MassBank:KOX00748p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3-Hydroxykynurenine

IDs and Links
MassBank	3-Hydroxykynurenine
CAS
Keio ID	H050+

Top 10 Similar Molecules of 3-Hydroxykynurenine

Ranking	About scoring
KOX00840p Score:29.18 KOX00886p Score:19.09 KOX00510p Score:14.71 KOX00385p Score:13.68 KOX00673p Score:13.55 KOX00034p Score:13.55 KOX00006p Score:13.55 KOX00766p Score:12.48 KOX00131p Score:12.38 KOX00814p Score:10.85	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
C10H13N2O4 (225)	C10H10NO4 (208)	-NH3
C10H13N2O4 (225)	C8H10NO2 (152)	d
C10H13N2O4 (225)	C7H8NO2 (138)	h
C10H13N2O4 (225)	C6H8NO (110)	b
C10H13N2O4 (225)	C2H4NO2 (74)	g
C10H10NO4 (208)	C10H8NO3 (190)	IT
C10H10NO4 (208)	C9H8NO2 (162)	IT
C10H10NO4 (208)	C8H10NO2 (152)	IT
C10H10NO4 (208)	C7H8NO2 (138)	IT
C10H10NO4 (208)	C6H8NO (110)	IT
C10H8NO3 (190)	C10H6NO2 (172)	IT
C10H8NO3 (190)	C9H8NO2 (162)	IT
C9H8NO2 (162)	C9H5O2 (145)	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。

KOX00748p	225 C10H13N2O4	208 C10H10NO4	190 C10H8NO3	180 C9H10NO3	172 C10H6NO2	166 C8H8NO3	162 C9H8NO2	152 C8H10NO2	145 C9H5O2	138 C7H8NO2	134 C8H8NO	120 C7H6NO	110 C6H8NO	92 C6H6N	80 C5H6N	74 C2H4NO2
225 C10H13N2O4
208 C10H10NO4	H3N
190 C10H8NO3	H5NO	H2O
180 C9H10NO3	CH3NO	CO
172 C10H6NO2	H7NO2	H4O2	H2O
166 C8H8NO3	C2H5NO	C2H2O	C2	CH2
162 C9H8NO2	CH5NO2	CH2O2	CO	H2O
152 C8H10NO2	C2H3NO2	C2O2		CO
145 C9H5O2	CH8N2O2	CH5NO2	CH3NO	H5NO	CHN		H3N
138 C7H8NO2	C3H5NO2	C3H2O2	C3O	C2H2O		CO	C2	CH2
134 C8H8NO	C2H5NO3	C2H2O3	C2O2	CH2O2		O2	CO	H2O
120 C7H6NO	C3H7NO3	C3H4O3	C3H2O2	C2H4O2	C3O	CH2O2	C2H2O	CH4O		H2O	CH2
110 C6H8NO	C4H5NO3	C4H2O3	C4O2	C3H2O2		C2O2	C3O	C2H2O		CO	C2
92 C6H6N	C4H7NO4	C4H4O4	C4H2O3	C3H4O3	C4O2	C2H2O3	C3H2O2	C2H4O2		CH2O2	C2H2O	CO	H2O
80 C5H6N	C5H7NO4	C5H4O4	C5H2O3	C4H4O3	C5O2	C3H2O3	C4H2O2	C3H4O2		C2H2O2	C3H2O	C2O	CH2O	C
74 C2H4NO2	C8H9NO2	C8H6O2	C8H4O	C7H6O	C8H2	C6H4O	C7H4	C6H6		C5H4

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