Ojima:KOX00354n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Serine O-sulfate

IDs and Links
MassBank	Serine O-sulfate
CAS
Keio ID	H096-

Top 10 Similar Molecules of Serine O-sulfate

Ranking	About scoring
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 M114+ 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 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+

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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。

KOX00354n	180 C3H2NO6S	104 C3H6NO3	97 HO4S	80 O3S	74 C2H4NO2
180 C3H2NO6S
104 C3H6NO3
97 HO4S	C3HNO2
80 O3S	C3H2NO3		HO
74 C2H4NO2		CH2O

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