Ojima:KOX00127n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-a-t-Boc-asparagine

IDs and Links
MassBank	N-a-t-Boc-asparagine
CAS	7536-55-2
Keio ID	B023-

Top 10 Similar Molecules of N-a-t-Boc-asparagine

Ranking	About scoring
U006+ Score:10.92 G071+ Score:6.23 A155+ Score:4.69 P060+ Score:4.69 E008+ Score:4.69 D037+ Score:4.69 A064+ Score:4.69 S002+ Score:4.69 P032+ Score:4.69 F025+ Score:4.69	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 C4H5N2O2:   G071+  U006+   Pages Related to Peak C3H4NO:   A016+  A017+  A039+  C015+  F025+  P032+  S002+  A064+  D037+  E008+  P060+  U006+  A155+

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。

KOX00127n	231 C9H15N2O5	157 C5H5N2O4	114 C4H4NO3	113 C4H5N2O2	70 C3H4NO
231 C9H15N2O5
157 C5H5N2O4	C4H10O
114 C4H4NO3	C5H11NO2	CHNO
113 C4H5N2O2	C5H10O3	CO2
70 C3H4NO	C6H11NO4	C2HNO3	CO2	CHNO

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