},{"Metabolite":"Sinapoyl O-hexoside","retention time":"6.856","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"404.1554","MW (theoretical)":"404.1551","Error (ppm)":"0.72","Formular":"C17H22O10","Precursor ions (Q1)":"404.1554","Product ions (Q3)":"207.1","Main fragments":"207.1, 175.1, 147.1, 119.0","Local ID":"mr1272"},{"Metabolite":"Cyanidin 3-O-arabinopyranoside","retention time":"5.878","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"419.0972","MW (theoretical)":"419.0971","Error (ppm)":"0.23","Formular":"C20H19O10","Precursor ions (Q1)":"419.0972","Product ions (Q3)":"357","Main fragments":"357.0, 287.0, 275.2","Local ID":"mr1273"},{"Metabolite":"Peonidin O-hexoside","retention time":"5.831","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"463.1233","MW (theoretical)":"463.1235","Error (ppm)":"0.41","Formular":"C22H23O11","Precursor ions (Q1)":"463.1233","Product ions (Q3)":"301","Main fragments":"301.0, 286.1, 258.2","Local ID":"mr1274"},{"Metabolite":"Tricin 7-O-hexoside","retention time":"8.902","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"493.1339","MW (theoretical)":"493.1341","Error (ppm)":"0.31","Formular":"C23H24O12","Precursor ions (Q1)":"493.1339","Product ions (Q3)":"331.1","Main fragments":"331.1, 315.0, 270.2","Local ID":"mr1275"},{"Metabolite":"9,17-Octadecadiene-12,14-diyne-1,11,16-triol","retention time":"13.404","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"291.1954","MW (theoretical)":"291.1955","Error (ppm)":"0.25","Formular":"C18H26O3","Precursor ions (Q1)":"291.1954","Product ions (Q3)":"109.1","Main fragments":"109.1, 149.1, 131.1, 81.1","Local ID":"mr1288"},{"Metabolite":"Ferulic acid O-hexoside","retention time":"6.772","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"357.118","MW (theoretical)":"357.118","Error (ppm)":"0.02","Formular":"C16H20O9","Precursor ions (Q1)":"357.118","Product ions (Q3)":"177.1","Main fragments":"177.1, 145.0, 117.0","Local ID":"mr1295"},{"Metabolite":"LPC(1-acyl 18:3)","retention time":"19.324","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"518.3234","MW (theoretical)":"518.3241","Error (ppm)":"1.38","Formular":"C26H48NO7P","Precursor ions (Q1)":"518.3234","Product ions (Q3)":"459.3","Main fragments":"459.3, 313.3, 184.2, 104.2, 86.2","Local ID":"mr1417"},{"Metabolite":"LPC(1-acyl 18:2)","retention time":"17.554","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"520.3393","MW (theoretical)":"520.3398","Error (ppm)":"0.9","Formular":"C26H50NO7P","Precursor ions (Q1)":"520.3393","Product ions (Q3)":"184.2","Main fragments":"184.2, 502.7, 182.3, 185.5","Local ID":"mr1418"},{"Metabolite":"LPC(1-acyl 16:2)","retention time":"15.428","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"492.3082","MW (theoretical)":"492.3085","Error (ppm)":"0.54","Formular":"C24H46NO7P","Precursor ions (Q1)":"492.3082","Product ions (Q3)":"184","Main fragments":"184.0, 474.0, 104.0","Local ID":"mr1466"},{"Metabolite":"N', N''-Feruloyl, Caffeoylspermidine","retention time":"6.22","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"484.2421","MW (theoretical)":"484.2442","Error (ppm)":"4.37","Formular":"C26H33N3O6","Precursor ions (Q1)":"484.2421","Product ions (Q3)":"220.1","Main fragments":"220.1, 177.1, 163.0, 147.0","Local ID":"mr1489"},{"Metabolite":"N', N''-Di-p-Coumaroylspermine","retention time":"4.958","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"495.2965","MW (theoretical)":"495.2966","Error (ppm)":"0.17","Formular":"C28H28N4O4","Precursor ions (Q1)":"495.2965","Product ions (Q3)":"275.2","Main fragments":"275.2, 204.1, 147.0, 129.1","Local ID":"mr1490"},{"Metabolite":"C-hexosyl-chrysoeriol O-caffeoylhexoside","retention time":"7.845","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"787.2082","MW (theoretical)":"787.208","Error (ppm)":"0.25","Formular":"C37H38O19","Precursor ions (Q1)":"787.2082","Product ions (Q3)":"463.1","Main fragments":"463.1, 625.2, 343.1, 163.0","Local ID":"mr1495"},{"Metabolite":"C-hexosyl-luteolin O-feruloylhexoside","retention time":"7.577","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"787.2082","MW (theoretical)":"787.208","Error (ppm)":"0.25","Formular":"C37H38O19","Precursor ions (Q1)":"787.2082","Product ions (Q3)":"449.1","Main fragments":"449.1, 383.1, 329.1, 177.1","Local ID":"mr1496"},{"Metabolite":"Phellodenol H","retention time":"7.899","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"369.1186","MW (theoretical)":"369.118","Error (ppm)":"1.61","Formular":"C17H20O9","Precursor ions (Q1)":"369.1186","Product ions (Q3)":"207.1","Main fragments":"207.1, 351.1, 233.2, 175.1, 147.1","Local ID":"mr1531"},{"Metabolite":"Phellodenol H O-hexoside","retention time":"6.907","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"40","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"531.5","Product