Ojima:KOX00176p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Cysteine S-sulfate

IDs and Links
MassBank	Cysteine S-sulfate
CAS	1637-71-4
Keio ID	C127+

Top 10 Similar Molecules of Cysteine S-sulfate

Ranking	About scoring
C127+ Score:36.44 M126+ Score:12.17 H017+ Score:6.23 M013+ Score:5.94 M169+ Score:4.76 A052+ Score:4.76 P092+ Score:4.76 O008+ Score:4.76 I025+ Score:4.76 G062+ Score:4.76	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 C3H8NO5S2:   C127+   Pages Related to Peak C3H6NO2S:   C127+   Pages Related to Peak C2H6NOS:   C127+  H017+   Pages Related to Peak C2H4NS:   C127+  M126+   Pages Related to Peak C2H3S:   C127+  M013+  M126+   Pages Related to Peak C3H3O:   A110+  A138+  C015+  C127+  D173+  G015+  G062+  I025+  O008+  P092+  A052+  M169+

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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。

KOX00176p	202 C3H8NO5S2	120 C3H6NO2S	92 C2H6NOS	74 C2H4NS	59 C2H3S	55 C3H3O
202 C3H8NO5S2
120 C3H6NO2S	H2O3S
92 C2H6NOS	CH2O4S	CO
74 C2H4NS	CH4O5S	CH2O2	H2O
59 C2H3S	CH5NO5S	CH3NO2	H3NO	HN
55 C3H3O	H5NO4S2	H3NOS

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