MassBank:KOX00879p

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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
KOX00797p Score:63.95 KOX00604p Score:50.22 KOX00866p Score:45.99 KOX00377p Score:43.8 KOX00811p Score:40.41 KOX00424p Score:39.89 KOX00325p Score:37.79 KOX00912p Score:36.42 KOX00809p Score:35.59 KOX00582p Score:35.33	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
C10H13N2 (161)	C10H10N (144)	a
C10H13N2 (161)	C9H8N (130)	f
C10H13N2 (161)	C8H8N (118)	d
C10H13N2 (161)	C8H7N (117)	d,rad.
C10H13N2 (161)	C6H5 (77)	b
C10H13N2 (161)	C5H5 (65)	c
C10H13N2 (161)	C4H3 (51)	g

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	143 C10H9N	130 C9H8N	127 C10H7	118 C8H8N	117 C8H7N	115 C9H7	106 C7H8N	104 C7H6N	103 C8H7	93 C6H7N	91 C7H7	89 C7H5	77 C6H5	65 C5H5	51 C4H3
161 C10H13N2
144 C10H10N	H3N
143 C10H9N	H4N	H
130 C9H8N	CH5N	CH2	CH
127 C10H7	H6N2	H3N	H2N
118 C8H8N	C2H5N	C2H2	C2H	C
117 C8H7N	C2H6N	C2H3	C2H2	CH		H
115 C9H7	CH6N2	CH3N	CH2N	HN	C
106 C7H8N	C3H5N	C3H2	C3H	C2		C
104 C7H6N	C3H7N	C3H4	C3H3	C2H2		CH2	CH		H2
103 C8H7	C2H6N2	C2H3N	C2H2N	CHN	C2	HN	N	C
93 C6H7N	C4H6N	C4H3	C4H2	C3H		C2H	C2		CH
91 C7H7	C3H6N2	C3H3N	C3H2N	C2HN	C3	CHN	CN	C2	HN		C
89 C7H5	C3H8N2	C3H5N	C3H4N	C2H3N	C3H2	CH3N	CH2N	C2H2	H3N	HN	CH2		H2
77 C6H5	C4H8N2	C4H5N	C4H4N	C3H3N	C4H2	C2H3N	C2H2N	C3H2	CH3N	CHN	C2H2	H2N	CH2	C
65 C5H5	C5H8N2	C5H5N	C5H4N	C4H3N	C5H2	C3H3N	C3H2N	C4H2	C2H3N	C2HN	C3H2	CH2N	C2H2	C2	C
51 C4H3	C6H10N2	C6H7N	C6H6N	C5H5N	C6H4	C4H5N	C4H4N	C5H4	C3H5N	C3H3N	C4H4	C2H4N	C3H4	C3H2	C2H2	CH2

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