MassBank:KOX00508p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Pipecolate

IDs and Links
MassBank	Pipecolate
CAS	3105-95-1
Keio ID	P048+

Top 10 Similar Molecules of Pipecolate

Ranking	About scoring
KOX00041p Score:19.9 KOX00393p Score:19.15 KOX00347p Score:19.15 KOX00095p Score:15.87 KOX00069p Score:15.87 KOX00769p Score:13.9 KOX00420p Score:13.9 KOX00343p Score:13.9 KOX00687p Score:10.61 KOX00887p Score:10.5	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
C6H12NO2 (130)	C5H10N (84)	a
C6H12NO2 (130)	C4H7N (69)	c,rad.
C6H12NO2 (130)	C4H6N (68)	c
C6H12NO2 (130)	C3H6N (56)	d
C6H12NO2 (130)	C4H7 (55)	b+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。

KOX00508p	130 C6H12NO2	84 C5H10N	69 C4H7N	68 C4H6N	67 C5H7	56 C3H6N	55 C4H7
130 C6H12NO2
84 C5H10N	CH2O2
69 C4H7N	C2H5O2	CH3
68 C4H6N	C2H6O2	CH4	H
67 C5H7	CH5NO2	H3N
56 C3H6N	C3H6O2	C2H4	CH	C
55 C4H7	C2H5NO2	CH3N	N		C

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