MassBank:KOX00911p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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1-Methylhistamine

IDs and Links
MassBank	1-Methylhistamine
CAS	501-75-7
Keio ID	M022+

Top 10 Similar Molecules of 1-Methylhistamine

Ranking	About scoring
KOX00086p Score:37.85 KOX00791p Score:33.35 KOX00793p Score:30.39 KOX00749p Score:19.62 KOX00062p Score:19.62 KOX00308p Score:18.73 KOX00750p Score:15.74 KOX00313p Score:14.23 KOX00136p Score:14.23 KOX00056p Score:14.23	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
C6H12N3 (126)	C6H9N2 (109)	b
C6H12N3 (126)	C5H9N2 (97)	c[d]
C6H12N3 (126)	C5H8N2 (96)	c,rad.[d,rad.]

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。

KOX00911p	126 C6H12N3	109 C6H9N2	97 C5H9N2	96 C5H8N2	82 C5H8N	81 C4H5N2	80 C5H6N	68 C4H6N	67 C4H5N	56 C3H6N	54 C3H4N
126 C6H12N3
109 C6H9N2	H3N
97 C5H9N2	CH3N	C
96 C5H8N2	CH4N	CH	H
82 C5H8N	CH4N2	CHN	HN	N
81 C4H5N2	C2H7N	C2H4	CH4	CH3
80 C5H6N	CH6N2	CH3N	H3N	H2N	H2
68 C4H6N	C2H6N2	C2H3N	CH3N	CH2N	CH2		C
67 C4H5N	C2H7N2	C2H4N	CH4N	CH3N	CH3	N	CH	H
56 C3H6N	C3H6N2	C3H3N	C2H3N	C2H2N	C2H2		C2	C
54 C3H4N	C3H8N2	C3H5N	C2H5N	C2H4N	C2H4	CHN	C2H2	CH2	CH	H2

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