Ojima:PR100199p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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S-Carboxymethyl-L-cysteine

IDs and Links
MassBank	S-Carboxymethyl-L-cysteine
CAS	638-23-3
Keio ID

Top 10 Similar Molecules of S-Carboxymethyl-L-cysteine

Ranking	About scoring
A059+ Score:37.91 M126+ Score:12.46 C047+ Score:12.46 C127+ Score:6.23 T058+ Score:5.13 D067+ Score:5.13 A170+ Score:5.13 M003+ Score:5.13 F034+ Score:5.13 C208+ 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 C5H10NO4S:   A059+   Pages Related to Peak C5H7O4S:   A059+   Pages Related to Peak C4H8NO2S:   A059+  C047+   Pages Related to Peak C4H5O2S:   A059+   Pages Related to Peak C3H5OS:   A059+   Pages Related to Peak C3H6NS:   C047+  M126+   Pages Related to Peak C2H4NS:   C127+  M126+   Pages Related to Peak C2H5S:   A059+  A065+  C208+  F034+  M003+  A170+  D067+  T058+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00048

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。

PR100199p	180 C5H10NO4S	163 C5H7O4S	134 C4H8NO2S	117 C4H5O2S	89 C3H5OS	88 C3H6NS	74 C2H4NS	61 C2H5S
180 C5H10NO4S
163 C5H7O4S	H3N
134 C4H8NO2S	CH2O2
117 C4H5O2S	CH5NO2	CH2O2	H3N
89 C3H5OS	C2H5NO3	C2H2O3	CH3NO	CO
88 C3H6NS	C2H4O4		CH2O2
74 C2H4NS	C3H6O4		C2H4O2			CH2
61 C2H5S	C3H5NO4	C3H2O4	C2H3NO2	C2O2	CO	CHN

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