Ojima:KOX00584p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Taurine

IDs and Links
MassBank	Taurine
CAS	107-35-7
Keio ID	T004+

Top 10 Similar Molecules of Taurine

Ranking	About scoring
T004+ Score:30.07 H017+ Score:6.23 C015+ Score:6.23 T072+ Score:5.94 T043+ Score:5.94 A155+ Score:5.02 T030+ Score:5.02 T021+ Score:5.02 M034+ Score:5.02 E023+ Score:5.02	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 C2H8NO3S:   T004+  T043+  T072+   Pages Related to Peak C2H6NO2S:   C015+  T004+   Pages Related to Peak C2H4NOS:   T004+   Pages Related to Peak HO2S:   H017+  T004+   Pages Related to Peak C2H6N:   A011+  A015+  S014+  T004+  E023+  M034+  T021+  T030+  A155+

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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。

KOX00584p	126 C2H8NO3S	108 C2H6NO2S	90 C2H4NOS	65 HO2S	44 C2H6N
126 C2H8NO3S
108 C2H6NO2S	H2O
90 C2H4NOS	H4O2	H2O
65 HO2S	C2H7NO	C2H5N
44 C2H6N	H2O3S	O2S

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