MassBank:KOX00368p

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Ion Frequency

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Neutral Loss

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Isoguvacine

IDs and Links
MassBank	Isoguvacine
CAS	3038-89-9
Keio ID	I015+

Top 10 Similar Molecules of Isoguvacine

Ranking	About scoring
KOX00900p Score:11.67 KOX00774p Score:9.51 KOX00343p Score:9 KOX00705p Score:8.38 KOX00276p Score:7.72 KOX00795p Score:7.1 KOX00573p Score:6.23 KOX00830p Score:5.95 KOX00784p Score:5.95 KOX00770p Score:5.95	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。

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Annotations

Precursor	Product	Comments
C6H10NO2 (128)	C4H7 (55)	a[b]

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。

KOX00368p	128 C6H10NO2	111 C6H7O2	86 C4H8NO	77 C6H5	55 C4H7
128 C6H10NO2
111 C6H7O2	H3N
86 C4H8NO	C2H2O
77 C6H5	H5NO2	H2O2
55 C4H7	C2H3NO2	C2O2	HNO

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