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xuyuk

铁虫 (初入文坛)

[求助] 求助维谱数据

21.9,34.0, 34.5, 50.0, 51.2, 51.2,55.1,55.2,55.3,58.2,60.5,63.6, 63.7,69.3, 69.7,70.7,70.8,73.3,74.4,76.4,76.5,78.9,85.0,100.2,107.0, 109.3,112.3, 112.6,112.6,113.6,114.6,115.0,115.1,119.8,121.0,121.6,122.8,122.9,123.8,124.0,128.0, 128.4, 130.4, 135.2,147.4,147.6,149.1,150.3,151.7,16.3, 16.4, 16.7, 166.7, 178.0
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wangkaibo123

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kerry

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【答案】应助回帖

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感谢参与,应助指数 +1
xuyuk(豆哥代发): 金币+10, 谢谢 2013-11-11 09:24:07
查询模式:模糊查询
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似度:   %(相似度>=50%)



查询结果:共查到9个化合物(查询结果仅供参考)
1 .     pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-(6-(E)-feruloyl-β-D-glucopyranosyl)-(1→2)-β-D-glucopyranoside]-5-O-(β-D-glucopyranoside)
C53H57O26     相似度:51.8%
Phytochemistry          2002          60          79-87
Acylated anthocyanins from red radish (Raphanus sativus L.)
Takashi Otsuki, Hiroshi Matsufuji, Mitsuharu Takeda, Masatake Toyoda, Yukihiro Goda
Structure      13C NMR   碳谱模拟图
2 .     pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-(6-(E)-caffeoyl-β-D-glucopyranosyl)-(1→2)-β-D-glucopyranoside]-5-O-(β-D-glucopyranoside)
C52H55O26     相似度:50%
Phytochemistry          2002          60          79-87
Acylated anthocyanins from red radish (Raphanus sativus L.)
Takashi Otsuki, Hiroshi Matsufuji, Mitsuharu Takeda, Masatake Toyoda, Yukihiro Goda
Structure      13C NMR   碳谱模拟图
3 .     pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-(2-(E)-feruloyl-β-D-glucopyranosyl)-(1→2)-β-D-glucopyranoside]-5-O-(β-D-glucopyranoside)
C53H57O26     相似度:50%
Phytochemistry          2002          60          79-87
Acylated anthocyanins from red radish (Raphanus sativus L.)
Takashi Otsuki, Hiroshi Matsufuji, Mitsuharu Takeda, Masatake Toyoda, Yukihiro Goda
Structure      13C NMR   碳谱模拟图
4 .     watterose E
C54H64O30     相似度:50%
Journal of Natural Products          2000          63          1121-1126
Tetrasaccharide Multi-Esters and Xanthone Glycosides from the Roots of Polygala wattersii
Wataru Kobayashi, Toshio Miyase,Sayako Suzuki, Hiroshi Noguchi, and Xin-Min Chen
Structure      13C NMR   碳谱模拟图
5 .     YGM-6
    相似度:50%
Bioscience, Biotechnology, and Biochemistry          1999          63          1420-1424
Six Diacylated Anthocyanins from the Storage Roots of Purple Sweet Potato, Ipomoea batatas
Norihiko TERAHARA, Takashige SHIMIZU, Yoshiaki KATO, Mikio NAKAMURA, Tamio MAITANI, Masa-atsu YAMAGUCHI, Yukihiro GODA
Structure      13C NMR   碳谱模拟图
6 .     1,3,6,6'-tetra-feruoylsucrose
C52H54O23     相似度:50%
Food Chemistry          2013          136          1377-1389
Characterization and identification of the chemical constituents from tartary buckwheat (Fagopyrum tataricum Gaertn) by high performance liquid chromatography/photodiode array detector/linear ion trap FTICR hybrid mass spectrometry
Qiang Ren, Caisheng Wu, Yan Ren, Jinlan Zhang
Structure      13C NMR   碳谱模拟图
7 .     1,6,6'-tri-feruloyl-3-p-coumaroyl sucrose
C51H52O22     相似度:50%
Food Chemistry          2013          136          1377-1389
Characterization and identification of the chemical constituents from tartary buckwheat (Fagopyrum tataricum Gaertn) by high performance liquid chromatography/photodiode array detector/linear ion trap FTICR hybrid mass spectrometry
Qiang Ren, Caisheng Wu, Yan Ren, Jinlan Zhang
Structure      13C NMR   碳谱模拟图
8 .     MTX-Cpmd2.2
C53H64FN18O8     相似度:50%
Molecules          2013          18          11639-11657
A Modular Approach to Triazole-Containing Chemical Inducers of Dimerisation for Yeast Three-Hybrid Screening
Fanny Tran, Anahi V. Odell, Gary E. Ward and Nicholas J. Westwood
Structure      13C NMR   碳谱模拟图
9 .     Pyranoanthocyanin 8
    相似度:50%
Journal of Agricultural and Food Chemistry          2004          52          5095-5101
Isolation and Identification of Novel Pyranoanthocyanins from Black Carrot (Daucus carota L.) Juice
Michael Schwarz, Victor Wray, and Peter Winterhalter
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
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