MassBank:KOX00874p

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Ion Frequency

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Triethanolamine

IDs and Links
MassBank	Triethanolamine
CAS	102-71-6
Keio ID	T022+

Top 10 Similar Molecules of Triethanolamine

Ranking	About scoring
KOX00698p Score:18.77 KOX00364p Score:12.07 KOX00665p Score:11.95 KOX00043p Score:10.97 KOX00655p Score:9.55 KOX00478p Score:9.55 KOX00024p Score:9.55 KOX00890p Score:6.82 KOX00838p Score:6.82 KOX00827p Score:6.82	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
C6H16NO3 (150)	C6H14NO2 (132)	b
C6H16NO3 (150)	C4H12NO2 (106)	a

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。

KOX00874p	150 C6H16NO3	132 C6H14NO2	114 C6H12NO	106 C4H12NO2	88 C4H10NO	70 C4H8N	56 C3H6N
150 C6H16NO3
132 C6H14NO2	H2O
114 C6H12NO	H4O2	H2O
106 C4H12NO2	C2H4O	C2H2
88 C4H10NO	C2H6O2	C2H4O	C2H2	H2O
70 C4H8N	C2H8O3	C2H6O2	C2H4O	H4O2	H2O
56 C3H6N	C3H10O3	C3H8O2	C3H6O	CH6O2	CH4O	CH2

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