MassBank:KOX00689p

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All Molecules KOX PR PBX COX

Ion Frequency

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Neutral Loss

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Cystathionine

IDs and Links
MassBank	Cystathionine
CAS	56-88-2
Keio ID	C047+

Top 10 Similar Molecules of Cystathionine

Ranking	About scoring
KOX00866p Score:8.02 KOX00840p Score:8.02 KOX00656p Score:8.02 KOX00803p Score:6.63 KOX00048p Score:6.63 KOX00815p Score:5.13 KOX00767p Score:5.13 KOX00582p Score:5.13 KOX00325p Score:5.13 KOX00213p 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。

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Annotations

Precursor	Product	Comments
C7H15N2O4S (223)	C6H13N2O2S (177)	a[d]
C7H15N2O4S (223)	C4H8NO2S (134)	b[c]

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。

KOX00689p	223 C7H15N2O4S	207 C6H11N2O4S	191 C5H7N2O4S	177 C6H13N2O2S	165 C5H13N2O2S	134 C4H8NO2S	93 C6H5O	88 C3H6NS	65 C5H5
223 C7H15N2O4S
207 C6H11N2O4S	CH4
191 C5H7N2O4S	C2H8	CH4
177 C6H13N2O2S	CH2O2
165 C5H13N2O2S	C2H2O2			C
134 C4H8NO2S	C3H7NO2	C2H3NO2		C2H5N	CH5N
93 C6H5O	CH10N2O3S	H6N2O3S		H8N2OS
88 C3H6NS	C4H9NO4	C3H5NO4	C2HNO4	C3H7NO2	C2H7NO2	CH2O2
65 C5H5	C2H10N2O4S	CH6N2O4S	H2N2O4S	CH8N2O2S	H8N2O2S		CO

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