Ojima:KOX00048p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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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
A059+ Score:64.22 D083+ Score:32.53 G019+ Score:15.92 A204+ Score:14.7 C041+ Score:9.57 A007+ Score:9.57 M011+ Score:9.16 S049+ Score:9.16 P067+ Score:9.16 M080+ Score:9.16	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 C5H10NO4S:   A059+   Pages Related to Peak C5H7O4S:   A059+   Pages Related to Peak C5H7O4:   A059+  G019+  D083+   Pages Related to Peak C4H5O2S:   A059+   Pages Related to Peak C5H5O3:   A059+  G019+  D083+   Pages Related to Peak C4H7O3:   A007+  A059+  C041+  D083+  A204+   Pages Related to Peak C3H5OS:   A059+   Pages Related to Peak C4H5O2:   A007+  A031+  A059+  E005+  G003+  G005+  G019+  G020+  G043+  G061+  G065+  M067+  M080+  P067+  S049+  A143+  C041+  D038+  D083+  E056+  G046+  G051+  M011+  M081+  M082+  A204+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+   Pages Related to Peak C2H5O2:   A021+  A059+  M080+  P067+  S049+  D083+  M011+  A204+   Pages Related to Peak C2H5S:   A059+  A065+  C208+  F034+  M003+  A170+  D067+  T058+

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。

KOX00048p	180 C5H10NO4S	163 C5H7O4S	131 C5H7O4	117 C4H5O2S	113 C5H5O3	103 C4H7O3	89 C3H5OS	85 C4H5O2	71 C3H3O2	61 C2H5O2	61 C2H5S
180 C5H10NO4S
163 C5H7O4S	H3N
131 C5H7O4	H3NS	S
117 C4H5O2S	CH5NO2	CH2O2
113 C5H5O3	H5NOS	H2OS	H2O
103 C4H7O3	CH3NOS	COS	CO
89 C3H5OS	C2H5NO3	C2H2O3		CO
85 C4H5O2	CH5NO2S	CH2O2S	CH2O2	S	CO	H2O
71 C3H3O2	C2H7NO2S	C2H4O2S	C2H4O2	CH2S	C2H2O	CH4O		CH2
61 C2H5O2	C3H5NO2S	C3H2O2S	C3H2O2	C2S	C3O	C2H2O		C2
61 C2H5S	C3H5NO4	C3H2O4		C2O2			CO

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