MassBank:KOX00854p

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Ion Frequency

Prec.-Product

Neutral Loss

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Procaine

IDs and Links
MassBank	Procaine
CAS	59-46-1
Keio ID	P190+

Top 10 Similar Molecules of Procaine

Ranking	About scoring
KOX00886p Score:14.95 KOX00840p Score:14.95 KOX00673p Score:14.95 KOX00034p Score:14.95 KOX00006p Score:14.95 KOX00766p Score:11.41 KOX00371p Score:11.41 KOX00131p Score:11.41 KOX00855p Score:11.32 KOX00877p Score:10.26	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
C13H21N2O2 (237)	C9H10NO2 (164)	d
C13H21N2O2 (237)	C7H6NO (120)	b
C13H21N2O2 (237)	C6H14N (100)	c
C13H21N2O2 (237)	C6H7N (93)	a,rad.
C13H21N2O2 (237)	C6H6N (92)	a
C13H21N2O2 (237)	C4H10N (72)	e
C9H10NO2 (164)	C7H6NO (120)	IT
C7H6NO (120)	C6H6N (92)	IT
C6H14N (100)	C4H10N (72)	IT

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。

KOX00854p	237 C13H21N2O2	164 C9H10NO2	120 C7H6NO	100 C6H14N	93 C6H7N	92 C6H6N	72 C4H10N	65 C5H5
237 C13H21N2O2
164 C9H10NO2	C4H11N
120 C7H6NO	C6H15NO	C2H4O
100 C6H14N	C7H7NO2
93 C6H7N	C7H14NO2	C3H3O2		H7
92 C6H6N	C7H15NO2	C3H4O2	CO	H8	H
72 C4H10N	C9H11NO2	C5O2		C2H4
65 C5H5	C8H16N2O2	C4H5NO2	C2HNO	CH9N	CH2N	CHN

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