MassBank:KOX00215p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Na,Na-Dimethylhistidine

IDs and Links
MassBank	Na,Na-Dimethylhistidine
CAS
Keio ID	D131+

Top 10 Similar Molecules of Na,Na-Dimethylhistidine

Ranking	About scoring
KOX00793p Score:20.02 KOX00791p Score:20.02 KOX00750p Score:20.02 KOX00749p Score:20.02 KOX00313p Score:20.02 KOX00308p Score:20.02 KOX00136p Score:20.02 KOX00086p Score:20.02 KOX00062p Score:20.02 KOX00056p 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
C8H14N3O2 (184)	C7H12N3 (138)	a
C8H14N3O2 (184)	C4H7N2 (83)	c
C8H14N3O2 (184)	C4H5N2 (81)	c

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。

KOX00215p	184 C8H14N3O2	138 C7H12N3	95 C5H7N2	83 C4H7N2	81 C4H5N2	68 C4H6N	58 C3H8N	54 C3H4N
184 C8H14N3O2
138 C7H12N3	CH2O2
95 C5H7N2	C3H7NO2	C2H5N
83 C4H7N2	C4H7NO2	C3H5N	C
81 C4H5N2	C4H9NO2	C3H7N	CH2	H2
68 C4H6N	C4H8N2O2	C3H6N2	CHN	HN
58 C3H8N	C5H6N2O2	C4H4N2
54 C3H4N	C5H10N2O2	C4H8N2	C2H3N	CH3N	CHN	CH2	H4

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