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粒粒橙happy

银虫 (小有名气)

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注册: 2011-09-22
专业: 药物化学

[求助] 微谱数据查询

C谱数据如下
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, 130.4,135.2,147.4,147.6,149.1,150.3,151.7,166.3, 166.4,166.7,166.7,178.0

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Everythingispossible.

1楼 2013-11-07 15:41:44

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wangkaibo123

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感谢参与，应助指数 +1
粒粒橙happy: 金币+14 2013-11-07 16:24:15

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17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:55.5%
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 .    1,3,6,6'-tetra-feruoylsucrose
C52H54O23    相似度:55.5%
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
3 .    1,6,6'-tri-feruloyl-3-p-coumaroyl sucrose
C51H52O22    相似度:55.5%
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
4 .    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:53.7%
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
5 .    3,6-di-p-coumaroyl-1,6'-di-feruloyl sucrose
C50H50O21    相似度:53.7%
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
6 .    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: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
7 .    peonidin 3-O-[2-O-(2-O-(trans-feruloyl)-glucosyl)-6-O-(cis-p-coumaroyl)-glucoside]-5-O-[6-O-(malonyl)-glucoside]
C56H58O29    相似度:51.8%
Phytochemistry       2012       76       73-77
Triacylated peonidin 3-sophoroside-5-glucosides from the purple flowers of Moricandia ramburii Webb.
Fumi Tatsuzawa,Kanako Ito,Hiroki Muraoka,Toshiharu Namauo,Kazuhisa Kato,Yoshihito Takahata,Satoshi Ogawa
Structure    13C NMR 碳谱模拟图
8 .    3-O-[6-O-(E)-feruloyl-2-O-{6-O-(E)-p-coumaroyl-β-D-glucopyranosyl}-β-D-glucopyranosyl]-5-O-β-D-glucopyranosylpelargonidin
C52H54O25    相似度:51.8%
Chemical & Pharmaceutical Bulletin       2010       58       1259-1262
Six New Acylated Anthocyanins from Red Radish (Raphanus sativus)
Satoru Tamura, Kouji Tsuji, Piao Yongzhen, Mayumi Ohnishi-Kameyama and Nobutoshi Murakami
Structure    13C NMR 碳谱模拟图
9 .    3-O-(6-O-ferulyl-2-O-(2-O-sinapyl-β-D-glucopyranosyl)-β-D-glucopyranosyl)-5-O-(6-O-malonyl-β-D-glucopyranosyl)cyanidin
C57H60O31    相似度:51.8%
Bioscience, Biotechnology, and Biochemistry       1997       61       1929-1930
New Acylated Anthocyanins from Brassica campestris var. chinensis
Masahiro SUZUKI, Tadahiro NAGATA, Norihiko TERAHARA
Structure    13C NMR 碳谱模拟图
10 .    YGM-6
相似度:51.8%
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
11 .    dalmaisiose G
相似度:50.8%
Journal of Natural Products       2002       65       319-328
Polyphenolic Glycosides and Oligosaccharide Multiesters from the Roots of Polygala dalmaisiana
Satoko Kobayashi, Toshio Miyase, and Hiroshi Noguchi
Structure    13C NMR 碳谱模拟图
12 .    pelargonidin 3-O-[6-O-(E)-caffeoyl-2-O-(6-(E)-feruloyl-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
13 .    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
14 .    cyanidin 3-O-[2-O-(2-O-(trans-feruloyl)-glucosyl)-6-O-(trans-p-coumaroyl)-glucoside]-5-O-[6-O-(malonyl)-glucoside]
C55H56O29    相似度:50%
Phytochemistry       2012       76       73-77
Triacylated peonidin 3-sophoroside-5-glucosides from the purple flowers of Moricandia ramburii Webb.
Fumi Tatsuzawa,Kanako Ito,Hiroki Muraoka,Toshiharu Namauo,Kazuhisa Kato,Yoshihito Takahata,Satoshi Ogawa
Structure    13C NMR 碳谱模拟图
15 .    3-O-[6-O-(E)-feruloyl-2-O-{6-O-(E)-caffeoyl-β-D-glucopyranosyl}-β-D-glucopyranosyl]-5-O-(6-O-malonyl-β-D-glucopyranosyl)pelargonidin
C52H54O25    相似度:50%
Chemical & Pharmaceutical Bulletin       2010       58       1259-1262
Six New Acylated Anthocyanins from Red Radish (Raphanus sativus)
Satoru Tamura, Kouji Tsuji, Piao Yongzhen, Mayumi Ohnishi-Kameyama and Nobutoshi Murakami
Structure    13C NMR 碳谱模拟图
16 .    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
17 .    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

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