MassBank:KOX00288p

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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Glucosaminate

IDs and Links
MassBank	Glucosaminate
CAS	3646-68-2
Keio ID	G061+

Top 10 Similar Molecules of Glucosaminate

Ranking	About scoring
KOX00642p Score:19.07 KOX00740p Score:17.43 KOX00083p Score:15 KOX00744p Score:14.92 KOX00499p Score:14.75 KOX00794p Score:12.29 KOX00739p Score:12.29 KOX00292p Score:12.29 KOX00335p Score:9.68 KOX00547p Score:9.2	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
C6H14NO6 (196)	C5H10NO5 (164)	b
C6H14NO6 (196)	C5H12NO4 (150)	a
C6H14NO6 (196)	C2H4NO2 (74)	d
C5H10NO3 (132)	C5H8NO2 (114)	IT
C5H10NO3 (132)	C3H6NO (72)	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。

KOX00288p	196 C6H14NO6	164 C5H10NO5	150 C5H12NO4	133 C5H11NO3	132 C5H10NO3	114 C5H8NO2	103 C5H11O2	96 C5H6NO	85 C4H5O2	74 C2H4NO2	72 C3H6NO	59 C3H7O
196 C6H14NO6
164 C5H10NO5	CH4O
150 C5H12NO4	CH2O2
133 C5H11NO3	CH3O3		HO
132 C5H10NO3	CH4O3	O2	H2O	H
114 C5H8NO2	CH6O4	H2O3	H4O2	H3O	H2O
103 C5H11O2	CH3NO4		HNO2	NO
96 C5H6NO	CH8O5	H4O4	H6O3	H5O2	H4O2	H2O
85 C4H5O2	C2H9NO4	CH5NO3	CH7NO2	CH6NO	CH5NO	CH3N	CH6
74 C2H4NO2	C4H10O4	C3H6O3	C3H8O2	C3H7O	C3H6O	C3H4
72 C3H6NO	C3H8O5	C2H4O4	C2H6O3	C2H5O2	C2H4O2	C2H2O		C2
59 C3H7O	C3H7NO5	C2H3NO4	C2H5NO3	C2H4NO2	C2H3NO2	C2HNO	C2H4O

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