ions (Q3)":"369","Main fragments":"369.0, 175.2, 147.1","Local ID":"mr1807"},{"Metabolite":"Tricin O-sinapoylhexoside","retention time":"10.65","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"699.1936","MW (theoretical)":"699.192","Error (ppm)":"2.35","Formular":"C34H34O16","Precursor ions (Q1)":"699.1936","Product ions (Q3)":"331.1","Main fragments":"331.1, 463.0, 207.1, 175.1","Local ID":"mr1896"},{"Metabolite":"Chrysoeriol O-feruloylhexosyl-O-hexoside","retention time":"9.442","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"50","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"801","Product ions (Q3)":"301.1","Main fragments":"301.1, 639.2, 463.1, 177.2","Local ID":"mr1934"},{"Metabolite":"Tricin 4'-O-(β-guaiacylglyceryl) ether 5-O-hexosyl-O-hexoside","retention time":"7.662","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"60","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"851.6","Product ions (Q3)":"331","Main fragments":"331.0, 329.0, 671.2, 527.2","Local ID":"mr1949"},{"Metabolite":"Cysteine","retention time":"1.52","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"122","Product ions (Q3)":"105","Main fragments":"","Local ID":"mr2007"},{"Metabolite":"Methylcytosine","retention time":"1.6","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"126.1","Product ions (Q3)":"83.1","Main fragments":"","Local ID":"mr2010"},{"Metabolite":"Agmatine","retention time":"1.56","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"131.1","Product ions (Q3)":"72.1","Main fragments":"","Local ID":"mr2012"},{"Metabolite":"Cinnamaldehyde","retention time":"8.72","PubChem ID":"637511","KEGG ID":"C00903","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"133.1","Product ions (Q3)":"115.1","Main fragments":"","Local ID":"mr2013"},{"Metabolite":"Homoisoleucine","retention time":"3.45","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"146.1","Product ions (Q3)":"86.1","Main fragments":"","Local ID":"mr2017"},{"Metabolite":"Spermidine","retention time":"1.2","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"146.2","Product ions (Q3)":"72.1","Main fragments":"","Local ID":"mr2019"},{"Metabolite":"Coumarin","retention time":"6.41","PubChem ID":"323","KEGG ID":"C05851","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"147","Product ions (Q3)":"91.1","Main fragments":"","Local ID":"mr2020"},{"Metabolite":"Guanine","retention time":"1.68","PubChem ID":"764","KEGG ID":"C00242","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"152","Product ions (Q3)":"135","Main fragments":"","Local ID":"mr2025"},{"Metabolite":"Methyl salicylic acid","retention time":"9.35","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"153.1","Product ions (Q3)":"97.1","Main fragments":"","Local ID":"mr2027"},{"Metabolite":"Dihydroxy benzoic acid","retention time":"6.27","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"155","Product ions (Q3)":"137","Main fragments":"","Local ID":"mr2029"},{"Metabolite":"N-Methyltryptamine","retention time":"1.11","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"175.1","Product ions (Q3)":"115.1","Main fragments":"","Local ID":"mr2037"},{"Metabolite":"Methoxycinnamic acid","retention time":"12.6","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"179.1","Product ions (Q3)":"161.1","Main fragments":"","Local ID":"mr2040"},{"Metabolite":"4-Pyridoxic acid","retention time":"3.67","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"184.1","Product ions (Q3)":"148","Main fragments":"","Local ID":"mr2048"},{"Metabolite":"N-acetylglutamic acid","retention time":"2.84","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"190.1","Product ions (Q3)":"130","Main fragments":"","Local ID":"mr2052"},{"Metabolite":"Spermine","retention time":"1.1","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"203.2","Product ions (Q3)":"84.1","Main fragments":"","Local ID":"mr2060"},{"Metabolite":"N6-(delta2-isopentenyl)-adenine","retention time":"8.38","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"204.2","Product ions (Q3)":"136.1","Main fragments":"","Local ID":"mr2061"},{"Metabolite":"Trans-Zeatin (tZ)","retention time":"5.42","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"220","Product ions (Q3)":"136","Main fragments":"","Local ID":"mr2066"},{"Metabolite":"Cis-Zeatin (cZ)","retention time":"5.69","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"220.2","Product ions (Q3)":"136.1","Main fragments":"","Local ID":"mr2068"},{"Metabolite":"Coumaroylcholine","retention time":"5.44","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"250.1","Product ions (Q3)":"191.1","Main fragments":"","Local ID":"mr2081"},{"Metabolite":"Apigenin derivative 3","retention