Ojima:PR100793n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Datiscin

IDs and Links
MassBank	Datiscin
CAS	16310-92-2
Keio ID

Top 10 Similar Molecules of Datiscin

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。

PR100793n	593 C27H29O15	285 C15H9O6	284 C15H8O6	267 C15H7O5	255 C14H7O5	151 C7H3O4	125 C6H5O3
593 C27H29O15
285 C15H9O6	C12H20O9
284 C15H8O6	C12H21O9	H
267 C15H7O5	C12H22O10	H2O	HO
255 C14H7O5	C13H22O10	CH2O	CHO	C
151 C7H3O4	C20H26O11	C8H6O2	C8H5O2	C8H4O	C7H4O
125 C6H5O3	C21H24O12	C9H4O3	C9H3O3	C9H2O2	C8H2O2

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