MassBank:KOX00584p

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Ion Frequency

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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
KOX00319p Score:6.63 KOX00140p Score:6.63 KOX00613p Score:6.23 KOX00601p Score:6.23 KOX00903p Score:5.13 KOX00878p Score:5.13 KOX00873p Score:5.13 KOX00783p Score:5.13 KOX00726p Score:5.13 KOX00560p 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 C2H8NO3S:   KOX00601p  KOX00613p   Pages Related to Peak C2H6NO2S:   KOX00140p   Pages Related to Peak HO2S:   KOX00319p   Pages Related to Peak C2H6N:   KOX00008p  KOX00010p  KOX00560p  KOX00726p  KOX00783p  KOX00873p  KOX00878p  KOX00903p

Annotations

Precursor	Product	Comments
C2H8NO3S (126)	C2H5O3S (109)	d
C2H8NO3S (126)	C2H6NO2S (108)	e
C2H8NO3S (126)	C2H6N (44)	a

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	109 C2H5O3S	108 C2H6NO2S	90 C2H4NOS	79 CH3O2S	65 HO2S	44 C2H6N
126 C2H8NO3S
109 C2H5O3S	H3N
108 C2H6NO2S	H2O
90 C2H4NOS	H4O2		H2O
79 CH3O2S	CH5NO	CH2O	CH3N
65 HO2S	C2H7NO	C2H4O	C2H5N		CH2
44 C2H6N	H2O3S		O2S

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