Ojima:KOX00899n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2,6-Diaminoheptanedioate

IDs and Links
MassBank	2,6-Diaminoheptanedioate
CAS
Keio ID	D030-

Top 10 Similar Molecules of 2,6-Diaminoheptanedioate

Ranking	About scoring
D030+ Score:5.54 D061+ Score:5.54 A197+ Score:5.54 I015+ Score:5.54 H064+ Score:5.54	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 C6H10NO2:   H064+  I015+  A197+  D061+  D030+

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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。

KOX00899n	189 C7H13N2O4	171 C7H11N2O3	129 C6H11NO2	128 C6H10NO2	72 C2H2NO2	59 C2H3O2	45 CHO2
189 C7H13N2O4
171 C7H11N2O3	H2O
129 C6H11NO2	CH2NO2	CNO
128 C6H10NO2	CH3NO2	CHNO	H
72 C2H2NO2	C5H11NO2	C5H9NO	C4H9	C4H8
59 C2H3O2	C5H10N2O2	C5H8N2O	C4H8N	C4H7N
45 CHO2	C6H12N2O2	C6H10N2O	C5H10N	C5H9N	CHN	CH2

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