Ojima:KOX00028n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Argininosuccinate

IDs and Links
MassBank	Argininosuccinate
CAS
Keio ID	A039-

Top 10 Similar Molecules of Argininosuccinate

Ranking	About scoring
E015+ Score:12.58 D083+ Score:5.94 A059+ Score:5.94 P060+ Score:4.84 D037+ Score:4.84 C044+ Score:4.84 A064+ Score:4.84 X004+ Score:4.84 S002+ Score:4.84 F025+ Score:4.84	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 C4H6NO4:   E015+   Pages Related to Peak C3H6NO2:   A016+  A017+  A039+  C015+  F025+  S002+  X004+  A064+  C044+  D037+  P060+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

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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。

KOX00028n	289 C10H17N4O6	271 C10H15N4O5	173 C6H13N4O2	132 C4H6NO4	131 C5H11N2O2	115 C4H3O4	88 C3H6NO2	71 C3H3O2	59 C2H3O2
289 C10H17N4O6
271 C10H15N4O5	H2O
173 C6H13N4O2	C4H4O4	C4H2O3
132 C4H6NO4	C6H11N3O2	C6H9N3O
131 C5H11N2O2	C5H6N2O4	C5H4N2O3	CH2N2
115 C4H3O4	C6H14N4O2	C6H12N4O		H3N
88 C3H6NO2	C7H11N3O4	C7H9N3O3	C3H7N3	CO2	C2H5N
71 C3H3O2	C7H14N4O4	C7H12N4O3	C3H10N4	CH3NO2	C2H8N2	CO2	H3N
59 C2H3O2	C8H14N4O4	C8H12N4O3	C4H10N4	C2H3NO2	C3H8N2	C2O2	CH3N	C

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