Ojima:KOX00047n

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S-Carboxymethylcysteine

IDs and Links
MassBank	S-Carboxymethylcysteine
CAS	638-23-3
Keio ID	A059-

Top 10 Similar Molecules of S-Carboxymethylcysteine

Ranking	About scoring
T058+ Score:13.27 M115+ Score:6.63	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 C3H4NO2:   M115+   Pages Related to Peak CH3S:   T058+   Pages Related to Peak CH2S:   T058+

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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。

KOX00047n	178 C5H8NO4S	91 C2H3O2S	86 C3H4NO2	47 CH3S	46 CH2S
178 C5H8NO4S
91 C2H3O2S	C3H5NO2
86 C3H4NO2	C2H4O2S
47 CH3S	C4H5NO4	CO2
46 CH2S	C4H6NO4	CHO2		H

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