Ojima:COX00034p

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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Ephedrine

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MassBank	Ephedrine
CAS
Keio ID

Top 10 Similar Molecules of Ephedrine

Ranking	About scoring
T054+ Score:30.34 T031+ Score:24.95 M101+ Score:24.95 I025+ Score:24.95 T003+ Score:23.49 S041+ Score:23.1 N016+ Score:22.68 M040+ Score:22.07 T030+ Score:21.8 N044+ Score:18.71	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 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。

COX00034p	166 C10H16NO	148 C10H14N	133 C9H11N	132 C9H10N	130 C9H8N	118 C8H8N	115 C9H7	103 C8H7	91 C7H7	77 C6H5	65 C5H5
166 C10H16NO
148 C10H14N	H2O
133 C9H11N	CH5O	CH3
132 C9H10N	CH6O	CH4	H
130 C9H8N	CH8O	CH6	H3	H2
118 C8H8N	C2H8O	C2H6	CH3	CH2	C
115 C9H7	CH9NO	CH7N	H4N	H3N	HN
103 C8H7	C2H9NO	C2H7N	CH4N	CH3N	CHN	HN	C
91 C7H7	C3H9NO	C3H7N	C2H4N	C2H3N	C2HN	CHN	C2	C
77 C6H5	C4H11NO	C4H9N	C3H6N	C3H5N	C3H3N	C2H3N	C3H2	C2H2	CH2
65 C5H5	C5H11NO	C5H9N	C4H6N	C4H5N	C4H3N	C3H3N	C4H2	C3H2	C2H2	C

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