MassBank:KOX00774p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Mannitol 1-phosphate

IDs and Links
MassBank	Mannitol 1-phosphate
CAS
Keio ID	M011+

Top 10 Similar Molecules of Mannitol 1-phosphate

Ranking	About scoring
KOX00573p Score:53.79 KOX00447p Score:27.46 KOX00256p Score:25.5 KOX00736p Score:15.89 KOX00272p Score:13.99 KOX00518p Score:13.15 KOX00611p Score:9.92 KOX00241p Score:9.92 KOX00368p Score:9.51 KOX00905p Score:9.32	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
C6H16O9P (263)	C6H14O8P (245)	-H2O
C6H16O9P (263)	C4H12O7P (203)	c
C6H16O9P (263)	C6H13O5 (165)	a
C6H16O9P (263)	H4O4P (99)	b
C6H16O9P (263)	H2O3P (81)	b,-H2O

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。

KOX00774p	263 C6H16O9P	245 C6H14O8P	225 C6H10O7P	203 C4H12O7P	165 C6H13O5	147 C6H11O4	129 C6H9O3	111 C6H7O2	99 H4O4P	85 C4H5O2	81 H2O3P	69 C4H5O	61 C2H5O2	55 C4H7
263 C6H16O9P
245 C6H14O8P	H2O
225 C6H10O7P	H6O2	H4O
203 C4H12O7P	C2H4O2	C2H2O
165 C6H13O5	H3O4P	HO3P
147 C6H11O4	H5O5P	H3O4P			H2O
129 C6H9O3	H7O6P	H5O5P	HO4P		H4O2	H2O
111 C6H7O2	H9O7P	H7O6P	H3O5P		H6O3	H4O2	H2O
99 H4O4P	C6H12O5	C6H10O4	C6H6O3	C4H8O3
85 C4H5O2	C2H11O7P	C2H9O6P	C2H5O5P	H7O5P	C2H8O3	C2H6O2	C2H4O	C2H2
81 H2O3P	C6H14O6	C6H12O5	C6H8O4	C4H10O4					H2O
69 C4H5O	C2H11O8P	C2H9O7P	C2H5O6P	H7O6P	C2H8O4	C2H6O3	C2H4O2	C2H2O		O
61 C2H5O2	C4H11O7P	C4H9O6P	C4H5O5P	C2H7O5P	C4H8O3	C4H6O2	C4H4O	C4H2		C2
55 C4H7	C2H9O9P	C2H7O8P	C2H3O7P	H5O7P	C2H6O5	C2H4O4	C2H2O3	C2O2

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