MassBank:KOX00857p

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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Phenoxybenzamine

IDs and Links
MassBank	Phenoxybenzamine
CAS
Keio ID	P206+

Top 10 Similar Molecules of Phenoxybenzamine

Ranking	About scoring
KOX00800p Score:15.77 KOX00647p Score:12.42 KOX00645p Score:10.72 KOX00558p Score:10.72 KOX00811p Score:9.13 KOX00713p Score:8.31 KOX00635p Score:8.31 KOX00485p Score:8.31 KOX00236p Score:8.31 KOX00122p Score:8.31	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
C18H23NOCl (269)	C7H7 (91)	d
C8H10N (120)	C7H7 (91)	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。

KOX00857p	269 C18H23NOCl	198 C12H19Cl	197 C12H18Cl	183 C11H16Cl	156 C9H13Cl	155 C9H12Cl	121 C8H11N	120 C8H10N	111 C8H15	106 C7H8N	91 C7H7	69 C5H9	55 C4H7
269 C18H23NOCl
198 C12H19Cl
197 C12H18Cl		H
183 C11H16Cl		CH3	CH2
156 C9H13Cl		C3H6	C3H5	C2H3
155 C9H12Cl		C3H7	C3H6	C2H4	H
121 C8H11N	C10H12O
120 C8H10N	C10H13O						H
111 C8H15	C10H8NO	C4H4Cl	C4H3Cl	C3HCl
106 C7H8N	C11H15O						CH3	CH2
91 C7H7	C11H16NO	C5H12Cl	C5H11Cl	C4H9Cl	C2H6Cl	C2H5Cl	CH4N	CH3N	CH8	HN
69 C5H9	C13H14NO	C7H10Cl	C7H9Cl	C6H7Cl	C4H4Cl	C4H3Cl	C3H2N	C3HN	C3H6
55 C4H7	C14H16NO	C8H12Cl	C8H11Cl	C7H9Cl	C5H6Cl	C5H5Cl	C4H4N	C4H3N	C4H8	C3HN	C3	CH2

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