time":"6.79","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"255.1","Product ions (Q3)":"153.1","Main fragments":"","Local ID":"mr2084"},{"Metabolite":"Caffeoylcholine","retention time":"5.18","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"266.1","Product ions (Q3)":"117","Main fragments":"","Local ID":"mr2088"},{"Metabolite":"Inosine","retention time":"3.4","PubChem ID":"6021","KEGG ID":"C00294","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"269.1","Product ions (Q3)":"137","Main fragments":"","Local ID":"mr2089"},{"Metabolite":"Saccharopine","retention time":"1.64","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"277.1","Product ions (Q3)":"84.1","Main fragments":"","Local ID":"mr2091"},{"Metabolite":"Kaempferol","retention time":"14.4","PubChem ID":"25202062","KEGG ID":"C05903","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"287","Product ions (Q3)":"167","Main fragments":"","Local ID":"mr2093"},{"Metabolite":"IAA-Glu","retention time":"8.2","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"305","Product ions (Q3)":"130","Main fragments":"","Local ID":"mr2098"},{"Metabolite":"Sinapoylcholine","retention time":"5.85","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"310.2","Product ions (Q3)":"251.1","Main fragments":"","Local ID":"mr2099"},{"Metabolite":"dUMP","retention time":"2.43","PubChem ID":"18601100","KEGG ID":"C00365","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"332.1","Product ions (Q3)":"136.1","Main fragments":"","Local ID":"mr2103"},{"Metabolite":"2'-Deoxyinosine-5'-monophosphate","retention time":"1.35","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"333.1","Product ions (Q3)":"137","Main fragments":"","Local ID":"mr2104"},{"Metabolite":"IAA-N-Glc","retention time":"8.46","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"338","Product ions (Q3)":"176","Main fragments":"","Local ID":"mr2107"},{"Metabolite":"Adenosine 3'-monophosphate","retention time":"1.68","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"348.1","Product ions (Q3)":"136.1","Main fragments":"","Local ID":"mr2114"},{"Metabolite":"IMP","retention time":"2.7","PubChem ID":"7140378","KEGG ID":"C00130","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"349","Product ions (Q3)":"137","Main fragments":"","Local ID":"mr2115"},{"Metabolite":"Zeatin derivative","retention time":"6.3","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"352.2","Product ions (Q3)":"220.1","Main fragments":"","Local ID":"mr2117"},{"Metabolite":"Cis-zeatin riboside","retention time":"6.53","PubChem ID":"13935024","KEGG ID":"C16449","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"352.2","Product ions (Q3)":"220.2","Main fragments":"","Local ID":"mr2118"},{"Metabolite":"GMP","retention time":"2.75","PubChem ID":"1807035","KEGG ID":"C00144","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"364.1","Product ions (Q3)":"152.1","Main fragments":"","Local ID":"mr2126"},{"Metabolite":"N6-isopentenyladenine 7-glucoside","retention time":"7.4","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"366.2","Product ions (Q3)":"204.1","Main fragments":"","Local ID":"mr2127"},{"Metabolite":"N6-isopentenyladenine 9-glucoside","retention time":"7.94","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"366.2","Product ions (Q3)":"204.2","Main fragments":"","Local ID":"mr2128"},{"Metabolite":"Cis-zeatin O-glucoside","retention time":"5.12","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"382.2","Product ions (Q3)":"220","Main fragments":"","Local ID":"mr2132"},{"Metabolite":"Trans-zeatin 9-glucoside","retention time":"5.24","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"382.2","Product ions (Q3)":"220.1","Main fragments":"","Local ID":"mr2133"},{"Metabolite":"CDP","retention time":"14.7","PubChem ID":"20056867","KEGG ID":"C00112","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"404","Product ions (Q3)":"387.2","Main fragments":"","Local ID":"mr2141"},{"Metabolite":"IAA-Asp-N-Glc","retention time":"7.17","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"453","Product ions (Q3)":"291","Main fragments":"","Local ID":"mr2147"},{"Metabolite":"IAA-Glu-N-Glc","retention time":"6.4","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"467","Product ions (Q3)":"130","Main fragments":"","Local ID":"mr2149"},{"Metabolite":"NAD+","retention time":"1.68","PubChem ID":"15938971","KEGG ID":"C00003","mass_s pectrum":"","Collision Energy (CE)":"30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"664.1","Product ions (Q3)":"136.1","Main fragments":"","Local ID":"mr2156"},{"Metabolite":"Salicylic acid","retention time":"10.8","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-22","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"136.9","Product ions (Q3)":"92.9","Main fragments":"","Local