Ojima:PBX00029p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Cystine

IDs and Links
MassBank	Cystine
CAS
Keio ID

Top 10 Similar Molecules of Cystine

Ranking	About scoring
C127+ Score:6.63 K004+ Score:3.93 H050+ Score:3.93 E056+ Score:3.93 D038+ Score:3.93 B026+ Score:3.93 A064+ Score:3.93 T020+ Score:3.93 T003+ Score:3.93 P032+ Score:3.93	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 C3H6NO2S:   C127+   Pages Related to Peak C2H4NO2:   A016+  A017+  A032+  A039+  A065+  A127+  A140+  B018+  C015+  C094+  F025+  F034+  G018+  G061+  H002+  H048+  H064+  L004+  M003+  M114+  P032+  T003+  T020+  A064+  B026+  D038+  E056+  H050+  K004+

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。

PBX00029p	241 C6H13N2O4S2	195 C5H11N2O2S2	152 C3H6NO2S2	122 C3H8NO2S	120 C3H6NO2S	74 C2H4NO2
241 C6H13N2O4S2
195 C5H11N2O2S2	CH2O2
152 C3H6NO2S2	C3H7NO2	C2H5N
122 C3H8NO2S	C3H5NO2S	C2H3NS
120 C3H6NO2S	C3H7NO2S	C2H5NS	S	H2
74 C2H4NO2	C4H9NO2S2	C3H7NS2	CH2S2	CH4S	CH2S

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