MassBank:KOX00580p

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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Tyr

IDs and Links
MassBank	Tyr
CAS	60-18-4
Keio ID	T002+

Top 10 Similar Molecules of Tyr

Ranking	About scoring
KOX00880p Score:33.48 KOX00236p Score:30.24 KOX00859p Score:25.56 KOX00870p Score:24.51 KOX00398p Score:23.28 KOX00674p Score:20.94 KOX00359p Score:20.94 KOX00189p Score:20.85 KOX00514p Score:19.89 KOX00808p Score:19.67	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
C9H12NO3 (182)	C9H9O3 (165)	b
C9H12NO3 (182)	C8H10NO (136)	a
C9H12NO3 (182)	C7H7O2 (123)	x
C9H12NO3 (182)	C7H7O (107)	c
C9H12NO3 (182)	C6H7O (95)	d

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。

KOX00580p	182 C9H12NO3	165 C9H9O3	147 C9H7O2	136 C8H10NO	123 C7H7O2	119 C8H7O	118 C8H8N	107 C7H7O	95 C6H7O	91 C7H7	77 C6H5	65 C5H5	51 C4H3
182 C9H12NO3
165 C9H9O3	H3N
147 C9H7O2	H5NO	H2O
136 C8H10NO	CH2O2
123 C7H7O2	C2H5NO	C2H2O	C2
119 C8H7O	CH5NO2	CH2O2	CO	H3N
118 C8H8N	CH4O3			H2O
107 C7H7O	C2H5NO2	C2H2O2	C2O	CH3N	O	C
95 C6H7O	C3H5NO2	C3H2O2	C3O	C2H3N	CO	C2		C
91 C7H7	C2H5NO3	C2H2O3	C2O2	CH3NO	O2	CO	CHN	O
77 C6H5	C3H7NO3	C3H4O3	C3H2O2	C2H5NO	CH2O2	C2H2O	C2H3N	CH2O	H2O	CH2
65 C5H5	C4H7NO3	C4H4O3	C4H2O2	C3H5NO	C2H2O2	C3H2O	C3H3N	C2H2O	CH2O	C2H2	C
51 C4H3	C5H9NO3	C5H6O3	C5H4O2	C4H7NO	C3H4O2	C4H4O	C4H5N	C3H4O	C2H4O	C3H4	C2H2	CH2

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