MassBank:KOX00828p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Phenylethylamine

IDs and Links
MassBank	Phenylethylamine
CAS	64-04-0
Keio ID	P047+

Top 10 Similar Molecules of Phenylethylamine

Ranking	About scoring
KOX00720p Score:26.76 KOX00719p Score:26.76 KOX00697p Score:21.75 KOX00807p Score:21.38 KOX00703p Score:20.82 KOX00795p Score:16.82 KOX00485p Score:16.53 KOX00886p Score:16.37 KOX00231p Score:16.37 KOX00866p Score:13.45	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
C8H12N (122)	C8H9 (105)	a
C8H12N (122)	C6H7 (79)	b
C8H12N (122)	C6H5 (77)	b
C8H12N (122)	C5H5 (65)	c
C8H12N (122)	C4H3 (51)	d

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。

KOX00828p	122 C8H12N	105 C8H9	103 C8H7	92 C6H6N	79 C6H7	77 C6H5	65 C5H5	51 C4H3
122 C8H12N
105 C8H9	H3N
103 C8H7	H5N	H2
92 C6H6N	C2H6
79 C6H7	C2H5N	C2H2	C2
77 C6H5	C2H7N	C2H4	C2H2	HN	H2
65 C5H5	C3H7N	C3H4	C3H2	CHN	CH2	C
51 C4H3	C4H9N	C4H6	C4H4	C2H3N	C2H4	C2H2	CH2

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