MassBank:KOX00766p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Kynurenine

IDs and Links
MassBank	Kynurenine
CAS	343-65-7
Keio ID	K004+

Top 10 Similar Molecules of Kynurenine

Ranking	About scoring
KOX00359p Score:25.81 KOX00647p Score:25.41 KOX00840p Score:21.66 KOX00811p Score:20.96 KOX00628p Score:20.77 KOX00809p Score:20.09 KOX00236p Score:20.09 KOX00491p Score:19.78 KOX00582p Score:19.3 KOX00859p Score:18.22	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
C10H13N2O3 (209)	C10H10NO3 (192)	-NH3
C10H13N2O3 (209)	C8H10NO (136)	d
C10H13N2O3 (209)	C8H6NO (132)	d
C10H13N2O3 (209)	C7H6NO (120)	e
C10H13N2O3 (209)	C6H8N (94)	g
C10H13N2O3 (209)	C6H6N (92)	g
C10H13N2O3 (209)	C2H4NO2 (74)	i
C10H10NO3 (192)	C10H8NO2 (174)	IT
C10H10NO3 (192)	C9H8NO (146)	IT
C10H10NO3 (192)	C8H10NO (136)	IT
C10H10NO3 (192)	C6H8N (94)	IT
C10H8NO2 (174)	C9H8NO (146)	IT
C10H8NO2 (174)	C8H6NO (132)	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。

KOX00766p	209 C10H13N2O3	192 C10H10NO3	174 C10H8NO2	150 C8H8NO2	146 C9H8NO	136 C8H10NO	132 C8H6NO	120 C7H6NO	118 C8H8N	104 C7H6N	94 C6H8N	92 C6H6N	91 C7H7	84 C5H10N	77 C6H5	74 C2H4NO2	65 C5H5
209 C10H13N2O3
192 C10H10NO3	H3N
174 C10H8NO2	H5NO	H2O
150 C8H8NO2	C2H5NO	C2H2O	C2
146 C9H8NO	CH5NO2	CH2O2	CO
136 C8H10NO	C2H3NO2	C2O2
132 C8H6NO	C2H7NO2	C2H4O2	C2H2O	H2O	CH2	H4
120 C7H6NO	C3H7NO2	C3H4O2	C3H2O	CH2O	C2H2	CH4	C
118 C8H8N	C2H5NO3	C2H2O3	C2O2	O2	CO	H2O
104 C7H6N	C3H7NO3	C3H4O3	C3H2O2	CH2O2	C2H2O	CH4O	CO	O	CH2
94 C6H8N	C4H5NO3	C4H2O3	C4O2	C2O2	C3O	C2H2O			C2
92 C6H6N	C4H7NO3	C4H4O3	C4H2O2	C2H2O2	C3H2O	C2H4O	C2O	CO	C2H2	C	H2
91 C7H7	C3H6N2O3	C3H3NO3	C3HNO2	CHNO2	C2HNO	CH3NO			CHN
84 C5H10N	C5H3NO3	C5O3				C3O
77 C6H5	C4H8N2O3	C4H5NO3	C4H3NO2	C2H3NO2	C3H3NO	C2H5NO	C2HNO	CHNO	C2H3N	CHN	H3N	HN	CH2
74 C2H4NO2	C8H9NO	C8H6O	C8H4	C6H4
65 C5H5	C5H8N2O3	C5H5NO3	C5H3NO2	C3H3NO2	C4H3NO	C3H5NO	C3HNO	C2HNO	C3H3N	C2HN	CH3N	CHN	C2H2	H5N	C

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