Ojima:KO008827p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
A020+ Score:36.59 D067+ Score:16.05 A007+ Score:16.05 D082+ Score:9.82 D069+ Score:9.82 Z002+ Score:9.82 F014+ Score:9.82 A037+ Score:9.82 M003+ Score:5.72 F034+ Score:5.72	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 C5H12NO2S:   A065+  F034+  M003+  A020+   Pages Related to Peak C5H6N5:   A007+  A037+  F014+  Z002+  A020+  D067+  D069+  D082+   Pages Related to Peak C5H3N4:   A007+  A037+  F014+  H014+  M054+  M074+  M104+  Z002+  D067+  D069+  D082+  M051+  M110+

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。

KO008827p	399 C15H23N6O5S	298 C11H16N5O3S	264 C10H18NO5S	250 C10H12N5O3	150 C5H12NO2S	136 C5H6N5	119 C5H3N4
399 C15H23N6O5S
298 C11H16N5O3S	C4H7NO2
264 C10H18NO5S	C5H5N5
250 C10H12N5O3	C5H11NO2S	CH4S
150 C5H12NO2S	C10H11N5O3	C6H4N4O	C5H6O3
136 C5H6N5	C10H17NO5S	C6H10O3S		C5H6O3
119 C5H3N4	C10H20N2O5S	C6H13NO3S		C5H9NO3		H3N

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