ID":"mr2166"},{"Metabolite":"Indole 5-carboxylic acid","retention time":"8.9","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-22","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"160","Product ions (Q3)":"116","Main fragments":"","Local ID":"mr2171"},{"Metabolite":"Indole-3-carboxylic acid","retention time":"9.1","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-22","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"160","Product ions (Q3)":"115.9","Main fragments":"","Local ID":"mr2172"},{"Metabolite":"Indoleacetic acid","retention time":"9.8","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-13","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"173.9","Product ions (Q3)":"129.9","Main fragments":"","Local ID":"mr2176"},{"Metabolite":"Coniferyl aldehyde","retention time":"9.5","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"177.1","Product ions (Q3)":"162","Main fragments":"","Local ID":"mr2178"},{"Metabolite":"Jasmonic acid","retention time":"12","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-24","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"209","Product ions (Q3)":"59","Main fragments":"134.1","Local ID":"mr2193"},{"Metabolite":"Methyl jasmonate","retention time":"14","PubChem ID":"5367719","KEGG ID":"C11512","mass_s pectrum":"","Collision Energy (CE)":"-60","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"223.1","Product ions (Q3)":"74.9","Main fragments":"","Local ID":"mr2199"},{"Metabolite":"Abscisic acids","retention time":"10.6","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-15","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"263","Product ions (Q3)":"153","Main fragments":"148.9725","Local ID":"mr2204"},{"Metabolite":"IAA-Asp","retention time":"6.9","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-22","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"289.1","Product ions (Q3)":"132","Main fragments":"171.2","Local ID":"mr2213"},{"Metabolite":"OPDA","retention time":"11.1","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"291","Product ions (Q3)":"165","Main fragments":"","Local ID":"mr2214"},{"Metabolite":"5'-Methylthioadenosine","retention time":"6","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-40","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"296.1","Product ions (Q3)":"134","Main fragments":"273","Local ID":"mr2217"},{"Metabolite":"Salicylic acid O-glucoside","retention time":"5.9","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-10","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"299","Product ions (Q3)":"137","Main fragments":"107.036","Local ID":"mr2218"},{"Metabolite":"JA-Val","retention time":"13.2","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"308","Product ions (Q3)":"116","Main fragments":"93","Local ID":"mr2222"},{"Metabolite":"JA-Ile","retention time":"9.5","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"321.9","Product ions (Q3)":"129.9","Main fragments":"","Local ID":"mr2229"},{"Metabolite":"Coumaric acid O-glucoside","retention time":"6.2","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-10","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"325","Product ions (Q3)":"163","Main fragments":"218.2","Local ID":"mr2231"},{"Metabolite":"3',5' cyclic AMP","retention time":"3.1","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-50","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"328.1","Product ions (Q3)":"134.1","Main fragments":"145.1","Local ID":"mr2232"},{"Metabolite":"Caffeic acid O-glucoside","retention time":"6","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-60","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"341","Product ions (Q3)":"135","Main fragments":"78.9723","Local ID":"mr2241"},{"Metabolite":"3',5' cyclic GMP","retention time":"2.7","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-30","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"344","Product ions (Q3)":"150","Main fragments":"179","Local ID":"mr2249"},{"Metabolite":"4-O-Caffeoylquinic acid (criptochlorogenic acid)","retention time":"6.5","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-20","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"353.1","Product ions (Q3)":"191","Main fragments":"344.0396","Local ID":"mr2261"},{"Metabolite":"JA-Phe","retention time":"8.4","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-10","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"356","Product ions (Q3)":"164","Main fragments":"179","Local ID":"mr2264"},{"Metabolite":"JA-Trp","retention time":"7.4","PubChem ID":"","KEGG ID":"","mass_s pectrum":"","Collision Energy (CE)":"-10","MW (detected)":"","MW (theoretical)":"","Error (ppm)":"","Formular":"","Precursor ions (Q1)":"365","Product ions (Q3)":"203","Main fragments":"194","Local ID":"mr2271"}]
}

}