Ojima:KOX00879p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Tryptamine

IDs and Links
MassBank	Tryptamine
CAS	61-54-1
Keio ID	T031+

Top 10 Similar Molecules of Tryptamine

Ranking	About scoring
T031+ Score:41.07 M101+ Score:34.84 T054+ Score:26.41 I025+ Score:26.41 I030+ Score:23.82 H139+ Score:21.62 M167+ Score:20.19 T003+ Score:19.58 I038+ Score:19.43 T030+ Score:18.99	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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Precursor	Product	Comments
C10H10N (144)	C9H6N*** (128)	CH7N=H3N+CH4

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。

KOX00879p	161 C10H13N2	144 C10H10N	128 C9H6N	127 C10H7	117 C8H7N	115 C9H7	103 C8H7	91 C7H7	77 C6H5	65 C5H5	51 C4H3
161 C10H13N2
144 C10H10N	H3N
128 C9H6N	CH7N	CH4
127 C10H7	H6N2	H3N
117 C8H7N	C2H6N	C2H3
115 C9H7	CH6N2	CH3N		C
103 C8H7	C2H6N2	C2H3N		C2	N	C
91 C7H7	C3H6N2	C3H3N		C3	CN	C2	C
77 C6H5	C4H8N2	C4H5N	C3HN	C4H2	C2H2N	C3H2	C2H2	CH2
65 C5H5	C5H8N2	C5H5N	C4HN	C5H2	C3H2N	C4H2	C3H2	C2H2	C
51 C4H3	C6H10N2	C6H7N	C5H3N	C6H4	C4H4N	C5H4	C4H4	C3H4	C2H2	CH2

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