MassBank:KOX00281p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Glu-Glu

IDs and Links
MassBank	Glu-Glu
CAS	3929-61-1
Keio ID	G043+

Top 10 Similar Molecules of Glu-Glu

Ranking	About scoring
KOX00270p Score:25.77 KOX00259p Score:25.77 KOX00022p Score:25.77 KOX00225p Score:19.83 KOX00733p Score:15.75 KOX00529p Score:15.75 KOX00476p Score:15.75 KOX00268p Score:15.75 KOX00254p Score:15.75 KOX00905p Score:14.89	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
C10H17N2O7 (277)	C10H15N2O6 (259)	-H2O
C10H17N2O7 (277)	C5H10NO4 (148)	a
C10H17N2O7 (277)	C4H8NO2 (102)	e
C10H15N2O6 (259)	C10H13N2O5 (241)	IT
C10H15N2O6 (259)	C9H13N2O4 (213)	IT
C10H15N2O6 (259)	C5H10NO4 (148)	IT
C10H15N2O6 (259)	C5H8NO3 (130)	IT
C10H13N2O5 (241)	C9H13N2O4 (213)	IT
C10H13N2O5 (241)	C9H11N2O3 (195)	IT
C10H13N2O5 (241)	C5H8NO3 (130)	IT
C10H13N2O5 (241)	C4H6NO (84)	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。

KOX00281p	277 C10H17N2O7	259 C10H15N2O6	241 C10H13N2O5	213 C9H13N2O4	195 C9H11N2O3	167 C8H11N2O2	157 C7H9O4	148 C5H10NO4	130 C5H8NO3	102 C4H8NO2	85 C4H5O2	84 C4H6NO	56 C3H6N
277 C10H17N2O7
259 C10H15N2O6	H2O
241 C10H13N2O5	H4O2	H2O
213 C9H13N2O4	CH4O3	CH2O2	CO
195 C9H11N2O3	CH6O4	CH4O3	CH2O2	H2O
167 C8H11N2O2	C2H6O5	C2H4O4	C2H2O3	CH2O2	CO
157 C7H9O4	C3H8N2O3	C3H6N2O2	C3H4N2O	C2H4N2
148 C5H10NO4	C5H7NO3	C5H5NO2	C5H3NO	C4H3N
130 C5H8NO3	C5H9NO4	C5H7NO3	C5H5NO2	C4H5NO	C4H3N			H2O
102 C4H8NO2	C6H9NO5	C6H7NO4	C6H5NO3	C5H5NO2	C5H3NO	C4H3N		CH2O2	CO
85 C4H5O2	C6H12N2O5	C6H10N2O4	C6H8N2O3	C5H8N2O2	C5H6N2O	C4H6N2	C3H4O2	CH5NO2	CH3NO	H3N
84 C4H6NO	C6H11NO6	C6H9NO5	C6H7NO4	C5H7NO3	C5H5NO2	C4H5NO		CH4O3	CH2O2	H2O
56 C3H6N	C7H11NO7	C7H9NO6	C7H7NO5	C6H7NO4	C6H5NO3	C5H5NO2		C2H4O4	C2H2O3	CH2O2		CO

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