MassBank:KOX00582p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Trp

IDs and Links
MassBank	Trp
CAS	73-22-3
Keio ID	T003+

Top 10 Similar Molecules of Trp

Ranking	About scoring
KOX00604p Score:52.53 KOX00325p Score:37.79 KOX00866p Score:37.58 KOX00879p Score:35.33 KOX00797p Score:35.33 KOX00377p Score:31.78 KOX00912p Score:28.01 KOX00811p Score:28.01 KOX00424p Score:26.65 KOX00798p Score:23.98	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
C11H13N2O2 (205)	C11H10NO2 (188)	a
C11H13N2O2 (205)	C10H11N2 (159)	e
C11H13N2O2 (205)	C9H10N (132)	f
C11H13N2O2 (205)	C9H8N (130)	f
C11H13N2O2 (205)	C8H8N (118)	b
C11H13N2O2 (205)	C8H7N (117)	b,rad.
C11H13N2O2 (205)	C6H5 (77)	g
C11H13N2O2 (205)	C2H4NO2 (74)	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。

KOX00582p	205 C11H13N2O2	188 C11H10NO2	170 C11H8NO	159 C10H11N2	146 C9H8NO	144 C10H10N	132 C9H10N	130 C9H8N	118 C8H8N	117 C8H7N	115 C9H7	93 C6H7N	93 C6H5O	91 C7H7	89 C7H5	77 C6H5	74 C2H4NO2
205 C11H13N2O2
188 C11H10NO2	H3N
170 C11H8NO	H5NO	H2O
159 C10H11N2	CH2O2
146 C9H8NO	C2H5NO	C2H2O	C2
144 C10H10N	CH3NO2	CO2		HN
132 C9H10N	C2H3NO2	C2O2		CHN		C
130 C9H8N	C2H5NO2	C2H2O2	C2O	CH3N	O	CH2	H2
118 C8H8N	C3H5NO2	C3H2O2	C3O	C2H3N	CO	C2H2	CH2	C
117 C8H7N	C3H6NO2	C3H3O2	C3HO	C2H4N	CHO	C2H3	CH3	CH	H
115 C9H7	C2H6N2O2	C2H3NO2	C2HNO	CH4N2	HNO	CH3N	H3N	HN
93 C6H7N	C5H6NO2	C5H3O2	C5HO	C4H4N	C3HO	C4H3	C3H3	C3H	C2H	C2
93 C6H5O	C5H8N2O	C5H5NO	C5H3N		C3H3N
91 C7H7	C4H6N2O2	C4H3NO2	C4HNO	C3H4N2	C2HNO	C3H3N	C2H3N	C2HN	CHN	CN	C2
89 C7H5	C4H8N2O2	C4H5NO2	C4H3NO	C3H6N2	C2H3NO	C3H5N	C2H5N	C2H3N	CH3N	CH2N	C2H2			H2
77 C6H5	C5H8N2O2	C5H5NO2	C5H3NO	C4H6N2	C3H3NO	C4H5N	C3H5N	C3H3N	C2H3N	C2H2N	C3H2	H2N	O	CH2	C
74 C2H4NO2	C9H9N	C9H6

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