Ojima:KNA00480n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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MassBank	[1]
CAS
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Top 10 Similar Molecules of

Ranking	About scoring
T004+ Score:6.23 H017+ Score:6.23	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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Pages Related to Peak HO2S:   H017+  T004+

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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。

KNA00480n	124 C2H6NO3S	107 C2H3O3S	95 CH3O3S	80 O3S	65 HO2S
124 C2H6NO3S
107 C2H3O3S	H3N
95 CH3O3S	CH3N	C
80 O3S	C2H6N	C2H3	CH3
65 HO2S	C2H5NO	C2H2O	CH2O

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