Ojima:PR100670n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Myricitrin

IDs and Links
MassBank	Myricitrin
CAS	17912-87-7
Keio ID

Top 10 Similar Molecules of Myricitrin

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。

PR100670n	463 C21H19O12	317 C15H9O8	316 C15H8O8	287 C14H7O7	271 C14H7O6	259 C13H7O6	179 C8H3O5	151 C7H3O4	137 C7H5O3	124 C6H4O3
463 C21H19O12
317 C15H9O8	C6H10O4
316 C15H8O8	C6H11O4	H
287 C14H7O7	C7H12O5	CH2O	CHO
271 C14H7O6	C7H12O6	CH2O2	CHO2	O
259 C13H7O6	C8H12O6	C2H2O2	C2HO2	CO	C
179 C8H3O5	C13H16O7	C7H6O3	C7H5O3	C6H4O2	C6H4O	C5H4O
151 C7H3O4	C14H16O8	C8H6O4	C8H5O4	C7H4O3	C7H4O2	C6H4O2	CO
137 C7H5O3	C14H14O9	C8H4O5	C8H3O5	C7H2O4	C7H2O3	C6H2O3
124 C6H4O3	C15H15O9	C9H5O5	C9H4O5	C8H3O4	C8H3O3	C7H3O3			CH

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