Ojima:KOX00553n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Ser

IDs and Links
MassBank	Ser
CAS	56-45-1
Keio ID	S002-

Top 10 Similar Molecules of Ser

Ranking	About scoring
D083+ Score:5.94 E015+ Score:5.94 A059+ Score:5.94 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	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+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

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。

KOX00553n	104 C3H6NO3	74 C2H4NO2	71 C3H3O2	59 C2H3O2	45 CHO2
104 C3H6NO3
74 C2H4NO2	CH2O
71 C3H3O2	H3NO
59 C2H3O2	CH3NO	HN	C
45 CHO2	C2H5NO	CH3N	C2H2	CH2

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