Ojima:PR100674n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Peltatoside

IDs and Links
MassBank	Peltatoside
CAS	23284-18-6
Keio ID

Top 10 Similar Molecules of Peltatoside

Ranking	About scoring
	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。

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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。

PR100674n	595 C26H27O16	301 C15H9O7	300 C15H8O7	272 C14H8O6	271 C14H7O6	255 C14H7O5	243 C13H7O5	179 C8H3O5	151 C7H3O4
595 C26H27O16
301 C15H9O7	C11H18O9
300 C15H8O7	C11H19O9	H
272 C14H8O6	C12H19O10	CHO	CO
271 C14H7O6	C12H20O10	CH2O	CHO	H
255 C14H7O5	C12H20O11	CH2O2	CHO2	HO	O
243 C13H7O5	C13H20O11	C2H2O2	C2HO2	CHO	CO	C
179 C8H3O5	C18H24O11	C7H6O2	C7H5O2	C6H5O	C6H4O	C6H4	C5H4
151 C7H3O4	C19H24O12	C8H6O3	C8H5O3	C7H5O2	C7H4O2	C7H4O	C6H4O	CO

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