Ojima:PR101004n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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1-O-b-D-glucopyranosyl sinapate

IDs and Links
MassBank	1-O-b-D-glucopyranosyl sinapate
CAS	14364-09-1
Keio ID

Top 10 Similar Molecules of 1-O-b-D-glucopyranosyl sinapate

Ranking	About scoring
L016+ Score:6.64 I050+ Score:6.64 T032+ Score:6.23 T002+ Score:6.23 D083+ Score:5.94 E015+ Score:5.94 A059+ Score:5.94	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

Links

Page list for each fragment
Pages Related to Peak C9H8O3:   I050+   Pages Related to Peak C8H5O3:   L016+   Pages Related to Peak C9H7O2:   T002+  T032+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

Annotations

Precursor-Product Relationship

About the PP Table (行列表示について)
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).	行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。

PR101004n	385 C17H21O10	247 C13H11O5	223 C11H11O5	205 C11H9O4	190 C10H6O4	175 C9H3O4	164 C9H8O3	149 C8H5O3	147 C9H7O2	119 C7H3O2	91 C6H3O	71 C3H3O2
385 C17H21O10
247 C13H11O5	C4H10O5
223 C11H11O5	C6H10O5	C2
205 C11H9O4	C6H12O6	C2H2O	H2O
190 C10H6O4	C7H15O6	C3H5O	CH5O	CH3
175 C9H3O4	C8H18O6	C4H8O	C2H8O	C2H6	CH3
164 C9H8O3	C8H13O7	C4H3O2	C2H3O2	C2HO
149 C8H5O3	C9H16O7	C5H6O2	C3H6O2	C3H4O	C2HO		CH3
147 C9H7O2	C8H14O8	C4H4O3	C2H4O3	C2H2O2			HO
119 C7H3O2	C10H18O8	C6H8O3	C4H8O3	C4H6O2	C3H3O2	C2O2	C2H5O	CH2O	C2H4
91 C6H3O	C11H18O9	C7H8O4	C5H8O4	C5H6O3	C4H3O3	C3O3	C3H5O2	C2H2O2	C3H4O	CO
71 C3H3O2	C14H18O8	C10H8O3	C8H8O3	C8H6O2	C7H3O2	C6O2	C6H5O	C5H2O	C6H4	C4

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