MassBank:KOX00062p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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Nw-Acetylhistamine

IDs and Links
MassBank	Nw-Acetylhistamine
CAS
Keio ID	A093+

Top 10 Similar Molecules of Nw-Acetylhistamine

Ranking	About scoring
KOX00749p Score:34.34 KOX00793p Score:23.01 KOX00313p Score:23.01 KOX00308p Score:23.01 KOX00136p Score:23.01 KOX00056p Score:23.01 KOX00791p Score:20.02 KOX00750p Score:20.02 KOX00215p Score:20.02 KOX00086p Score:20.02	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
C7H12N3O (154)	C7H10N3 (136)	d
C7H12N3O (154)	C5H10N3 (112)	c
C7H12N3O (154)	C5H7N2 (95)	b
C7H12N3O (154)	C4H7N2 (83)	e[a+c]
C7H12N3O (154)	C4H5N2 (81)	e[a+c]
C5H7N2 (95)	C4H6N (68)	IT

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。

KOX00062p	154 C7H12N3O	136 C7H10N3	112 C5H10N3	95 C5H7N2	83 C4H7N2	81 C4H5N2	68 C4H6N	67 C4H5N	56 C3H6N	54 C3H4N
154 C7H12N3O
136 C7H10N3	H2O
112 C5H10N3	C2H2O	C2
95 C5H7N2	C2H5NO	C2H3N	H3N
83 C4H7N2	C3H5NO	C3H3N	CH3N	C
81 C4H5N2	C3H7NO	C3H5N	CH5N	CH2	H2
68 C4H6N	C3H6N2O	C3H4N2	CH4N2	CHN	HN
67 C4H5N	C3H7N2O	C3H5N2	CH5N2	CH2N	H2N	N	H
56 C3H6N	C4H6N2O	C4H4N2	C2H4N2	C2HN	CHN		C
54 C3H4N	C4H8N2O	C4H6N2	C2H6N2	C2H3N	CH3N	CHN	CH2	CH	H2

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