MassBank:KOX00688p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Carbachol

IDs and Links
MassBank	Carbachol
CAS
Keio ID	C044+

Top 10 Similar Molecules of Carbachol

Ranking	About scoring
KOX00838p Score:28.37 KOX00741p Score:21.79 KOX00644p Score:12.92 KOX00856p Score:10.77 KOX00364p Score:10.77 KOX00393p Score:9.21 KOX00069p Score:9.21 KOX00696p Score:8.72 KOX00686p Score:8.72 KOX00039p Score:8.72	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
C6H15N2O2 (147)	C5H14NO (104)	b
C6H15N2O2 (147)	C3H6NO2 (88)	a
C6H15N2O2 (147)	C5H12N (86)	d
C6H15N2O2 (147)	C4H9N (71)	e,rad.
C6H15N2O2 (147)	C3H10N (60)	c
C6H15N2O2 (147)	C3H8N (58)	c
C6H15N2O2 (147)	C3H6N (56)	c

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。

KOX00688p	147 C6H15N2O2	104 C5H14NO	88 C3H6NO2	86 C5H12N	71 C4H9N	60 C3H10N	58 C3H8N	56 C3H6N	45 C2H5O
147 C6H15N2O2
104 C5H14NO	CHNO
88 C3H6NO2	C3H9N
86 C5H12N	CH3NO2	H2O
71 C4H9N	C2H6NO2	CH5O		CH3
60 C3H10N	C3H5NO2	C2H4O		C2H2
58 C3H8N	C3H7NO2	C2H6O		C2H4	CH	H2
56 C3H6N	C3H9NO2	C2H8O	O2	C2H6	CH3	H4	H2
45 C2H5O	C4H10N2O	C3H9N	CHNO

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