Ojima:KNA00188p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
A020+ Score:30.87 D067+ Score:11.36 A007+ Score:11.36 D082+ Score:5.13 D069+ Score:5.13 Z002+ Score:5.13 F014+ Score:5.13 A037+ Score:5.13	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 C15H23N6O5S:   A020+   Pages Related to Peak C11H16N5O3S:   A020+  D067+   Pages Related to Peak C10H18NO5S:   A020+   Pages Related to Peak C10H12N5O3:   A007+  A020+   Pages Related to Peak C5H6N5:   A007+  A037+  F014+  Z002+  A020+  D067+  D069+  D082+

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。

KNA00188p	399 C15H23N6O5S	298 C11H16N5O3S	264 C10H18NO5S	250 C10H12N5O3	136 C5H6N5
399 C15H23N6O5S
298 C11H16N5O3S	C4H7NO2
264 C10H18NO5S	C5H5N5
250 C10H12N5O3	C5H11NO2S	CH4S
136 C5H6N5	C10H17NO5S	C6H10O3S		C5H6O3

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