MassBank:KOX00611p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Trehalose 6-phosphate

IDs and Links
MassBank	Trehalose 6-phosphate
CAS	4484-88-2
Keio ID	T065+

Top 10 Similar Molecules of Trehalose 6-phosphate

Ranking	About scoring
KOX00256p Score:28.04 KOX00447p Score:27.53 KOX00241p Score:21.87 KOX00272p Score:21.58 KOX00663p Score:13.27 KOX00736p Score:10.33 KOX00774p Score:9.92 KOX00740p Score:5.72 KOX00907p Score:4.38 KOX00842p Score:4.38	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。

Links

Page list for each fragment

Pages Related to Peak C6H14O9P:   KOX00256p  KOX00272p  KOX00447p   Pages Related to Peak C6H12O8P:   KOX00256p  KOX00447p  KOX00736p   Pages Related to Peak C6H10O7P:   KOX00241p  KOX00256p  KOX00272p  KOX00447p  KOX00774p   Pages Related to Peak C6H8O6P:   KOX00241p  KOX00256p   Pages Related to Peak C11H15O:   KOX00663p   Pages Related to Peak C11H13:   KOX00663p   Pages Related to Peak C6H7O3:   KOX00241p  KOX00272p  KOX00447p  KOX00740p   Pages Related to Peak H4O4P:   KOX00185p  KOX00218p  KOX00241p  KOX00256p  KOX00272p  KOX00447p  KOX00489p  KOX00496p  KOX00501p  KOX00573p  KOX00736p  KOX00741p  KOX00774p  KOX00821p  KOX00833p  KOX00838p  KOX00842p  KOX00907p

Annotations

Precursor	Product	Comments
C12H24O14P (423)	C12H21O10 (325)	b
C12H24O14P (423)	C6H14O9P (261)	a
C12H24O14P (423)	C6H12O8P (243)	a,-H2O
C12H24O14P (423)	C6H13O6 (181)	d
C12H24O14P (423)	H4O4P (99)	c
C6H14O9P (261)	C6H12O8P (243)	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。

KOX00611p	423 C12H24O14P	325 C12H21O10	261 C6H14O9P	243 C6H12O8P	225 C6H10O7P	207 C6H8O6P	181 C6H13O6	163 C11H15O	145 C11H13	127 C6H7O3	99 H4O4P
423 C12H24O14P
325 C12H21O10	H3O4P
261 C6H14O9P	C6H10O5
243 C6H12O8P	C6H12O6		H2O
225 C6H10O7P	C6H14O7		H4O2	H2O
207 C6H8O6P	C6H16O8		H6O3	H4O2	H2O
181 C6H13O6	C6H11O8P	C6H8O4	HO3P
163 C11H15O	CH9O13P	CH6O9
145 C11H13	CH11O14P	CH8O10						H2O
127 C6H7O3	C6H17O11P	C6H14O7	H7O6P	H5O5P	H3O4P	HO3P	H6O3
99 H4O4P	C12H20O10		C6H10O5	C6H8O4	C6H6O3	C6H4O2

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